diff --git "a/data/logp_test.json" "b/data/logp_test.json"
new file mode 100644--- /dev/null
+++ "b/data/logp_test.json"
@@ -0,0 +1 @@
+{"board": "LogP", "n": 2707, "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-A3A69860E9F2", "smiles": "CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1"}, {"compound_id": "LB-6C7841AE3641", "smiles": "CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1"}, {"compound_id": "LB-313C3A91C0BA", "smiles": "CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(N3CCC4(CCc5ccccc54)CC3)s2)cc1"}, {"compound_id": "LB-1F5B8A13AFEC", "smiles": "C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)CCN1.Cl"}, {"compound_id": "LB-CA93A0065911", "smiles": "Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1"}, {"compound_id": "LB-00742BC252AF", "smiles": "COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1"}, {"compound_id": "LB-04C90A3FBB17", "smiles": "Cc1ncc(F)cc1NC(=O)C[C@H](C(=O)N[C@@H]1C(=O)N2CC3(CC3)CN2C(=O)c2ccccc21)C1CC1"}, {"compound_id": "LB-A21B3ECCC0B8", "smiles": "Cc1ncc(F)cc1NC(=O)C[C@H](C(=O)N[C@@H]1C(=O)N2CCCN2C(=O)c2ccccc21)C1CC1"}, {"compound_id": "LB-CE979E3CC4CA", "smiles": "Cc1ncc(F)cc1NC(=O)C[C@@H](C)C(=O)N[C@@H]1C(=O)N2CCCN2C(=O)c2ccccc21"}, {"compound_id": "LB-69081EEB6F54", "smiles": "Cc1ncc(F)cc1NC(=O)C[C@@H](C)C(=O)N[C@@H]1C(=O)N2CCCN2Cc2c(F)cccc21"}, {"compound_id": "LB-91B17256C4F4", "smiles": "Cc1ncc(F)cc1NC(=O)C[C@@H](C)C(=O)N[C@@H]1C(=O)N2CCCN2Cc2ccccc21"}, {"compound_id": "LB-5995E9E1CB8F", "smiles": "CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(/C=C/c4c(Cl)cccc4Cl)oc23)[C@H](O)C1"}, {"compound_id": "LB-BC6F8155C389", "smiles": "Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCCC2)NC3=O)ncn1"}, {"compound_id": "LB-8D7F5DB2AEAE", "smiles": "Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1"}, {"compound_id": "LB-D0668860081C", "smiles": "CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n21"}, {"compound_id": "LB-FE9D30090C56", "smiles": "Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCC2)NC3=O)ncn1"}, {"compound_id": "LB-11EF95F9A653", "smiles": "Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1"}, {"compound_id": "LB-24A48B7CE901", "smiles": "CCN(CC)Cc1ccc(NC(=O)c2n[nH]cc2Nc2ncnc3[nH]ccc23)cc1"}, {"compound_id": "LB-265842A159FD", "smiles": "O=C(Nc1ccc(CN2CCNCC2)cc1)c1n[nH]cc1Nc1ncnc2[nH]ccc12"}, {"compound_id": "LB-4D45DE34C4A5", "smiles": "CN1CCCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1"}, {"compound_id": "LB-276B29EB0744", "smiles": "O=C(Nc1ccc(CNC2CC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12"}, {"compound_id": "LB-EEA6478EDA9D", "smiles": "CCN(CC)Cc1ccc(NC(=O)c2n[nH]cc2Nc2ncnc3sccc23)cc1"}, {"compound_id": "LB-E40A5C018234", "smiles": "O=C(Nc1ccc(CN2CCNCC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12"}, {"compound_id": "LB-1972D38FDC37", "smiles": "CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCNC(=O)c3cc(NC(=O)c4cc(NC(=O)c5cc(NC(=O)CCCNC(=O)c6cc(NC(=O)c7cc(NC(=O)c8cc(NC(=O)CCNC(=O)c9nc(NC(=O)c%10cc(NC(=O)CCNC(=S)Nc%11ccc(-c%12c%13ccc(=O)cc-%13oc%13cc(O)ccc%12%13)c(C(=O)O)c%11)cn%10C)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C"}, {"compound_id": "LB-D3EA53962663", "smiles": "CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCNC(=O)c3cc(NC(=O)c4cc(NC(=O)c5cc(NC(=O)CCCNC(=O)c6cc(NC(=O)c7cc(NC(=O)c8cc(NC(=O)CCNC(=O)c9nc(NC(=O)c%10nc(NC(=O)CCNC(=S)Nc%11ccc(-c%12c%13ccc(=O)cc-%13oc%13cc(O)ccc%12%13)c(C(=O)O)c%11)cn%10C)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C"}, {"compound_id": "LB-F6295D812E3B", "smiles": "CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCNC(=O)c3cc(NC(=O)c4cc(NC(=O)c5cc(NC(=O)CCCNC(=O)c6cc(NC(=O)c7cc(NC(=O)c8nc(NC(=O)CCNC(=O)c9nc(NC(=O)c%10nc(NC(=O)CCNC(=S)Nc%11ccc(-c%12c%13ccc(=O)cc-%13oc%13cc(O)ccc%12%13)c(C(=O)O)c%11)cn%10C)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C"}, {"compound_id": "LB-0C277616F62D", "smiles": "CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCNC(=O)c3cc(NC(=O)c4cc(NC(=O)c5cc(NC(=O)CCCNC(=O)c6cc(NC(=O)c7nc(NC(=O)c8nc(NC(=O)CCNC(=O)c9nc(NC(=O)c%10nc(NC(=O)CCNC(=S)Nc%11ccc(-c%12c%13ccc(=O)cc-%13oc%13cc(O)ccc%12%13)c(C(=O)O)c%11)cn%10C)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C"}, {"compound_id": "LB-72698871CDDF", "smiles": "CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCNC(=O)c3cc(NC(=O)c4cc(NC(=O)c5cc(NC(=O)CCCNC(=O)c6nc(NC(=O)c7nc(NC(=O)c8nc(NC(=O)CCNC(=O)c9nc(NC(=O)c%10nc(NC(=O)CCNC(=S)Nc%11ccc(-c%12c%13ccc(=O)cc-%13oc%13cc(O)ccc%12%13)c(C(=O)O)c%11)cn%10C)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C"}, {"compound_id": "LB-50775C701A76", "smiles": "C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(-c5ccc(F)c(C(F)(F)F)c5)cn4CCN4CCCC4)CC3)c21"}, {"compound_id": "LB-8A7BCEE8144D", "smiles": "C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCN4CCCC4)CC3)c21"}, {"compound_id": "LB-49EB96AD1A44", "smiles": "C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(C5CCOCC5)cn4CCN4CCCC4)CC3)c21"}, {"compound_id": "LB-A859CF6EE3A9", "smiles": "C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(CCC(F)(F)F)cn4CCN4CCCC4)CC3)c21"}, {"compound_id": "LB-66F232B70736", "smiles": "CCCCCCCCCCn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O"}, {"compound_id": "LB-47A6C38BACEF", "smiles": "CCCCCCn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O"}, {"compound_id": "LB-21A576F9DB1C", "smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(CCCCCCCCCC)c1=O"}, {"compound_id": "LB-2F87BB3109D8", "smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(CCCCCC)c1=O"}, {"compound_id": "LB-0582E9D88CAB", "smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(CCC)c1=O"}, {"compound_id": "LB-F2AAF4496CC1", "smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(CC)c1=O"}, {"compound_id": "LB-98B3670E31D8", "smiles": "N#Cc1ccc(F)cc1Cn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(F)cc(F)c2)c1=O"}, {"compound_id": "LB-E61C2D5E3864", "smiles": "Cc1cc(C)cc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2=O)c1"}, {"compound_id": "LB-C1F7DF79D6FA", "smiles": "COc1c(Br)c(Br)c(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2=O)c(Br)c1OC"}, {"compound_id": "LB-385C1287D4F4", "smiles": "COc1cc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2=O)c(Br)c(Br)c1OC"}, {"compound_id": "LB-332DB2B39F3F", "smiles": "COc1cc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2=O)cc(Br)c1OC"}, {"compound_id": "LB-B355B788D3F9", "smiles": "COc1ccc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2=O)cc1OC"}, {"compound_id": "LB-005DF9B5A7E5", "smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(F)cc(F)c2)c1=O"}, {"compound_id": "LB-C1564465C21E", "smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(C)cc(C)c2)c1=O"}, {"compound_id": "LB-3DDE8FC2A7E1", "smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c1=O"}, {"compound_id": "LB-4B122F3E3075", "smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(OC)c(OC)c(Br)c2Br)c1=O"}, {"compound_id": "LB-0E42B1FE7DE8", "smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cc(Br)c(OC)c(OC)c2)c1=O"}, {"compound_id": "LB-8E07596CC058", "smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc(OC)c(OC)c2)c1=O"}, {"compound_id": "LB-32E7D2510B3E", "smiles": "COc1cccc(C2(O)CC(C(F)(F)F)=NN2C(=O)Cc2ccccc2)c1"}, {"compound_id": "LB-227DFED9C5AC", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"}, {"compound_id": "LB-F72DD3357C9A", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccc(F)c(F)c3)o2)cc1"}, {"compound_id": "LB-A58C1224259D", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccc(C(F)(F)F)c(F)c3)o2)cc1"}, {"compound_id": "LB-43D7DA016F36", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccc(OCC(F)(F)F)cc3F)o2)cc1"}, {"compound_id": "LB-F7B392FCA785", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3cc(F)cc(OCC(F)(F)F)c3)o2)cc1"}, {"compound_id": "LB-27B0EC892FA7", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)cc1"}, {"compound_id": "LB-5646D4EAE75B", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1"}, {"compound_id": "LB-07B906D4117E", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3cccc(N4CCOCC4)c3)o2)cc1"}, {"compound_id": "LB-D49295881369", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)cc1"}, {"compound_id": "LB-5966C57C7DA3", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3cccc(-c4ccccn4)c3)o2)cc1"}, {"compound_id": "LB-FEC4DD709DC5", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccc(-c4ccccn4)cc3)o2)cc1"}, {"compound_id": "LB-8535CE41E0D8", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3cc(F)cc(-c4ccccn4)c3)o2)cc1"}, {"compound_id": "LB-6347D759CFA4", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccc(-c4ccccn4)cc3F)o2)cc1"}, {"compound_id": "LB-C8374A62FD59", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3cc(-c4ccccn4)ccc3F)o2)cc1"}, {"compound_id": "LB-608C9BBE6652", "smiles": "CS(=O)(=O)c1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H](Cn4ccnc4)c4ccc(Cl)cc4Cl)cc3)o2)cc1Cl"}, {"compound_id": "LB-11C05137BFBA", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3cc(F)cc(-c4ncncc4F)c3)o2)cc1"}, {"compound_id": "LB-65B56461DD0D", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"}, {"compound_id": "LB-9A598A0910A9", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C"}, {"compound_id": "LB-2DC552C69F66", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"}, {"compound_id": "LB-0967E3A533A1", "smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C"}, {"compound_id": "LB-9D5D08F8D4D3", "smiles": "CC1=NN2C(=O)C(C)Oc3c(Cl)cc(Cl)cc3C2C1"}, {"compound_id": "LB-043B119C7E27", "smiles": "CCC1Oc2c(Cl)cc(Cl)cc2C2CC(C)=NN2C1=O"}, {"compound_id": "LB-9EE231D49846", "smiles": "CCC1Oc2c(Br)cc(Br)cc2C2CC(C)=NN2C1=O"}, {"compound_id": "LB-08562CD70C29", "smiles": "CCC1Oc2ccc(Cl)cc2C2CC(C)=NN2C1=O"}, {"compound_id": "LB-7F30AB91D575", "smiles": "CCC1Oc2ccc(Br)cc2C2CC(C)=NN2C1=O"}, {"compound_id": "LB-A17980CC964A", "smiles": "CC1=NN2C(=O)C(C)Oc3c(Br)cc(Cl)cc3C2C1"}, {"compound_id": "LB-D1A38C1AFA62", "smiles": "CCC1Oc2c(Br)cc(Cl)cc2C2CC(C)=NN2C1=O"}, {"compound_id": "LB-A5CD31395B97", "smiles": "COc1cc(N2C(=O)/C(=C\\c3ccccc3)C2(C(=O)NC(C)(C)C)c2cc(F)cc(F)c2)cc(OC)c1OC"}, {"compound_id": "LB-F572EA53391D", "smiles": "COc1cc(N2C(=O)/C(=C\\c3ccccc3)C2(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc(OC)c1OC"}, {"compound_id": "LB-D6E3EF92DB54", "smiles": "COc1cc(NC2(c3cccc(Cl)c3)C(=O)N(C(C)(C)C)C(=O)/C2=C/c2ccccc2)cc(OC)c1OC"}, {"compound_id": "LB-68BFB5DEFC49", "smiles": "COc1ccc(NC2(c3cccc(Cl)c3)C(=O)N(C3CCCCC3)C(=O)/C2=C/c2ccccc2)cc1OC"}, {"compound_id": "LB-37353A876844", "smiles": "COc1ccc(C(C(=O)NC2CCCCC2)N2C(=O)C(c3ccc(C(F)(F)F)cc3)=C(c3ccccc3)C23C=CC(=O)C=C3)c(OC)c1OC"}, {"compound_id": "LB-DCB3422293D5", "smiles": "O=C1C=CC2(C=C1)C(c1ccccc1)=CC(=O)N2C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1"}, {"compound_id": "LB-8FCF5A1DFDD6", "smiles": "O=C1C=C[C@]23C(c4ccccc4)=CC(=O)N2[C@H](c2ccc(C(F)(F)F)cc2)C(=O)N[C@@H]3C1"}, {"compound_id": "LB-620AAB13354F", "smiles": "O=C1C=C[C@]23C(c4ccccc4)=CC(=O)N2[C@H](c2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H]3C1"}, {"compound_id": "LB-28EBF81C8152", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccc(N3CCOCC3)cc21"}, {"compound_id": "LB-35DB3F289D55", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccc(N3CCOCC3)c(F)c21"}, {"compound_id": "LB-8A5B9E54139F", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2c(F)cc(N3CCOCC3)cc21"}, {"compound_id": "LB-76A824A1ED69", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N3CCOCC3)c(F)c21"}, {"compound_id": "LB-D84614E98D97", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2c(F)c(F)c(N3CCOCC3)cc21"}, {"compound_id": "LB-7B626363C6C9", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(OC)c(N3CCOCC3)cc21"}, {"compound_id": "LB-E1219D3323A4", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(C(F)(F)F)c(N3CCOCC3)cc21"}, {"compound_id": "LB-34A4D41C8786", "smiles": "O=C(NCc1ccccc1)c1cn(CCCOCc2ccccc2)c2cc(N3CCOCC3)c(F)cc2c1=O"}, {"compound_id": "LB-DA56B727F161", "smiles": "CCCCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2cc(F)c(N3CCOCC3)cc21"}, {"compound_id": "LB-803F7B55DE22", "smiles": "CCCCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2c(F)cc(N3CCOCC3)cc21"}, {"compound_id": "LB-052559E9F2DB", "smiles": "O=C(NCc1ccccc1)c1cn(CCCO)c2cc(N3CCOCC3)c(F)cc2c1=O"}, {"compound_id": "LB-A15CECDDDA5D", "smiles": "O=C(NCc1ccccc1)c1cn(CCCF)c2cc(N3CCOCC3)c(F)cc2c1=O"}, {"compound_id": "LB-055115526D03", "smiles": "CC(C(=O)Nc1ccc2c(c1)COC2=O)c1ccc(C(=O)c2ccccc2)cc1"}, {"compound_id": "LB-75EBAAA7D777", "smiles": "O=C(Cc1ccc(F)c2ccccc12)Nc1ccc2c(c1)COC2=O"}, {"compound_id": "LB-061C70C9AE99", "smiles": "Cc1nnc(-c2ccc(OCc3cnnn3Cc3ccccc3F)cc2)o1"}, {"compound_id": "LB-C682355B7110", "smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2"}, {"compound_id": "LB-688104D2928C", "smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](Cc4ccccc4)C(=O)O)cc32)c(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)O"}, {"compound_id": "LB-7F07A1DC5894", "smiles": "COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)O)cc32)c1C"}, {"compound_id": "LB-EAFEB81A49DB", "smiles": "COC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c1C)C(=O)N2"}, {"compound_id": "LB-DEA3538C2C39", "smiles": "COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c1C)C(=O)N2"}, {"compound_id": "LB-39676FE2B73E", "smiles": "COC(=O)CC[C@H](NC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(C(=O)N[C@H](Cc4ccccc4)C(=O)O)cc32)c1C)C(=O)OC"}, {"compound_id": "LB-D0FD5E91B1BB", "smiles": "COC(=O)CC[C@H](NC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)c1C)C(=O)N2)C(=O)OC"}, {"compound_id": "LB-7D0453E87A55", "smiles": "COC(=O)CC[C@@H](NC(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)c1C)C(=O)N2)C(=O)OC"}, {"compound_id": "LB-398818F88613", "smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O"}, {"compound_id": "LB-206826D48E12", "smiles": "COC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O"}, {"compound_id": "LB-36D9D0ACBCE7", "smiles": "CCOC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O"}, {"compound_id": "LB-F94A3D115062", "smiles": "CCCOC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O"}, {"compound_id": "LB-22F4E9BF57D6", "smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C"}, {"compound_id": "LB-68723EC60D44", "smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)OCC[Si](C)(C)C)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@H](n3cc(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nn3)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C"}, {"compound_id": "LB-12D4CC112520", "smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@H](NC(=O)OCc3ccccc3)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C.[Na+]"}, {"compound_id": "LB-2317884D4165", "smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C.[Na+]"}, {"compound_id": "LB-45C0AB449B9A", "smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@H](NC(=O)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C.[Na+]"}, {"compound_id": "LB-689B15879154", "smiles": "CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@H](NC(=O)c3ccccc3F)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C.[Na+]"}, {"compound_id": "LB-1A5E1A913D2E", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(CN2CCOCC2)c1"}, {"compound_id": "LB-9E3A1AC3EAE4", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@H](O)C2)c(-c2cncnc2)c1"}, {"compound_id": "LB-21DE76A277E6", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1"}, {"compound_id": "LB-2B7D758D50C1", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cncnc2)c1"}, {"compound_id": "LB-2EFC4030A6AB", "smiles": "COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1"}, {"compound_id": "LB-33FC2AF9391C", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(NCCCO)c(-c2cncnc2)c1"}, {"compound_id": "LB-B0A9E05441D0", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1"}, {"compound_id": "LB-FB9F92D8C1B2", "smiles": "O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1"}, {"compound_id": "LB-D9BFC1B82C1B", "smiles": "O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1"}, {"compound_id": "LB-B559FC3A1315", "smiles": "O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2C[C@H](O)[C@@H](O)C2)c(-c2cncnc2)c1"}, {"compound_id": "LB-0504C5D1090A", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1"}, {"compound_id": "LB-0830EA73B335", "smiles": "C[C@@]1(O)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccn[nH]2)C1"}, {"compound_id": "LB-272A2C564EE0", "smiles": "O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2[nH]ncc2F)c1"}, {"compound_id": "LB-013F75BACD02", "smiles": "O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc[nH]n2)c1"}, {"compound_id": "LB-46B1E561D057", "smiles": "CCc1ccc(S(=O)(=O)NCCN2C(=O)C(c3ccc(O)cc3)=C(c3ccc(F)cc3)C2=O)cc1"}, {"compound_id": "LB-785627FC11CB", "smiles": "CCc1ccc(S(=O)(=O)NCCCN2C(=O)C(c3ccc(O)cc3)=C(c3ccc(F)cc3)C2=O)cc1"}, {"compound_id": "LB-E1C3D9B439C6", "smiles": "O=C1C(c2ccc(O)cc2)=C(c2ccc(F)cc2)C(=O)N1CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1"}, {"compound_id": "LB-6CA3BDD07991", "smiles": "O=C1C(c2ccc(O)cc2)=C(c2ccc(F)cc2)C(=O)N1CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1"}, {"compound_id": "LB-1D96B59C5870", "smiles": "Cc1ccc(S(=O)(=O)NCCCCN2C(=O)C(c3ccc(F)cc3)=C(c3ccc(OCC(=O)NCC(=O)NCC(=O)O)cc3)C2=O)cc1"}, {"compound_id": "LB-BF992F2C63F5", "smiles": "CCc1ccc(S(=O)(=O)NCCCCN2C(=O)C(c3ccc(F)cc3)=C(c3ccc(OCC(=O)NCC(=O)NCC(=O)O)cc3)C2=O)cc1"}, {"compound_id": "LB-933F93B76E1E", "smiles": "O=C1C(c2ccc(O)cc2)=C(c2ccc(F)cc2)C(=O)N1CCC(O)(c1ccccc1)c1ccccc1"}, {"compound_id": "LB-8B126A262AB0", "smiles": "OC[C@H]1OC(Sc2c(F)c(F)c(-c3c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c(-c5c(F)c(F)c(F)c(F)c5F)c5nc(c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc3[nH]6)C=C5)C=C4)c(F)c2F)[C@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-B81E5C399E03", "smiles": "OC[C@H]1OC(O)[C@H](Sc2c(F)c(F)c(-c3c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c(-c5c(F)c(F)c(F)c(F)c5F)c5nc(c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc3[nH]6)C=C5)C=C4)c(F)c2F)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-6F0FEE644A2B", "smiles": "OC[C@H]1OC(O)[C@H](O)[C@@H](Sc2c(F)c(F)c(-c3c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c(-c5c(F)c(F)c(F)c(F)c5F)c5nc(c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc3[nH]6)C=C5)C=C4)c(F)c2F)[C@@H]1O"}, {"compound_id": "LB-DE4B6B7B2E3A", "smiles": "OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1Sc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F"}, {"compound_id": "LB-E672B505540B", "smiles": "OC1O[C@H](CSc2c(F)c(F)c(-c3c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c(-c5c(F)c(F)c(F)c(F)c5F)c5nc(c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc3[nH]6)C=C5)C=C4)c(F)c2F)[C@@H](O)[C@H](O)[C@H]1O"}, {"compound_id": "LB-BC55EF0FB0B8", "smiles": "OCCOc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(OCCO)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F"}, {"compound_id": "LB-2F63E4F0CEE7", "smiles": "OCCOc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(OCCO)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F"}, {"compound_id": "LB-10F1B95FA0DB", "smiles": "OCCOc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(OCCO)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(OCCO)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F"}, {"compound_id": "LB-F8F78E2B976B", "smiles": "CCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)N(CCC(=O)O)CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-F61B3806D5C8", "smiles": "CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)N(CCC(=O)O)CCC(=O)O)[C@@H]4C)c(C)c3C(C)OC"}, {"compound_id": "LB-8D1B9D09DA48", "smiles": "C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)N(CCC(=O)OC)CCC(=O)OC)[C@@H]3C"}, {"compound_id": "LB-21AF022731AF", "smiles": "CCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)N(CCC(=O)O)CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-B4BFF5825708", "smiles": "CCOC(=O)C1C(=O)C=C(Nc2ccccc2N2CCN(C)CC2)CC1C"}, {"compound_id": "LB-482A51C1A276", "smiles": "COC(=O)C1C(=O)C=C(Nc2ccc(N3CCN(C)CC3)cc2)CC1c1ccccc1"}, {"compound_id": "LB-E43DA4D91550", "smiles": "CCOC(=O)C1C(=O)C=C(Nc2ccc(N3CCN(C)CC3)cc2)CC1c1ccccc1"}, {"compound_id": "LB-09D1DFA3E9C8", "smiles": "CCOC(=O)C1C(=O)C=C(Nc2ccc(N3CCN(C)CC3)cc2)CC1C"}, {"compound_id": "LB-2965C15BC1EF", "smiles": "CCOC(=O)C1C(=O)C=C(Nc2cccc(N3CCN(C)CC3)c2)CC1C"}, {"compound_id": "LB-77EC0C16E8A4", "smiles": "CCOC(=O)C1C(=O)C=C(Nc2ccc(N3CCN(CC)CC3)cc2)CC1c1ccccc1"}, {"compound_id": "LB-38FCA8605BF3", "smiles": "CCOC(=O)C1C(=O)C=C(Nc2ccc(N3CCN(CC)CC3)cc2)CC1C"}, {"compound_id": "LB-8A43BCCDAF14", "smiles": "CCN1CCN(c2ccc(NC3=CC(=O)C(C(=O)OC)C(C)C3)cc2)CC1"}, {"compound_id": "LB-FE909B630445", "smiles": "CCN1CCN(c2ccc(NC3=CC(=O)C(C(=O)OC)C(c4ccccc4)C3)cc2)CC1"}, {"compound_id": "LB-0CF32AADB813", "smiles": "COC(=O)C1C(=O)C=C(Nc2ccc(N3CCN(C)CC3)cc2)CC1C"}, {"compound_id": "LB-C00377DBE711", "smiles": "COC(=O)C1C(=O)C=C(Nc2cccc(N3CCN(C)CC3)c2)CC1C"}, {"compound_id": "LB-A1F333337542", "smiles": "COC(=O)C1C(=O)C=C(Nc2cccc(N3CCN(C)CC3)c2)CC1c1ccccc1"}, {"compound_id": "LB-E67E5755E662", "smiles": "CCOC(=O)C1C(=O)C=C(Nc2cccc(N3CCN(C)CC3)c2)CC1c1ccccc1"}, {"compound_id": "LB-A933D4F1D496", "smiles": "COC(=O)C1C(=O)C=C(Nc2ccccc2N2CCN(C)CC2)CC1c1ccccc1"}, {"compound_id": "LB-455B691B1C92", "smiles": "CCOC(=O)C1C(=O)C=C(Nc2ccccc2N2CCN(C)CC2)CC1c1ccccc1"}, {"compound_id": "LB-85D5635439E1", "smiles": "COC(=O)C1C(=O)C=C(Nc2ccccc2N2CCN(C)CC2)CC1C"}, {"compound_id": "LB-2A02A8F69D9B", "smiles": "COC(=O)CN(c1ccc(C(C)(C)O)cc1)S(=O)(=O)c1ccccc1"}, {"compound_id": "LB-6C46C0FD0DBC", "smiles": "COC(=O)CN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1"}, {"compound_id": "LB-D9CE1224B0B1", "smiles": "COCCN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1"}, {"compound_id": "LB-54B27498B86F", "smiles": "C[Si](C)(O)c1ccc(N(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1"}, {"compound_id": "LB-3228324D20D4", "smiles": "C[Si](C)(O)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1"}, {"compound_id": "LB-C69A4A662EBD", "smiles": "CCCCN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1"}, {"compound_id": "LB-CD748770F6CB", "smiles": "CCN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1"}, {"compound_id": "LB-1039DD28A128", "smiles": "CN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1"}, {"compound_id": "LB-7F56EB7ACB0E", "smiles": "C[Si](C)(O)c1ccc(NS(=O)(=O)c2ccccc2)cc1"}, {"compound_id": "LB-B19A9AD53A75", "smiles": "CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O"}, {"compound_id": "LB-23D5BE75CDE0", "smiles": "COc1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2Cc1ccc2c(c1)OCO2"}, {"compound_id": "LB-833DD6A9BE69", "smiles": "COc1ccc2c(c1)nc(-c1ccccc1OC)n2Cc1ccccc1OC"}, {"compound_id": "LB-6E865E20F84A", "smiles": "COc1ccc2c(c1)nc(-c1ccc(F)cc1)n2Cc1ccc(F)cc1"}, {"compound_id": "LB-1965088E85DA", "smiles": "c1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2Cc1ccc2c(c1)OCO2"}, {"compound_id": "LB-70DDC53875B7", "smiles": "Fc1ccc(Cn2c(-c3ccc(F)cc3)nc3ccccc32)cc1"}, {"compound_id": "LB-19C26E39D804", "smiles": "COc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1"}, {"compound_id": "LB-1C104D2582C3", "smiles": "COc1cc(-c2cn(C)nc2C)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-C5F4DE1B0E1E", "smiles": "COc1cc(-c2cnn(C)c2C)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-289A17467276", "smiles": "COc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-2B1327FA5EA4", "smiles": "COc1cc(-c2nncn2C)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-0F90200A4955", "smiles": "COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-2E6829545001", "smiles": "COc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-E3102033672A", "smiles": "COc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-6061C5A9BB1E", "smiles": "CCOc1cc(-c2nnc(C)n2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-B9171720CF21", "smiles": "COc1cc(-c2nnc3n2CCC3)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-AEA1C5C5C77D", "smiles": "CCOc1cc(-c2nnc3n2CCC3)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-F5D6A79B4677", "smiles": "CCOc1cc(-c2nnc(CCN(C)C)n2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-687F17A8A225", "smiles": "CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(N3CC4(CCOCC4)C3)c2n1"}, {"compound_id": "LB-A9894C20C93D", "smiles": "CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(N3CC(C)(C#N)C3)c2n1"}, {"compound_id": "LB-8EEA3526F6A3", "smiles": "CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(N[C@@H](C)C(C)(C)C)c2n1"}, {"compound_id": "LB-820EED8F1F13", "smiles": "CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(N3CCCC3)c2n1"}, {"compound_id": "LB-479506C42236", "smiles": "CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(N3CC(C)(C)C3)c2n1"}, {"compound_id": "LB-DF57FB6A79CA", "smiles": "CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(N3CCC3(C)C)c2n1"}, {"compound_id": "LB-5ED9F536C1D2", "smiles": "CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1"}, {"compound_id": "LB-39221A4867F2", "smiles": "O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]"}, {"compound_id": "LB-84DD294FFBE0", "smiles": "O=C(O)CCCCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12"}, {"compound_id": "LB-DCCC763B89AB", "smiles": "COCCOCCOCCOCCOC(=O)CCCCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12"}, {"compound_id": "LB-AF21394A2B0C", "smiles": "COCCOCCOC(=O)CCCCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12"}, {"compound_id": "LB-58B57F931BC4", "smiles": "O=C(CCCCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)Nc1cccc2cccnc12"}, {"compound_id": "LB-309C3A3A73D4", "smiles": "O=C(CCCCCCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12)Nc1cccc2ccccc12"}, {"compound_id": "LB-85BC846FB5A2", "smiles": "CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)CC#N)CC12CC2"}, {"compound_id": "LB-5359205D0759", "smiles": "CCS(=O)(=O)N1C[C@H](N(C)c2ncnc3[nH]ccc23)C2(CC2)C1"}, {"compound_id": "LB-289307BB40D9", "smiles": "CN(c1ncnc2[nH]ccc12)[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC12CC2"}, {"compound_id": "LB-35007CB6F3E3", "smiles": "O=[N+]([O-])c1ccc(Nc2ccc(NC(=S)Oc3ccc(O)cc3)cc2)cc1"}, {"compound_id": "LB-859467D4BE5B", "smiles": "O=[N+]([O-])c1ccc(Sc2ccc(NC(=S)Oc3ccc(O)cc3)cc2)cc1"}, {"compound_id": "LB-6DF706CC9FCC", "smiles": "CC(=O)Nc1ccc(OC(=S)Nc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1"}, {"compound_id": "LB-DBDC788A70A6", "smiles": "O=[N+]([O-])c1ccc(Oc2ccc(NC(=S)Oc3ccc(O)cc3)cc2)cc1"}, {"compound_id": "LB-756FF34E8734", "smiles": "CC(=O)Nc1ccc(OC(=S)Nc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)cc1"}, {"compound_id": "LB-731F15B20990", "smiles": "CC(=O)Nc1ccc(OC(=S)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1"}, {"compound_id": "LB-ABC66CC3495E", "smiles": "Oc1ccc(OC(=S)Nc2ccc(Nc3ccc(C(F)(F)F)cc3)cc2)cc1"}, {"compound_id": "LB-CA8C9A743D5A", "smiles": "CC(=O)Nc1ccc(OC(=S)Nc2ccc(Nc3ccc(C(F)(F)F)cc3)cc2)cc1"}, {"compound_id": "LB-118D5CE3E0D6", "smiles": "Oc1ccc(OC(=S)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1"}, {"compound_id": "LB-09956B5ACA43", "smiles": "CC(=O)Nc1ccc(OC(=S)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1"}, {"compound_id": "LB-6CBC2601F554", "smiles": "Oc1ccc(OC(=S)Nc2ccc(Sc3ccc(C(F)(F)F)cc3)cc2)cc1"}, {"compound_id": "LB-D6AD307D8DC4", "smiles": "CC(=O)Nc1ccc(OC(=S)Nc2ccc(Sc3ccc(C(F)(F)F)cc3)cc2)cc1"}, {"compound_id": "LB-AEE1248BF32A", "smiles": "Oc1ccc(OC(=S)Nc2ccc(Nc3ccc(C(Cl)(Cl)Cl)cc3)cc2)cc1"}, {"compound_id": "LB-E9218C92E91F", "smiles": "CC(=O)Nc1ccc(OC(=S)Nc2ccc(Nc3ccc(C(Cl)(Cl)Cl)cc3)cc2)cc1"}, {"compound_id": "LB-4CBA46F4DB76", "smiles": "Oc1ccc(OC(=S)Nc2ccc(Oc3ccc(C(Cl)(Cl)Cl)cc3)cc2)cc1"}, {"compound_id": "LB-F69E1377A1CC", "smiles": "CC(=O)Nc1ccc(OC(=S)Nc2ccc(Oc3ccc(C(Cl)(Cl)Cl)cc3)cc2)cc1"}, {"compound_id": "LB-8056F8AF9F1E", "smiles": "Oc1ccc(OC(=S)Nc2ccc(Sc3ccc(C(Cl)(Cl)Cl)cc3)cc2)cc1"}, {"compound_id": "LB-82A81E0EC9CF", "smiles": "CC(=O)Nc1ccc(OC(=S)Nc2ccc(Sc3ccc(C(Cl)(Cl)Cl)cc3)cc2)cc1"}, {"compound_id": "LB-E2C5310E08BB", "smiles": "NC(CCc1ccccc1)c1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(C(N)CCc3ccccc3)nn2)O[C@@H]8Cn2cc(C(N)CCc3ccccc3)nn2)O[C@@H]7Cn2cc(C(N)CCc3ccccc3)nn2)O[C@@H]6Cn2cc(C(N)CCc3ccccc3)nn2)O[C@@H]5Cn2cc(C(N)CCc3ccccc3)nn2)O[C@@H]4Cn2cc(C(N)CCc3ccccc3)nn2)nn1"}, {"compound_id": "LB-FA7C166F5A00", "smiles": "NC(Cc1ccccc1)c1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(C(N)Cc3ccccc3)nn2)O[C@@H]8Cn2cc(C(N)Cc3ccccc3)nn2)O[C@@H]7Cn2cc(C(N)Cc3ccccc3)nn2)O[C@@H]6Cn2cc(C(N)Cc3ccccc3)nn2)O[C@@H]5Cn2cc(C(N)Cc3ccccc3)nn2)O[C@@H]4Cn2cc(C(N)Cc3ccccc3)nn2)nn1"}, {"compound_id": "LB-3AE5C7F3D4BB", "smiles": "NC(CC1CCCCC1)c1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(C(N)CC3CCCCC3)nn2)O[C@@H]8Cn2cc(C(N)CC3CCCCC3)nn2)O[C@@H]7Cn2cc(C(N)CC3CCCCC3)nn2)O[C@@H]6Cn2cc(C(N)CC3CCCCC3)nn2)O[C@@H]5Cn2cc(C(N)CC3CCCCC3)nn2)O[C@@H]4Cn2cc(C(N)CC3CCCCC3)nn2)nn1"}, {"compound_id": "LB-3F1D3D50DFCF", "smiles": "NCCCCCCCc1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(CCCCCCCN)nn2)O[C@@H]8Cn2cc(CCCCCCCN)nn2)O[C@@H]7Cn2cc(CCCCCCCN)nn2)O[C@@H]6Cn2cc(CCCCCCCN)nn2)O[C@@H]5Cn2cc(CCCCCCCN)nn2)O[C@@H]4Cn2cc(CCCCCCCN)nn2)nn1"}, {"compound_id": "LB-6D5056D469BE", "smiles": "CCCCCCC(N)c1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(C(N)CCCCCC)nn2)O[C@@H]8Cn2cc(C(N)CCCCCC)nn2)O[C@@H]7Cn2cc(C(N)CCCCCC)nn2)O[C@@H]6Cn2cc(C(N)CCCCCC)nn2)O[C@@H]5Cn2cc(C(N)CCCCCC)nn2)O[C@@H]4Cn2cc(C(N)CCCCCC)nn2)nn1"}, {"compound_id": "LB-B2AF04C9BCFF", "smiles": "O[C@@H]1[C@@H](O)[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@@H]1[C@@H](Cn1cc(CNCCc9ccccc9)nn1)O2)O[C@@H]8Cn1cc(CNCCc2ccccc2)nn1)O[C@@H]7Cn1cc(CNCCc2ccccc2)nn1)O[C@@H]6Cn1cc(CNCCc2ccccc2)nn1)O[C@@H]5Cn1cc(CNCCc2ccccc2)nn1)O[C@@H]4Cn1cc(CNCCc2ccccc2)nn1)O[C@@H]3Cn1cc(CNCCc2ccccc2)nn1"}, {"compound_id": "LB-31E89CC83C17", "smiles": "O[C@@H]1[C@@H](O)[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@@H]1[C@@H](Cn1cc(CNCc9ccccc9)nn1)O2)O[C@@H]8Cn1cc(CNCc2ccccc2)nn1)O[C@@H]7Cn1cc(CNCc2ccccc2)nn1)O[C@@H]6Cn1cc(CNCc2ccccc2)nn1)O[C@@H]5Cn1cc(CNCc2ccccc2)nn1)O[C@@H]4Cn1cc(CNCc2ccccc2)nn1)O[C@@H]3Cn1cc(CNCc2ccccc2)nn1"}, {"compound_id": "LB-68F7CFB46E3F", "smiles": "O[C@@H]1[C@@H](O)[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@@H]1[C@@H](Cn1cc(CNCC9CCCCC9)nn1)O2)O[C@@H]8Cn1cc(CNCC2CCCCC2)nn1)O[C@@H]7Cn1cc(CNCC2CCCCC2)nn1)O[C@@H]6Cn1cc(CNCC2CCCCC2)nn1)O[C@@H]5Cn1cc(CNCC2CCCCC2)nn1)O[C@@H]4Cn1cc(CNCC2CCCCC2)nn1)O[C@@H]3Cn1cc(CNCC2CCCCC2)nn1"}, {"compound_id": "LB-B95FEF08507E", "smiles": "CCCC(C)CCNCc1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(CNCCC(C)CCC)nn2)O[C@@H]8Cn2cc(CNCCC(C)CCC)nn2)O[C@@H]7Cn2cc(CNCCC(C)CCC)nn2)O[C@@H]6Cn2cc(CNCCC(C)CCC)nn2)O[C@@H]5Cn2cc(CNCCC(C)CCC)nn2)O[C@@H]4Cn2cc(CNCCC(C)CCC)nn2)nn1"}, {"compound_id": "LB-3ABE90ACCEB6", "smiles": "CCCCCCCNCc1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(CNCCCCCCC)nn2)O[C@@H]8Cn2cc(CNCCCCCCC)nn2)O[C@@H]7Cn2cc(CNCCCCCCC)nn2)O[C@@H]6Cn2cc(CNCCCCCCC)nn2)O[C@@H]5Cn2cc(CNCCCCCCC)nn2)O[C@@H]4Cn2cc(CNCCCCCCC)nn2)nn1"}, {"compound_id": "LB-B6E984800CF6", "smiles": "O[C@@H]1[C@@H](O)[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@@H]1[C@@H](Cn1cc(CNCC9CCCC9)nn1)O2)O[C@@H]8Cn1cc(CNCC2CCCC2)nn1)O[C@@H]7Cn1cc(CNCC2CCCC2)nn1)O[C@@H]6Cn1cc(CNCC2CCCC2)nn1)O[C@@H]5Cn1cc(CNCC2CCCC2)nn1)O[C@@H]4Cn1cc(CNCC2CCCC2)nn1)O[C@@H]3Cn1cc(CNCC2CCCC2)nn1"}, {"compound_id": "LB-409C9D0E25BA", "smiles": "CCC(CC)CNCc1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(CNCC(CC)CC)nn2)O[C@@H]8Cn2cc(CNCC(CC)CC)nn2)O[C@@H]7Cn2cc(CNCC(CC)CC)nn2)O[C@@H]6Cn2cc(CNCC(CC)CC)nn2)O[C@@H]5Cn2cc(CNCC(CC)CC)nn2)O[C@@H]4Cn2cc(CNCC(CC)CC)nn2)nn1"}, {"compound_id": "LB-B15E73532B32", "smiles": "CC(C)CCCNCc1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(CNCCCC(C)C)nn2)O[C@@H]8Cn2cc(CNCCCC(C)C)nn2)O[C@@H]7Cn2cc(CNCCCC(C)C)nn2)O[C@@H]6Cn2cc(CNCCCC(C)C)nn2)O[C@@H]5Cn2cc(CNCCCC(C)C)nn2)O[C@@H]4Cn2cc(CNCCCC(C)C)nn2)nn1"}, {"compound_id": "LB-1C443D34986C", "smiles": "CCCCCCNCc1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(CNCCCCCC)nn2)O[C@@H]8Cn2cc(CNCCCCCC)nn2)O[C@@H]7Cn2cc(CNCCCCCC)nn2)O[C@@H]6Cn2cc(CNCCCCCC)nn2)O[C@@H]5Cn2cc(CNCCCCCC)nn2)O[C@@H]4Cn2cc(CNCCCCCC)nn2)nn1"}, {"compound_id": "LB-17DD949C3AB9", "smiles": "O[C@@H]1[C@@H](O)[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@@H]1[C@@H](Cn1cc(CNCC9CCC9)nn1)O2)O[C@@H]8Cn1cc(CNCC2CCC2)nn1)O[C@@H]7Cn1cc(CNCC2CCC2)nn1)O[C@@H]6Cn1cc(CNCC2CCC2)nn1)O[C@@H]5Cn1cc(CNCC2CCC2)nn1)O[C@@H]4Cn1cc(CNCC2CCC2)nn1)O[C@@H]3Cn1cc(CNCC2CCC2)nn1"}, {"compound_id": "LB-33BE87084EA1", "smiles": "CC(C)CCNCc1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(CNCCC(C)C)nn2)O[C@@H]8Cn2cc(CNCCC(C)C)nn2)O[C@@H]7Cn2cc(CNCCC(C)C)nn2)O[C@@H]6Cn2cc(CNCCC(C)C)nn2)O[C@@H]5Cn2cc(CNCCC(C)C)nn2)O[C@@H]4Cn2cc(CNCCC(C)C)nn2)nn1"}, {"compound_id": "LB-69727E3BF1B2", "smiles": "CCCCCNCc1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(CNCCCCC)nn2)O[C@@H]8Cn2cc(CNCCCCC)nn2)O[C@@H]7Cn2cc(CNCCCCC)nn2)O[C@@H]6Cn2cc(CNCCCCC)nn2)O[C@@H]5Cn2cc(CNCCCCC)nn2)O[C@@H]4Cn2cc(CNCCCCC)nn2)nn1"}, {"compound_id": "LB-C8C620300AF5", "smiles": "O[C@@H]1[C@@H](O)[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@@H]1[C@@H](Cn1cc(CNCC9CC9)nn1)O2)O[C@@H]8Cn1cc(CNCC2CC2)nn1)O[C@@H]7Cn1cc(CNCC2CC2)nn1)O[C@@H]6Cn1cc(CNCC2CC2)nn1)O[C@@H]5Cn1cc(CNCC2CC2)nn1)O[C@@H]4Cn1cc(CNCC2CC2)nn1)O[C@@H]3Cn1cc(CNCC2CC2)nn1"}, {"compound_id": "LB-82E2CF0F8C8E", "smiles": "CCCCNCc1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc(CNCCCC)nn2)O[C@@H]8Cn2cc(CNCCCC)nn2)O[C@@H]7Cn2cc(CNCCCC)nn2)O[C@@H]6Cn2cc(CNCCCC)nn2)O[C@@H]5Cn2cc(CNCCCC)nn2)O[C@@H]4Cn2cc(CNCCCC)nn2)nn1"}, {"compound_id": "LB-CD44188531C6", "smiles": "N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)C(N)=O"}, {"compound_id": "LB-73782B2C4B90", "smiles": "NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)C(N)=O"}, {"compound_id": "LB-B2338C296669", "smiles": "N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O"}, {"compound_id": "LB-30B13EE50EF9", "smiles": "NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O"}, {"compound_id": "LB-2CEECB03FA3A", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"}, {"compound_id": "LB-A8F298AB06F7", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"}, {"compound_id": "LB-C6FF73496D0E", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1cnc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"}, {"compound_id": "LB-1C795A719494", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3ccccn3)o2)cc1"}, {"compound_id": "LB-B3FEEB127FE9", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3ccncc3)o2)cc1"}, {"compound_id": "LB-DCAE105E9CE0", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccccc2)cc1Cl)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"}, {"compound_id": "LB-159E27E5AED4", "smiles": "CS(=O)(=O)c1ccc(-c2ccc([C@H](Cn3ccnc3)NC(=O)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)c(Cl)c2)cc1"}, {"compound_id": "LB-BAA75CFBE591", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1c(F)cc(-c2ccc(F)cc2)cc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"}, {"compound_id": "LB-D712DA498D4C", "smiles": "COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)C(=O)CC[C@@H]54)C3)CC2)c1"}, {"compound_id": "LB-EEFD2D63113C", "smiles": "COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](O)CC[C@@H]54)C3)CC2)c1"}, {"compound_id": "LB-7E376BCA3785", "smiles": "COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5CC[C@]4(C)O)C3)CC2)c1"}, {"compound_id": "LB-9397D80C9271", "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CN5CCN(Cc6cccc(OC)c6)CC5)CC[C@]4(C)[C@H]3CC[C@@]21C"}, {"compound_id": "LB-BCC3038C8B6A", "smiles": "COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](O)CC[C@@H]54)C3)CC2)c1"}, {"compound_id": "LB-638F642963F9", "smiles": "COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5CCC4(F)F)C3)CC2)c1"}, {"compound_id": "LB-A1EEF9DEC89B", "smiles": "COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)C(=O)C(C)(C)C[C@@H]54)C3)CC2)c1"}, {"compound_id": "LB-E1F8F1E5F66D", "smiles": "C[C@]12CC[C@](O)(CN3CCN(C(=O)c4ccc(C(=O)c5ccccc5)cc4)CC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"}, {"compound_id": "LB-EBECD681B6E3", "smiles": "Cc1cc(C)cc(C(=O)N2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)C(=O)CC[C@@H]54)C3)CC2)c1"}, {"compound_id": "LB-99846449CE54", "smiles": "CC(=O)c1cccc(C(=O)N2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)C(=O)CC[C@@H]54)C3)CC2)c1"}, {"compound_id": "LB-FE65FF5195EA", "smiles": "C[C@]12CC[C@](O)(CN3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"}, {"compound_id": "LB-541F6687647A", "smiles": "CCN(C)S(=O)(=O)N1CCN(C[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]43)C2)CC1"}, {"compound_id": "LB-26E0FF1E7023", "smiles": "C[C@]12CC[C@](O)(CN3CCN(C(=S)NCc4cccc(C(F)(F)F)c4)CC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"}, {"compound_id": "LB-2E5517115DAF", "smiles": "CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)C(=O)CC[C@@H]54)C3)CC2)cc1"}, {"compound_id": "LB-9D3E545983D8", "smiles": "COc1cc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)C(=O)CC[C@@H]54)C3)CC2)ccc1C"}, {"compound_id": "LB-03E950AF6457", "smiles": "C[C@]12CC[C@](O)(CN3CCN(Cc4cnc5ccccc5c4)CC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"}, {"compound_id": "LB-988F8EA8F52D", "smiles": "CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1.Cl"}, {"compound_id": "LB-F7D08D6977E9", "smiles": "Cc1c(C(=O)NCCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"}, {"compound_id": "LB-5A4BB90AAE4E", "smiles": "Cc1c(C(=O)NCCCN2CCOCC2)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"}, {"compound_id": "LB-E713028DEAB7", "smiles": "Cc1c(OCCO)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"}, {"compound_id": "LB-EF34B6E67C52", "smiles": "Cc1c(OCCCN2CCOCC2)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"}, {"compound_id": "LB-48097E9C14F4", "smiles": "Cc1c(OCC(O)CN2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"}, {"compound_id": "LB-0DA70425C798", "smiles": "Cc1c(OCC(O)CN2CCC(O)CC2)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"}, {"compound_id": "LB-6C056A3AE518", "smiles": "Cc1c(OCC(O)CN2CCOCC2)cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c12"}, {"compound_id": "LB-B96A5714B1D7", "smiles": "CO/N=C(/C)COc1cn2ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c2c1C"}, {"compound_id": "LB-B9B79C579E97", "smiles": "COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC.O=C(O)C[C@H](O)C(=O)O"}, {"compound_id": "LB-096B0C3240A1", "smiles": "O=c1cc(C#CC2(O)CCCCC2)c2ccc(N3CCC(NCCc4ccccc4)CC3)cc2o1"}, {"compound_id": "LB-869D1536B871", "smiles": "O=c1cc(C#Cc2cccnc2)c2ccc(N3CCC(NCCc4ccccc4)CC3)cc2o1"}, {"compound_id": "LB-AC058BA42AC3", "smiles": "O=c1cc(C#Cc2cccc(Cl)c2)c2ccc(N3CCC(NCCc4ccccc4)CC3)cc2o1"}, {"compound_id": "LB-134BB29A3DCB", "smiles": "O=c1cc(C#CC2CCCCC2)c2ccc(N3CCC(NCCc4ccccc4)CC3)cc2o1"}, {"compound_id": "LB-7D2FF8DD1A75", "smiles": "O=c1cc(-c2ccc(Oc3ccccc3)cc2)c2ccc(N3CCC(NCCc4ccccc4)CC3)cc2o1"}, {"compound_id": "LB-6ABB3780A492", "smiles": "O=c1cc(-c2ccc(-c3ccccc3)cc2)c2ccc(N3CCC(NCCc4ccccc4)CC3)cc2o1"}, {"compound_id": "LB-4A0680470665", "smiles": "Cc1cc(-c2cc(=O)oc3cc(N4CCC(NCCc5ccccc5)CC4)ccc23)ccc1C(F)(F)F"}, {"compound_id": "LB-034312ED0E81", "smiles": "Cc1ccc(-c2cc(=O)oc3cc(N4CCC(NCCc5ccccc5)CC4)ccc23)cc1C"}, {"compound_id": "LB-11F377B02520", "smiles": "CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H](C(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1)C(C)C"}, {"compound_id": "LB-62C07AA1B683", "smiles": "Oc1cccc(-c2nccc(N3CCOCC3)n2)c1"}, {"compound_id": "LB-D2772F9475BA", "smiles": "C[C@H]1COCCN1c1ccnc(-c2cccc(O)c2)n1"}, {"compound_id": "LB-53CC9101759B", "smiles": "Oc1cccc(-c2nccc(C3=CCOCC3)n2)c1"}, {"compound_id": "LB-CD24A8912852", "smiles": "Oc1cccc(-c2nccc(C3CCOCC3)n2)c1"}, {"compound_id": "LB-6944FFAF748E", "smiles": "Oc1cccc(-c2nccc(C34CCOCC3C4)n2)c1"}, {"compound_id": "LB-7AD8E379A16F", "smiles": "Oc1cccc(-c2nccc([C@@]34CCOC[C@@H]3C4)n2)c1"}, {"compound_id": "LB-18D6D8D1F088", "smiles": "Oc1cccc(-c2nccc([C@]34CCOC[C@H]3C4)n2)c1"}, {"compound_id": "LB-E9BD16719582", "smiles": "CCNC(=O)Nc1ccc(-c2nccc(N3CCOCC3)n2)cc1"}, {"compound_id": "LB-F07BF888CEF4", "smiles": "CCNC(=O)Nc1ccc(-c2nccc(N3CCOC[C@@H]3C)n2)cc1"}, {"compound_id": "LB-C885D2B892A9", "smiles": "CCNC(=O)Nc1ccc(-c2nccc(C3=CCOCC3)n2)cc1"}, {"compound_id": "LB-D870F867A582", "smiles": "CCNC(=O)Nc1ccc(-c2nccc(C34CCOCC3C4)n2)cc1"}, {"compound_id": "LB-064B0DA395C2", "smiles": "CCNC(=O)Nc1ccc(-c2nccc([C@@]34CCOC[C@@H]3C4)n2)cc1"}, {"compound_id": "LB-38C5F9D315A7", "smiles": "CCNC(=O)Nc1ccc(-c2nccc([C@]34CCOC[C@H]3C4)n2)cc1"}, {"compound_id": "LB-3C6A05D741A6", "smiles": "C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2cccc(O)c2)n1"}, {"compound_id": "LB-4B8A3CA1E862", "smiles": "CS(=O)(=O)Cc1cc(C2=CCOCC2)nc(-c2cccc(O)c2)n1"}, {"compound_id": "LB-F55683525F72", "smiles": "CS(=O)(=O)Cc1cc([C@@]23CCOC[C@@H]2C3)nc(-c2cccc(O)c2)n1"}, {"compound_id": "LB-17E08D956E7B", "smiles": "CS(=O)(=O)Cc1cc([C@]23CCOC[C@H]2C3)nc(-c2cccc(O)c2)n1"}, {"compound_id": "LB-3C6E70FAC949", "smiles": "C[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)nc(-c2cccc(O)c2)n1"}, {"compound_id": "LB-5EF39BE7BBB8", "smiles": "CC(C)(c1cc([C@@]23CCOC[C@@H]2C3)nc(-c2cccc(O)c2)n1)S(C)(=O)=O"}, {"compound_id": "LB-A4BA8B5A24DC", "smiles": "CC(C)(c1cc([C@]23CCOC[C@H]2C3)nc(-c2cccc(O)c2)n1)S(C)(=O)=O"}, {"compound_id": "LB-FE26D4FCD148", "smiles": "CCNC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOCC3)n2)cc1"}, {"compound_id": "LB-4E461910B1BE", "smiles": "CCNC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOC[C@@H]3C)n2)cc1"}, {"compound_id": "LB-AA4A66EC661A", "smiles": "CCNC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc([C@@]34CCOC[C@@H]3C4)n2)cc1"}, {"compound_id": "LB-5A876CFB7A8A", "smiles": "CCNC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc([C@]34CCOC[C@H]3C4)n2)cc1"}, {"compound_id": "LB-A00A0908BDF0", "smiles": "CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)cc(C(C)(C)S(C)(=O)=O)n2)cc1"}, {"compound_id": "LB-64336D762C4A", "smiles": "CCNC(=O)Nc1ccc(-c2nc(C(C)(C)S(C)(=O)=O)cc([C@@]34CCOC[C@@H]3C4)n2)cc1"}, {"compound_id": "LB-C13FA6D64D6A", "smiles": "CCNC(=O)Nc1ccc(-c2nc(C(C)(C)S(C)(=O)=O)cc([C@]34CCOC[C@H]3C4)n2)cc1"}, {"compound_id": "LB-149E85B0A7D5", "smiles": "CNCC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOC[C@@H]3C)n2)cc1"}, {"compound_id": "LB-526065B9F0E3", "smiles": "CNCC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc([C@@]34CCOC[C@@H]3C4)n2)cc1"}, {"compound_id": "LB-B8026A476619", "smiles": "CNCC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc([C@]34CCOC[C@H]3C4)n2)cc1"}, {"compound_id": "LB-2B0EDD556373", "smiles": "CNCC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)cc(C(C)(C)S(C)(=O)=O)n2)cc1"}, {"compound_id": "LB-BD1F0B685BB1", "smiles": "CNCC(=O)Nc1ccc(-c2nc(C(C)(C)S(C)(=O)=O)cc([C@@]34CCOC[C@@H]3C4)n2)cc1"}, {"compound_id": "LB-50DC9FE9D173", "smiles": "CNCC(=O)Nc1ccc(-c2nc(C(C)(C)S(C)(=O)=O)cc([C@]34CCOC[C@H]3C4)n2)cc1"}, {"compound_id": "LB-0C8ED8A05D48", "smiles": "C[C@H]1COCCN1c1cc(C(C)(C)S(C)(=O)=O)nc(-c2ccc(NC(=S)NCCO)cc2)n1"}, {"compound_id": "LB-8B5663B157E6", "smiles": "CC(C)(c1cc([C@@]23CCOC[C@@H]2C3)nc(-c2ccc(NC(=S)NCCO)cc2)n1)S(C)(=O)=O"}, {"compound_id": "LB-FDF2A5530771", "smiles": "CC(C)(c1cc([C@]23CCOC[C@H]2C3)nc(-c2ccc(NC(=S)NCCO)cc2)n1)S(C)(=O)=O"}, {"compound_id": "LB-5C3F0FC3614F", "smiles": "COc1ccc(-n2ccnc2-c2cc(OC)c(OC)c(OC)c2)cc1N"}, {"compound_id": "LB-9BA675065C01", "smiles": "CN1CCN(C(=O)COc2ccc(C(=O)/C=C/c3ccccc3C(F)(F)F)cc2)CC1.Cl"}, {"compound_id": "LB-841A5060A11C", "smiles": "C/C=C/C=C/C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1"}, {"compound_id": "LB-E2AA019C9500", "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1"}, {"compound_id": "LB-BDC07566FBE1", "smiles": "CCCCCCCC/C=C/CCCCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1"}, {"compound_id": "LB-08F1A457FF51", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1-c1ccccc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"}, {"compound_id": "LB-106F21DBB387", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)c2ccccc12)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"}, {"compound_id": "LB-11815A6CF987", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1-c1ccco1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1"}, {"compound_id": "LB-7A86A3D4AAC5", "smiles": "COc1ccc(-c2cc(-c3ccc(F)cc3)ccc2[C@H](Cn2ccnc2)NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1"}, {"compound_id": "LB-CAE176BEBC67", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3cc(Br)cc4ccccc34)o2)cc1"}, {"compound_id": "LB-EDC63DA3FE83", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3cc(-c4ccccn4)ccc3F)o2)cc1"}, {"compound_id": "LB-307187FFBDC8", "smiles": "CS(=O)(=O)c1cc(Br)cc(-c2nnc(-c3ccc(C(=O)N[C@@H](Cn4ccnc4)c4ccc(-c5ccc(F)cc5)cc4Cl)cc3)o2)c1"}, {"compound_id": "LB-F58363F709E2", "smiles": "CS(=O)(=O)c1cc(-c2ccccn2)cc(-c2nnc(-c3ccc(C(=O)N[C@@H](Cn4ccnc4)c4ccc(-c5ccc(F)cc5)cc4Cl)cc3)o2)c1"}, {"compound_id": "LB-D4291D37F5B2", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3cc(F)cc(-c4ccccn4)c3)o2)cc1"}, {"compound_id": "LB-5AA68F9DEB44", "smiles": "O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1Cl)c1ccc(-c2nnc(-c3cc(F)cc(-c4ncncc4F)c3)o2)cc1"}, {"compound_id": "LB-E5793E3AAC2E", "smiles": "CC(C)OC(=O)[C@H](C)N(C(=O)c1ccco1)c1c(Cl)cccc1Cl"}, {"compound_id": "LB-273692399E4A", "smiles": "CCOC(=O)C(C)N(C(=O)c1cccs1)c1c(C)cccc1Cl"}, {"compound_id": "LB-AAF0EBB007EF", "smiles": "Cc1c(C(F)(F)F)nc(-c2ccc(Cl)o2)n1-c1c(Cl)cccc1Cl"}, {"compound_id": "LB-FA58C6D09C19", "smiles": "CC(C)Cc1cn(-c2c(C#N)cccc2C#N)c(-c2cnco2)n1"}, {"compound_id": "LB-8B2D3495BDD2", "smiles": "N#Cc1cccc(C#N)c1-n1cc(C2CC2)nc1-c1cnco1"}, {"compound_id": "LB-DBC85A278EDF", "smiles": "Cc1c(CC(C)C)nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(C(=O)O)C2)c1Cl"}, {"compound_id": "LB-A863BF09B78A", "smiles": "Cc1c(C(F)(F)F)nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(C(=O)O)C2)c1Cl"}, {"compound_id": "LB-AA62479ACBF9", "smiles": "Cc1c(C(F)(F)F)nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(C(N)=O)C2)c1Cl"}, {"compound_id": "LB-6A6EE6B855D8", "smiles": "Cc1c(C(F)(F)F)nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(c3nnn[nH]3)C2)c1Cl"}, {"compound_id": "LB-6BC06539B264", "smiles": "C=C(c1ccc(OC)c(/C=C/C(=O)NO)c1)c1cc(OC)c(OC)c(OC)c1"}, {"compound_id": "LB-56F9134F33C8", "smiles": "C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1/C=C/C(=O)NO"}, {"compound_id": "LB-BD53353C393B", "smiles": "C=C(c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1"}, {"compound_id": "LB-321BC4E0752A", "smiles": "O/N=C1\\c2ccccc2-c2nc3ccccc3nc21"}, {"compound_id": "LB-BAEB31F79BCA", "smiles": "O=c1c2ccccc2nc2n1-c1ccccc1/C2=N\\O"}, {"compound_id": "LB-96DDCBB5B92F", "smiles": "CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-9FD96A4B8B9F", "smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(COC(=O)c6ccccc6C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-E7DAC302B448", "smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(COC(=O)C6CCCCC6C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-43D2728D829E", "smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(COC(=O)CCC(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-A3C6A465DD6B", "smiles": "CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-48486193BE20", "smiles": "CC1(C)CC[C@]2(C(=O)NCC(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-5A834CBE9191", "smiles": "CC1(C)CC[C@]2(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-E88ECECD25D9", "smiles": "CC1(C)CC[C@]2(C(=O)ONC(=O)CCC(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-DAAB93881F8F", "smiles": "C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nccnc5[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O"}, {"compound_id": "LB-AE0EBD08B3FF", "smiles": "CC(C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nccnc5[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O"}, {"compound_id": "LB-95AD0E9EBFE7", "smiles": "CN(C)CCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nccnc5[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"}, {"compound_id": "LB-4864D655F6BF", "smiles": "CC1(C)CC[C@]2(C(=O)OCCN)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-067B2A54661F", "smiles": "COC(=O)CCC(=O)NOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nccnc5[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"}, {"compound_id": "LB-1E1A1C6AD911", "smiles": "CC(C)C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nccnc5[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O"}, {"compound_id": "LB-C95B097DC6C6", "smiles": "CC1(C)CC[C@]2(C(=O)N3CCC[C@H]3C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-91A0762B310B", "smiles": "CSCC[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nccnc5[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O"}, {"compound_id": "LB-9E9EE253E06A", "smiles": "CC1(C)CC[C@]2(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-30259EEF86C2", "smiles": "CC1(C)CC[C@]2(C(=O)N[C@@H](CC(=O)O)C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-81CBC9A6617C", "smiles": "CC1(C)CC[C@]2(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-73A446D1E584", "smiles": "CC1(C)CC[C@]2(C(=O)N[C@@H](CO)C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-F12AA5F9B58A", "smiles": "CC1(C)CC[C@]2(C(=O)On3nnc4cccnc43)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-DC746C681A88", "smiles": "CC1(C)CC[C@]2(C(=O)On3nnc4ccc(Cl)cc43)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-0150EECDF7D9", "smiles": "CC1(C)CC[C@]2(C(=O)On3ccnc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-2A3E30D654AA", "smiles": "CC1(C)CC[C@]2(C(=O)On3nnc4ccccc43)CC[C@]3(C)C(C(=O)C[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-52F9D8E8BD9F", "smiles": "CC1(C)CC[C@]2(C(=O)On3nnc4ccc(Cl)cc43)CC[C@]3(C)C(C(=O)C[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-7E1056DC5828", "smiles": "C=C(c1ccc2c(c1)c1ccccc1n2C)c1cc(C)nc2ccccc12"}, {"compound_id": "LB-459E0EA6A00E", "smiles": "C=C(c1ccc2c(ccn2C)c1)c1cc(C#N)nc2ccccc12"}, {"compound_id": "LB-053F16C4F370", "smiles": "C=C(c1cc(C)nc(C)c1)c1ccc2c(ccn2C)c1"}, {"compound_id": "LB-D2D45D2E5C2A", "smiles": "Cl.O=S(=O)(/C=C/c1ncccc1F)c1ccc(OCCCN2CCOCC2)cc1"}, {"compound_id": "LB-45EEFA776AC0", "smiles": "N#Cc1c(NCCN2CCNCC2)sc(C(=O)c2ccc(Br)s2)c1N"}, {"compound_id": "LB-85DE247AAD40", "smiles": "O=C(O)c1ccc(COc2ccccc2-c2ccccc2)cc1"}, {"compound_id": "LB-F9716DC2A48F", "smiles": "CCC(=O)O[C@@H]1[C@@H](OC(=O)CC)[C@H]2O[C@H]3[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]4[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]5[C@@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H](O[C@H]6[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]7[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]8[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@@H]1[C@@H](Cn1cc(CN)nn1)O2)O[C@@H]8Cn1cc(CN)nn1)O[C@@H]7Cn1cc(CN)nn1)O[C@@H]6Cn1cc(CN)nn1)O[C@@H]5Cn1cc(CN)nn1)O[C@@H]4Cn1cc(CN)nn1)O[C@@H]3Cn1cc(CN)nn1"}, {"compound_id": "LB-2D4C41A41F73", "smiles": "CCC(=O)O[C@@H]1[C@@H](OC(=O)CC)[C@H]2O[C@H]3[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]4[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]5[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]6[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]7[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@@H]1[C@@H](Cn1cc(CN)nn1)O2)O[C@@H]7Cn1cc(CN)nn1)O[C@@H]6Cn1cc(CN)nn1)O[C@@H]5Cn1cc(CN)nn1)O[C@@H]4Cn1cc(CN)nn1)O[C@@H]3Cn1cc(CN)nn1"}, {"compound_id": "LB-6679DFD217AF", "smiles": "NCc1cn(C[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]%10[C@@H](O)[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]%10Cn2cc(CN)nn2)O[C@@H]9Cn2cc(CN)nn2)O[C@@H]8Cn2cc(CN)nn2)O[C@@H]7Cn2cc(CN)nn2)O[C@@H]6Cn2cc(CN)nn2)O[C@@H]5Cn2cc(CN)nn2)O[C@@H]4Cn2cc(CN)nn2)nn1"}, {"compound_id": "LB-F263B48CB665", "smiles": "CC(C)CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H]2O[C@H]3[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H](O[C@H]4[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H](O[C@H]5[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H](O[C@H]6[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H](O[C@H]7[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H](O[C@H]8[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H](O[C@H]9[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H](O[C@@H]1[C@@H](Cn1cc(CN)nn1)O2)O[C@@H]9Cn1cc(CN)nn1)O[C@@H]8Cn1cc(CN)nn1)O[C@@H]7Cn1cc(CN)nn1)O[C@@H]6Cn1cc(CN)nn1)O[C@@H]5Cn1cc(CN)nn1)O[C@@H]4Cn1cc(CN)nn1)O[C@@H]3Cn1cc(CN)nn1"}, {"compound_id": "LB-E22530E2DC18", "smiles": "CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)[C@H]2O[C@H]3[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H](O[C@H]4[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H](O[C@H]5[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H](O[C@H]6[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H](O[C@H]7[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H](O[C@H]8[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H](O[C@H]9[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H](O[C@@H]1[C@@H](Cn1cc(CN)nn1)O2)O[C@@H]9Cn1cc(CN)nn1)O[C@@H]8Cn1cc(CN)nn1)O[C@@H]7Cn1cc(CN)nn1)O[C@@H]6Cn1cc(CN)nn1)O[C@@H]5Cn1cc(CN)nn1)O[C@@H]4Cn1cc(CN)nn1)O[C@@H]3Cn1cc(CN)nn1"}, {"compound_id": "LB-24DB28AB691F", "smiles": "CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCC)[C@H]2O[C@H]3[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](O[C@H]4[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](O[C@H]5[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](O[C@H]6[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](O[C@H]7[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](O[C@H]8[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](O[C@H]9[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](O[C@@H]1[C@@H](Cn1cc(CN)nn1)O2)O[C@@H]9Cn1cc(CN)nn1)O[C@@H]8Cn1cc(CN)nn1)O[C@@H]7Cn1cc(CN)nn1)O[C@@H]6Cn1cc(CN)nn1)O[C@@H]5Cn1cc(CN)nn1)O[C@@H]4Cn1cc(CN)nn1)O[C@@H]3Cn1cc(CN)nn1"}, {"compound_id": "LB-49D955CAE484", "smiles": "CCC(=O)O[C@@H]1[C@@H](OC(=O)CC)[C@H]2O[C@H]3[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]4[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]5[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]6[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]7[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]8[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@H]9[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](O[C@@H]1[C@@H](Cn1cc(CN)nn1)O2)O[C@@H]9Cn1cc(CN)nn1)O[C@@H]8Cn1cc(CN)nn1)O[C@@H]7Cn1cc(CN)nn1)O[C@@H]6Cn1cc(CN)nn1)O[C@@H]5Cn1cc(CN)nn1)O[C@@H]4Cn1cc(CN)nn1)O[C@@H]3Cn1cc(CN)nn1"}, {"compound_id": "LB-DAA4BAF30ECA", "smiles": "CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2O[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O[C@H]4[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O[C@H]5[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O[C@H]6[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O[C@H]7[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O[C@H]8[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O[C@H]9[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O[C@@H]1[C@@H](Cn1cc(CN)nn1)O2)O[C@@H]9Cn1cc(CN)nn1)O[C@@H]8Cn1cc(CN)nn1)O[C@@H]7Cn1cc(CN)nn1)O[C@@H]6Cn1cc(CN)nn1)O[C@@H]5Cn1cc(CN)nn1)O[C@@H]4Cn1cc(CN)nn1)O[C@@H]3Cn1cc(CN)nn1"}, {"compound_id": "LB-EBC75F78C51A", "smiles": "Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc2c(c1)CS(=O)(=O)N2)CC3.O=C(O)C(F)(F)F"}, {"compound_id": "LB-62800B1E4FCA", "smiles": "Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)cc1)CC3"}, {"compound_id": "LB-D7AD27B96092", "smiles": "Cc1cc(C(=O)N2CCc3c(c(=O)oc4c(C)c(N5CCN(C)CC5)ccc34)C2)ccc1NS(C)(=O)=O"}, {"compound_id": "LB-C1C32A332AB4", "smiles": "COc1cc(C(=O)N2CCc3c(c(=O)oc4c(C)c(N5CCN(C)CC5)ccc34)C2)ccc1NS(C)(=O)=O"}, {"compound_id": "LB-438D72C00AB0", "smiles": "Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(F)c1)CC3"}, {"compound_id": "LB-87FC25B4BEAF", "smiles": "Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)CC3"}, {"compound_id": "LB-2F65A8621E45", "smiles": "Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Br)c1)CC3"}, {"compound_id": "LB-B96339BB76DF", "smiles": "Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3"}, {"compound_id": "LB-85FC47325781", "smiles": "Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1cc(Cl)cc(NS(C)(=O)=O)c1)CC3"}, {"compound_id": "LB-4D41EF2639AA", "smiles": "Cc1c(N2C[C@@H](C)N(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)CC3"}, {"compound_id": "LB-87AF0EB1974C", "smiles": "Cc1c(N2CCN(C)[C@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)CC3"}, {"compound_id": "LB-F0EE326A0C1E", "smiles": "Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)CC3"}, {"compound_id": "LB-16368A40781A", "smiles": "Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3"}, {"compound_id": "LB-C5C9B82CE68D", "smiles": "COc1ccc2c(c1)NC(=O)CN2c1cc(C)nc2ccccc12"}, {"compound_id": "LB-44C8E6B929CE", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNC56CC7CC(CC(C7)C5)C6)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-68CE240C585F", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNC5CCCNC5=O)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-D11B2600BCC8", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNC5CCCC(C(N)=O)C5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-E7F9CC6FE546", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNCC(=O)N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-981D372B26D3", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNCCN5CCCC5=O)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-429D209C2D1E", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNC5CCN(C(=O)OC(C)(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-8872203B0FBE", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNC5CCN(CC(=O)O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-E44739030FF3", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNC5CCN(CC6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-ED5EF712D5E6", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNC5CCN(S(C)(=O)=O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-0854AD05329A", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-15FCA3AB6A87", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCC(N(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-405659E4BEB7", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-28B55A7D1640", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(Cc6ccc(F)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-C399FF169354", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C(c6ccc(F)cc6)c6ccc(F)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-CEFB5F77298E", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCC(N6CCC(C(=O)O)CC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-DB0B55C043DA", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)C6(CCN(C)CC6)C5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-60E2D2BF88F8", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCC6(CC5)NCCc5ccccc56)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-14DC0FF76288", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(c6ccccn6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-27915F21E816", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(c6ccncc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-47A8513D62A1", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(c6ncccn6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-5FD74B630AAE", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(c6ncccc6C(F)(F)F)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-92334CEBA39B", "smiles": "CCS(=O)(=O)N1CCN(Cc2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1"}, {"compound_id": "LB-B1F90D2DDE35", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCC(NS(C)(=O)=O)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-DD9403D225AA", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(C)(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-0E2C35346DD6", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-6DCA4503620C", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NCc5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-A263DA34C3F4", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/Nc5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-33FF796902D7", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/Nc5ccnc6cc(Cl)ccc56)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-9D8BBEA525EE", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC5=NCCN5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-8F41779BA31F", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-303424778B75", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-45AD11237702", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-69D07B1F3152", "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCOCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"}, {"compound_id": "LB-210492D535AF", "smiles": "CC(C)CNc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12"}, {"compound_id": "LB-CCC7BF325E0B", "smiles": "CC(C)CCNc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12"}, {"compound_id": "LB-BE790EA41B07", "smiles": "COc1ccc(-c2cc3c(N[C@H](CO)[C@@H](C)O)c(C(N)=O)cnn3c2)cn1"}, {"compound_id": "LB-665C5D66EF7C", "smiles": "C[C@@H](O)[C@@H](CO)Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12"}, {"compound_id": "LB-245B9579B029", "smiles": "C=C1CC[C@@H]2[C@](C)(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O"}, {"compound_id": "LB-47BFAA5E35FA", "smiles": "C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1\\C=COC1=O"}, {"compound_id": "LB-B69CD599F692", "smiles": "C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C/C=C1\\C=COC1=O"}, {"compound_id": "LB-D7BCD666A902", "smiles": "C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O"}, {"compound_id": "LB-509B66FC8236", "smiles": "C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CCC1=CCOC1=O"}, {"compound_id": "LB-DE00BC40FB92", "smiles": "C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1CCC1=CCOC1=O"}, {"compound_id": "LB-6E6AB984D9A3", "smiles": "C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CCC1C(=O)OC[C@H]1O"}, {"compound_id": "LB-370478CC4BB3", "smiles": "C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1CCC1C(=O)OC[C@H]1OC(C)=O"}, {"compound_id": "LB-CC3245C3A13C", "smiles": "CC1=C(CCC2=CCOC2=O)[C@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@H]2CC1"}, {"compound_id": "LB-5B2E08B1F1CD", "smiles": "C[C@@]1(CO)[C@H](O)CC[C@@]2(C)C3CC(C4=CCOC4=O)O[C@]3(C)CC[C@H]12"}, {"compound_id": "LB-75E2A3A0CC42", "smiles": "CC(=O)OC[C@@]1(C)[C@H]2CCC(C)=C(C[C@H](OC(C)=O)C3=CCOC3=O)[C@]2(C)CC[C@H]1OC(C)=O"}, {"compound_id": "LB-F377F09408FD", "smiles": "C=CCc1cc(-c2cccc(CC=C)c2O)ccc1O"}, {"compound_id": "LB-FF274B1EAE61", "smiles": "C=CCc1ccc(O)c(-c2cccc(CC=C)c2O)c1"}, {"compound_id": "LB-4C1BB0206933", "smiles": "C=CCc1cc(O)c(O)c(-c2cc(CC=C)cc(O)c2O)c1"}, {"compound_id": "LB-7990B643164C", "smiles": "C=CCc1cc(-c2ccc(OC)c(CC=C)c2)ccc1O"}, {"compound_id": "LB-65A0B32CF5B5", "smiles": "C=CCc1cc(-c2cccc(CC=C)c2O)ccc1OC"}, {"compound_id": "LB-647842C6EFC5", "smiles": "C=CCc1ccc(OC)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-A8AAA09B0424", "smiles": "C=CCc1ccc(OC)c(-c2cc(CC=C)ccc2OC)c1"}, {"compound_id": "LB-BE62E5BFCDA3", "smiles": "C=CCc1ccc(O)c(-c2ccc(O)c(CC(CO)OC)c2)c1"}, {"compound_id": "LB-7AC96273109C", "smiles": "C=CCc1ccc(O)c(-c2ccc(O)c(CC(O)COC)c2)c1"}, {"compound_id": "LB-948024D01DB6", "smiles": "O=Cc1ccc(O)c(-c2ccc(O)c(CC3CO3)c2)c1"}, {"compound_id": "LB-B4A7C33F24E7", "smiles": "COc1ccc(-c2cc(/C=C/C=O)ccc2O)cc1/C=C/C=O"}, {"compound_id": "LB-DAB415BEDCDE", "smiles": "C=CCc1ccc(O)c(-c2ccc(O)c(CC(O)CO)c2)c1"}, {"compound_id": "LB-BEF22194F939", "smiles": "OCC(O)Cc1ccc(O)c(-c2ccc(O)c(CC(O)CO)c2)c1"}, {"compound_id": "LB-679879508258", "smiles": "CCCc1ccc(O)c(-c2ccc(O)c(CCC)c2)c1"}, {"compound_id": "LB-FBB0320CDD03", "smiles": "C=CCc1ccc(O)c(-c2ccc(O)c(/C=C\\C)c2)c1"}, {"compound_id": "LB-E62F8FC2D929", "smiles": "CCCc1ccc(O)c(-c2cc(CCC)ccc2O)c1"}, {"compound_id": "LB-7C203DD2C9A3", "smiles": "C/C=C/c1ccc(O)c(-c2cc(/C=C/C)ccc2O)c1"}, {"compound_id": "LB-83334254E543", "smiles": "Oc1ccccc1-c1ccccc1O"}, {"compound_id": "LB-EB6CF4A95247", "smiles": "C=CCc1ccc(O)c(-c2cc(CC=C)c(O)c(C(C)(C)C)c2)c1"}, {"compound_id": "LB-1DE3810BF96F", "smiles": "C=CCc1cc(-c2cc(CC=C)c(O)c([N+](=O)[O-])c2)c(O)c([N+](=O)[O-])c1"}, {"compound_id": "LB-B4A04A863642", "smiles": "C=CCc1cc(N=O)c(O)c(-c2cc(CC=C)c(O)c(N=O)c2)c1"}, {"compound_id": "LB-7ABD4ED01215", "smiles": "C=CCc1cc(N)c(O)c(-c2cc(N)c(O)c(CC=C)c2)c1"}, {"compound_id": "LB-81FE0C344114", "smiles": "C=CCc1cc(NC(C)=O)c(O)c(-c2cc(CC=C)c(O)c(NC(C)=O)c2)c1"}, {"compound_id": "LB-6710F68E9F7D", "smiles": "C=CCc1cc(NC(=O)C=C)c(O)c(-c2cc(CC=C)c(O)c(NC(=O)C=C)c2)c1"}, {"compound_id": "LB-7D0FFA69AF5D", "smiles": "C=CCc1cc(NC(=O)CCl)c(O)c(-c2cc(CC=C)c(O)c(NC(=O)CCl)c2)c1"}, {"compound_id": "LB-B9EFB038FC56", "smiles": "C=CCc1cc(CN(C)C)c(O)c(-c2cc(CC=C)c(O)c(CN(C)C)c2)c1"}, {"compound_id": "LB-E56C02DBF256", "smiles": "CCCc1cc(C)c(O)c(-c2cc(C)c(O)c(CCC)c2)c1"}, {"compound_id": "LB-0AAADBF918B0", "smiles": "C=CCc1cc(Br)c(O)c(-c2ccc(OC)c(CC=C)c2)c1"}, {"compound_id": "LB-5B27D4EA72EA", "smiles": "C=CCc1cc(CN2CCC(N)CC2)c(O)c(-c2cc(CC=C)c(O)c(CN3CCC(N)CC3)c2)c1"}, {"compound_id": "LB-B140B7C140F0", "smiles": "C=CCc1cc(CN2CCC(O)CC2)c(O)c(-c2cc(CC=C)c(O)c(CN3CCC(O)CC3)c2)c1"}, {"compound_id": "LB-416276B3E92A", "smiles": "C=CCc1cc(CN2CCN(C)CC2)c(O)c(-c2cc(CC=C)c(O)c(CN3CCN(C)CC3)c2)c1"}, {"compound_id": "LB-BF382774EDAC", "smiles": "C=CCc1cc(CN2CCOCC2)c(O)c(-c2cc(CC=C)c(O)c(CN3CCOCC3)c2)c1"}, {"compound_id": "LB-74008DF43B20", "smiles": "C=CCc1cc(CN2CCSCC2)c(O)c(-c2cc(CC=C)c(O)c(CN3CCSCC3)c2)c1"}, {"compound_id": "LB-841156497A5D", "smiles": "C=CCc1ccc(O)c(-c2cc(C=O)c(O)c(CC=C)c2)c1"}, {"compound_id": "LB-20D1D63620A0", "smiles": "C=CCc1cc(C=O)c(O)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-EF568D74BB2E", "smiles": "C=CCc1cc(C=O)c(OC)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-0AF23756546B", "smiles": "C=CCc1cc(C=O)c(OC)c(-c2ccc(OC)c(CC=C)c2)c1"}, {"compound_id": "LB-B045D384DCA0", "smiles": "C=CCc1cc(C=O)c(OCC)c(-c2ccc(OCC)c(CC=C)c2)c1"}, {"compound_id": "LB-ECAB11C6588C", "smiles": "C=CCc1cc(C=O)c(O)c(-c2cc(C=O)c(O)c(CC=C)c2)c1"}, {"compound_id": "LB-72311BFD4137", "smiles": "C=CCc1cc(CO)c(O)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-AF85222D3150", "smiles": "C=CCc1cc(CO)c(O)c(-c2cc(CO)c(O)c(CC=C)c2)c1"}, {"compound_id": "LB-5554800684AB", "smiles": "C=CCc1ccc(O)c(-c2cc(/C=N/O)c(O)c(CC=C)c2)c1"}, {"compound_id": "LB-CFC37C5B3A11", "smiles": "C=CCc1cc(/C=N/O)c(O)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-688203A210AE", "smiles": "C=CCc1cc(/C=N/O)c(O)c(-c2cc(/C=N/O)c(O)c(CC=C)c2)c1"}, {"compound_id": "LB-D0EC2DD0EE1A", "smiles": "C=CCc1cc(/C=C(\\C#N)C(=O)OCC)c(O)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-A88FCF47ADEB", "smiles": "C=CCc1ccc(O)c(-c2cc(/C=C(\\C#N)C(=O)OCC)c(O)c(CC=C)c2)c1"}, {"compound_id": "LB-B7A4EB2C5F08", "smiles": "C=CCc1cc(/C=N/CCN)c(O)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-4F106A7CC9C2", "smiles": "C=CCc1cc(/C=N\\c2ccccc2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-C49B6716ED42", "smiles": "C=CCc1cc(/C=N\\c2ccc(N)cc2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-8D25604F5A9D", "smiles": "C=CCc1cc(/C=N/Nc2ccccc2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-8BFC97B22FFE", "smiles": "C=CCc1cc(/C=N\\CCCCCC)c(O)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-DDFB6E9F54C0", "smiles": "C=CCc1cc(/C=N\\C2CCCCC2)c(O)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-235789004A85", "smiles": "C=CCc1ccc(O)c(-c2cc(/C=C3\\SC(=O)NC3=O)c(O)c(CC=C)c2)c1"}, {"compound_id": "LB-E17719A57D66", "smiles": "C=CCc1cc(/C=C2\\SC(=O)NC2=O)c(O)c(-c2ccc(O)c(CC=C)c2)c1"}, {"compound_id": "LB-7BCABA79E7D1", "smiles": "C=CCc1cc(/C=C2\\SC(=O)NC2=O)c(O)c(-c2cc(/C=C3\\SC(=O)NC3=O)c(O)c(CC=C)c2)c1"}, {"compound_id": "LB-1DAE54F311E1", "smiles": "C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(-c2ccc(OC)c(CC=C)c2)c1"}, {"compound_id": "LB-4C0E131C936D", "smiles": "C=CCc1cc(-c2ccc3c(c2)OCO3)ccc1O"}, {"compound_id": "LB-44AE8D126D5F", "smiles": "C=CCc1cc(-c2ccc3c(c2)OCCO3)ccc1O"}, {"compound_id": "LB-B12A8BA3D3C5", "smiles": "C=CCc1cc(-c2ccc3c(c2)OCCO3)ccc1OC"}, {"compound_id": "LB-B555ED26BF19", "smiles": "C=CCc1ccc(O)c(-c2ccc3c(c2)CC(C)O3)c1"}, {"compound_id": "LB-29389F1D52DE", "smiles": "CCCc1ccc(O)c(-c2ccc3c(c2)CC(C)O3)c1"}, {"compound_id": "LB-3F6BEDD0B033", "smiles": "C=CCc1ccc(O)c(-c2ccc3oc(C)cc3c2)c1"}, {"compound_id": "LB-AE0ADDDD69AC", "smiles": "CCCc1ccc(O)c(-c2ccc3oc(C)cc3c2)c1"}, {"compound_id": "LB-494A82F2C574", "smiles": "C=CCc1cc2c(c(-c3cc(CC=C)c4c(c3)NC(=O)CO4)c1)OCC(=O)N2"}, {"compound_id": "LB-E2BB5720BEAC", "smiles": "C=CCc1ccc(O)c(-c2cc(CC=C)c3oncc3c2)c1"}, {"compound_id": "LB-CBFC96FFA2D0", "smiles": "C=CCc1ccc(Oc2cc(CC=C)ccc2O)cc1"}, {"compound_id": "LB-10E01A516493", "smiles": "C=CCc1cc(/C(CC)=C(\\CC)c2ccc(O)c(CC=C)c2)ccc1O"}, {"compound_id": "LB-EBCA6A12BB1F", "smiles": "C=CCc1cc(Cc2ccc(O)c(CC=C)c2)ccc1O"}, {"compound_id": "LB-E743B6899D78", "smiles": "C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O"}, {"compound_id": "LB-9ADB615B7E1F", "smiles": "C=CCc1cc(C2(c3ccc(O)c(CC=C)c3)CCCCC2)ccc1O"}, {"compound_id": "LB-9AD2500552EB", "smiles": "C=CCc1cc(C(=C(Cl)Cl)c2ccc(O)c(CC=C)c2)ccc1O"}, {"compound_id": "LB-A4072BA65D32", "smiles": "C=CCc1cc(C(c2ccc(O)c(CC=C)c2)c2ccccn2)ccc1O"}, {"compound_id": "LB-5947B302E06B", "smiles": "COc1ccc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)cc1"}, {"compound_id": "LB-395B4070D6AB", "smiles": "Nc1cccc(Cl)c1Oc1ccc(CNc2ccc(Br)cc2)cc1"}, {"compound_id": "LB-8D489CE20BCB", "smiles": "Nc1cccc(Cl)c1Oc1ccc(CNc2ccc(Cl)cc2)cc1"}, {"compound_id": "LB-EFAA21F90404", "smiles": "Nc1cccc(Cl)c1Oc1ccc(CNc2cccc(O)c2)cc1"}, {"compound_id": "LB-94D778C4EE47", "smiles": "COc1cccc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)c1"}, {"compound_id": "LB-87A94B3F7602", "smiles": "Nc1cccc(Cl)c1Oc1ccc(CNc2cccc(Br)c2)cc1"}, {"compound_id": "LB-B45D4336A507", "smiles": "Nc1cccc(Cl)c1Oc1ccc(CNc2cccc(Cl)c2)cc1"}, {"compound_id": "LB-85A45AEDE895", "smiles": "Nc1cccc(Cl)c1Oc1ccc(CNc2ccccc2)cc1"}, {"compound_id": "LB-D7FC3F2E6827", "smiles": "Nc1cccc(Cl)c1Oc1ccc(CNc2ccc(O)cc2)cc1"}, {"compound_id": "LB-9070AF69164C", "smiles": "Nc1cccc(Cl)c1Oc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1"}, {"compound_id": "LB-65C07F4EA61E", "smiles": "Nc1cccc(Cl)c1Oc1ccc(CNc2cc(Br)cc(Br)c2)cc1"}, {"compound_id": "LB-420CAE9BCE9C", "smiles": "COc1cc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)cc(OC)c1"}, {"compound_id": "LB-4FFE1CAFF17C", "smiles": "COc1cc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)cc(OC)c1OC"}, {"compound_id": "LB-3FBFF5DB9DFB", "smiles": "CC(C)(C)C(=O)N1N=CC[C@H]1c1ccccc1"}, {"compound_id": "LB-EE2BD524C8BE", "smiles": "COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1"}, {"compound_id": "LB-E97133830C93", "smiles": "CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C)cc(Cc2ccccc2OC)c1=O"}, {"compound_id": "LB-9FACD52AB24E", "smiles": "CN1C(=O)c2ccccc2C1=O"}, {"compound_id": "LB-0610C58D8300", "smiles": "CS(=O)(=O)CCc1ccccc1"}, {"compound_id": "LB-D09152F0CF90", "smiles": "C[S+]([O-])CCc1ccccc1"}, {"compound_id": "LB-8B680D8400C0", "smiles": "CSCCc1ccccc1"}, {"compound_id": "LB-CEA3C0805D87", "smiles": "COCCc1ccccc1"}, {"compound_id": "LB-7BFFA2653C11", "smiles": "CS(=O)(=O)c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-656B52EB510F", "smiles": "C[S+]([O-])c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-D4F9C8B09063", "smiles": "COc1ccc(C)cc1"}, {"compound_id": "LB-9C4A0BF6D90B", "smiles": "Cc1ccc(Br)cc1"}, {"compound_id": "LB-705A3B2847B8", "smiles": "Cc1ccc(C#N)cc1"}, {"compound_id": "LB-4B1D0E352CBC", "smiles": "Cc1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-78538C57D9FC", "smiles": "O=C1c2ccccc2C(=O)N1C(F)F"}, {"compound_id": "LB-E265D386F275", "smiles": "O=C(OC(F)F)c1ccccc1"}, {"compound_id": "LB-4AFFAB48E30A", "smiles": "FC(F)CCc1ccccc1"}, {"compound_id": "LB-56D433E3E42F", "smiles": "O=S(=O)(CCc1ccccc1)C(F)F"}, {"compound_id": "LB-B60D76548CE7", "smiles": "[O-][S+](CCc1ccccc1)C(F)F"}, {"compound_id": "LB-600ADBBC69E0", "smiles": "FC(F)SCCc1ccccc1"}, {"compound_id": "LB-73E66E25B307", "smiles": "FC(F)OCCc1ccccc1"}, {"compound_id": "LB-04FD2C77482A", "smiles": "O=[N+]([O-])c1ccc(S(=O)(=O)C(F)F)cc1"}, {"compound_id": "LB-6CBEEBDED98E", "smiles": "O=[N+]([O-])c1ccc([S+]([O-])C(F)F)cc1"}, {"compound_id": "LB-4755FD5C64AE", "smiles": "COc1ccc(C(F)F)cc1"}, {"compound_id": "LB-0870FB1F3FB2", "smiles": "Cc1ccc(C(F)F)cc1"}, {"compound_id": "LB-502BC7DF5959", "smiles": "FC(F)c1ccccc1"}, {"compound_id": "LB-CE9D0EE54175", "smiles": "FC(F)c1ccc(Br)cc1"}, {"compound_id": "LB-6D0BD6D60D39", "smiles": "N#Cc1ccc(C(F)F)cc1"}, {"compound_id": "LB-37CE21F3FC96", "smiles": "O=[N+]([O-])c1ccc(C(F)F)cc1"}, {"compound_id": "LB-8B9DF8317D0D", "smiles": "O=c1c2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2nc2n1CCc1c-2[nH]c2ccccc12"}, {"compound_id": "LB-040826B06B76", "smiles": "O=c1c2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc2nc2n1CCc1c-2[nH]c2ccccc12"}, {"compound_id": "LB-4FC55F745434", "smiles": "O=c1c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2nc2n1CCc1c-2[nH]c2ccccc12"}, {"compound_id": "LB-DF7C101FC7B8", "smiles": "O=c1c2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc2nc2n1CCc1c-2[nH]c2ccccc12"}, {"compound_id": "LB-F8EB7BAD9CDC", "smiles": "O=c1c2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2nc2n1CCc1c-2[nH]c2ccccc12"}, {"compound_id": "LB-152BB8D4B973", "smiles": "O=c1c2cc(NS(=O)(=O)c3ccccc3OC(F)(F)F)ccc2nc2n1CCc1c-2[nH]c2ccccc12"}, {"compound_id": "LB-B23882339770", "smiles": "O=c1c2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2nc2n1CCc1c-2[nH]c2ccccc12"}, {"compound_id": "LB-0162981E965C", "smiles": "O=c1c2cc(NS(=O)(=O)c3ccc(Br)s3)ccc2nc2n1CCc1c-2[nH]c2ccccc12"}, {"compound_id": "LB-D5B0AC83531B", "smiles": "C#CCOc1ccc(-c2cc(-c3ccc(OCC#C)cc3)nc(N)n2)cc1"}, {"compound_id": "LB-D5D4FF39E5B9", "smiles": "C#CCOc1ccc(-c2cc(-c3cccc(OCC#C)c3)nc(N)n2)cc1"}, {"compound_id": "LB-52014B307403", "smiles": "c1ccc2c(c1)CC(NCc1c(-c3ccc4ccccc4c3)nc3occn13)C2"}, {"compound_id": "LB-6870B32A88E6", "smiles": "Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1"}, {"compound_id": "LB-B4A686BF7650", "smiles": "CCO/C(C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-040ADE4647C2", "smiles": "CCO/C(C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-02A85F1A5154", "smiles": "CCO/C(C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-3C4E77DFE4C6", "smiles": "CCO/C(C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OS(=O)(=O)c5ccc(C)cc5)ccc4[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-4A4CF94028D3", "smiles": "CCO/C(C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OCc5ccccc5)ccc4[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-4F7C5F09C1C3", "smiles": "CCO/C(C[C@]1(OC)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-B976773FFA40", "smiles": "CCO/C(CC1=CC[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@]12C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-54614A0B1576", "smiles": "CCO/C(CC1=CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-FADB1234D73C", "smiles": "CCO/C(C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-80C89DA89FCB", "smiles": "CCCO/C(C[C@]1(OC)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-203DC40C2BEF", "smiles": "CCCO/C(C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-7C6A78A68BA4", "smiles": "CCCO/C(C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-2E298F319B36", "smiles": "CCCO/C(C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-DF36627D16A2", "smiles": "COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C/C(=N\\S(=O)(=O)c1ccc(C)cc1)OC(C)C)OC"}, {"compound_id": "LB-B75735EEF117", "smiles": "CCCCO/C(C[C@]1(OC)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-C45926AEE0D3", "smiles": "COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C/C(=N\\S(=O)(=O)c1ccc(C)cc1)OCC(C)C)OC"}, {"compound_id": "LB-701C9AFB83BC", "smiles": "COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C/C(=N\\S(=O)(=O)c1ccc(C)cc1)OCCC(C)C)OC"}, {"compound_id": "LB-1D7D2DA79799", "smiles": "CCCCCCO/C(C[C@]1(OC)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C)=N/S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-3D561B4690B4", "smiles": "COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C/C(=N\\S(=O)(=O)c1ccc(C)cc1)OC1CCCCC1)OC"}, {"compound_id": "LB-5403B5376409", "smiles": "COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C/C(=N\\S(=O)(=O)c1ccc(C)cc1)OCC(Cl)(Cl)Cl)OC"}, {"compound_id": "LB-44E9685AE804", "smiles": "COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C/C(=N\\S(=O)(=O)c1ccc(C)cc1)OCCCCl)OC"}, {"compound_id": "LB-5F1BC86C64DE", "smiles": "O=C1N(c2cccnc2C(F)(F)F)CC2(CCN(CCc3ccccc3F)CC2)OC12CC2"}, {"compound_id": "LB-957F9656E214", "smiles": "C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C"}, {"compound_id": "LB-71CC2101C7D1", "smiles": "C=CC(=O)N(CC)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C"}, {"compound_id": "LB-6436E48F603B", "smiles": "Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C1(F)F"}, {"compound_id": "LB-F9BB23A61FFA", "smiles": "COC(=O)CCC(=O)CNC(=O)OCCSSCCOC(=O)NCC(=O)CCC(=O)OC"}, {"compound_id": "LB-708EC2152FAE", "smiles": "C[C@@H](Oc1cc(-c2cnn(C3CCN(CC[18F])CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"}, {"compound_id": "LB-79386DFC1235", "smiles": "CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1c(c3ccc(C#N)cc3n1CC[18F])C2=O"}, {"compound_id": "LB-F5CB1579E6A2", "smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC[18F])CC1"}, {"compound_id": "LB-8BD6E16327F4", "smiles": "CCOC(=O)C1=C(C)NC(=O)NC1c1cc2c(cc1OC)OC(C)(CC)C=C2Cl"}, {"compound_id": "LB-33970BE021C0", "smiles": "CN1C(=O)C(c2ccccc2)(c2cccc(Br)c2)N=C1N"}, {"compound_id": "LB-1A3124B035D6", "smiles": "CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)N=C1N"}, {"compound_id": "LB-B3FD437A4AC7", "smiles": "COc1cc(OC)cc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1"}, {"compound_id": "LB-08C3A4EE8A6A", "smiles": "CCc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1"}, {"compound_id": "LB-3A1724023DA2", "smiles": "COc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1OC"}, {"compound_id": "LB-6B560A23A39A", "smiles": "Cc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c(C)c1"}, {"compound_id": "LB-6D1A819C44CE", "smiles": "CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccc(C(C)(C)C)cc3)c2)N=C1N"}, {"compound_id": "LB-BBEA19189439", "smiles": "Cc1ccc(C)c(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1"}, {"compound_id": "LB-0910DC5867EC", "smiles": "Cc1cc(C)c(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c(C)c1"}, {"compound_id": "LB-17971ED54D41", "smiles": "Cc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c(F)c1"}, {"compound_id": "LB-3A959ECACDDD", "smiles": "COc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c(OC)c1"}, {"compound_id": "LB-AF6784CDBB4C", "smiles": "COc1cccc(OC)c1-c1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1"}, {"compound_id": "LB-6D651E0C618E", "smiles": "CN1C(=O)C(c2ccccc2)(c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)N=C1N"}, {"compound_id": "LB-DC0E8310CEE5", "smiles": "Cc1cccc(C)c1-c1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1"}, {"compound_id": "LB-0499A5160998", "smiles": "COc1ccc(OC)c(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1"}, {"compound_id": "LB-8A6C3D45E361", "smiles": "Cc1cc(C)cc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1"}, {"compound_id": "LB-02B4B246E906", "smiles": "Cc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1C"}, {"compound_id": "LB-E9E2D4FFA076", "smiles": "CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(-c4ccccc4)c3)c2)N=C1N"}, {"compound_id": "LB-DAECA03B340D", "smiles": "COc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1OC"}, {"compound_id": "LB-02ABFDC6C828", "smiles": "COc1ccc(F)cc1-c1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1"}, {"compound_id": "LB-A4EAD4803831", "smiles": "COc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1F"}, {"compound_id": "LB-136E01A3A88A", "smiles": "Cc1ccc(F)cc1-c1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1"}, {"compound_id": "LB-7FAE4F0FD8C2", "smiles": "Cc1cc(F)ccc1-c1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1"}, {"compound_id": "LB-11A689B9B9C2", "smiles": "CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N"}, {"compound_id": "LB-A91FE86A7F63", "smiles": "CC(C)=CCC/C(C)=C/COc1cc(C(C)C)ccc1C"}, {"compound_id": "LB-C8325F064CDB", "smiles": "CC(C)=CCOc1cc(C(C)C)ccc1C"}, {"compound_id": "LB-5B31E31952E8", "smiles": "c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1"}, {"compound_id": "LB-5D7819FC6AB4", "smiles": "CNCC[C@H](NCC(=O)N1CCCc2ccccc21)c1ccccc1"}, {"compound_id": "LB-1504F36B467F", "smiles": "Cl.Cl.O=C(CN1CCCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1"}, {"compound_id": "LB-99099C4FD0CB", "smiles": "Cl.Cl.O=C(CN1CCCCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1"}, {"compound_id": "LB-9B3B63832820", "smiles": "O=C(CN1CCCCCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O"}, {"compound_id": "LB-D409EDE5B22F", "smiles": "CC(C)N1CCC(Oc2ccc(NC(=O)CN3CCCCC3)cc2)CC1.Cl.Cl"}, {"compound_id": "LB-C9F0D98FE1DE", "smiles": "Cl.Cl.O=C(CN1CCOCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1"}, {"compound_id": "LB-2181FC242E7A", "smiles": "Cl.Cl.O=C(CN1CCCC1CO)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1"}, {"compound_id": "LB-EF01E895A087", "smiles": "CC(C)N1CCC(Oc2ccc(NC(=O)CN3CCOCC3)cc2)CC1.Cl.Cl"}, {"compound_id": "LB-67D7FEA187CD", "smiles": "CCN(CC)c1ccc(/C=C/C(=N/Nc2nc(C)cs2)C2=Cc3ccccc3C2)cc1"}, {"compound_id": "LB-7B91A4D6843B", "smiles": "O=C(CCc1ccccc1)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N1CC1"}, {"compound_id": "LB-ABC70DC82059", "smiles": "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1"}, {"compound_id": "LB-80BB4CDD3464", "smiles": "COc1ccc(/C=C/c2ccc(OCCCC(C)(C)C(=O)O)cc2)cc1"}, {"compound_id": "LB-E1F09F65628C", "smiles": "CC(C)(CCCOc1ccc(/C=C/c2ccccc2)cc1)C(=O)O"}, {"compound_id": "LB-E4F7BCE685F5", "smiles": "CC(C)(Oc1ccc(Cl)cc1)C(=O)O"}, {"compound_id": "LB-00BBB794755F", "smiles": "CC(C)(Oc1ccc(CCCOc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1)C(=O)O"}, {"compound_id": "LB-13C69B0C862B", "smiles": "CC(C)(Oc1ccc(CCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O"}, {"compound_id": "LB-9C523C91F8AA", "smiles": "CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O"}, {"compound_id": "LB-3E7335269F1C", "smiles": "CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)NCC(=O)CCC(=O)O)[C@@H]4C)c(C)c3C(C)OC"}, {"compound_id": "LB-303264E109E8", "smiles": "C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCC(=O)CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-31CB301E3B18", "smiles": "C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-55E8B5D466FE", "smiles": "CCCOCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCC(=O)CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-6BABCE61A1C9", "smiles": "CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)NCC(=O)CCC(=O)O)[C@@H]4C)c(C)c3C(C)OCCOC"}, {"compound_id": "LB-C3D1D6D89866", "smiles": "CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)C5)[C@@H](CCC(=O)NCC(=O)CCC(=O)O)[C@@H]4C)c(C)c3C(C)OCCO"}, {"compound_id": "LB-A64C13A6EE46", "smiles": "CCCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCC(=O)CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-15945DF701CC", "smiles": "CCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCC(=O)CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-7F616A1019AF", "smiles": "CCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCC(=O)CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-311DCA656F9E", "smiles": "CCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCC(=O)CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-E40372A44B3B", "smiles": "CCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCC(=O)CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-4C1DD2EBE5EB", "smiles": "OCCCCC(F)F"}, {"compound_id": "LB-808A373C183F", "smiles": "CC(F)(F)CCCO"}, {"compound_id": "LB-19241FC4CD49", "smiles": "OCCCCCF"}, {"compound_id": "LB-9891D54E629F", "smiles": "CC(F)CCCO"}, {"compound_id": "LB-44916B77EA12", "smiles": "CCC(F)CCO"}, {"compound_id": "LB-5E117504C322", "smiles": "CCCC(F)CO"}, {"compound_id": "LB-C46E43B6DE30", "smiles": "OCCCC(F)(F)C(F)(F)F"}, {"compound_id": "LB-C3F69049F12D", "smiles": "OCCCC(F)C(F)(F)F"}, {"compound_id": "LB-08964F104735", "smiles": "OCCCC(F)(F)C(F)F"}, {"compound_id": "LB-9D3650005F3F", "smiles": "OCCCC(F)(F)CF"}, {"compound_id": "LB-0995A17682E0", "smiles": "OCCCC(F)C(F)F"}, {"compound_id": "LB-301A4609BB84", "smiles": "OCCCC(F)CF"}, {"compound_id": "LB-8C236CA5B006", "smiles": "OCCC(F)(F)CC(F)(F)F"}, {"compound_id": "LB-748D03FB6A58", "smiles": "OCCC(F)CC(F)(F)F"}, {"compound_id": "LB-427336A590C0", "smiles": "OCCCCC(F)(F)F"}, {"compound_id": "LB-A7BF3EAADF27", "smiles": "OCC(F)(F)C(F)(F)C(F)(F)C(F)F"}, {"compound_id": "LB-26CF9E3835E4", "smiles": "OCCC(F)(F)C(F)(F)C(F)(F)F"}, {"compound_id": "LB-99304447C3D1", "smiles": "OCCC(F)(F)F"}, {"compound_id": "LB-8EB3C5000322", "smiles": "OCCC(F)F"}, {"compound_id": "LB-796848D23101", "smiles": "OCC(F)(F)C(F)(F)C(F)(F)F"}, {"compound_id": "LB-8789EF9A95CA", "smiles": "OCCC(F)(F)C(F)(F)F"}, {"compound_id": "LB-467A430BCF31", "smiles": "CC(F)(F)C(F)(F)CO"}, {"compound_id": "LB-E68361EA5527", "smiles": "CC(F)(F)CCO"}, {"compound_id": "LB-D0F8A7836402", "smiles": "CN(C)C(=O)CNCCc1cccc(OCC(F)(F)C(F)(F)C(F)(F)F)c1"}, {"compound_id": "LB-A0AD5194D8EA", "smiles": "CCCCOc1cccc(CCNCC(=O)N(C)C)c1"}, {"compound_id": "LB-66BBBEF97413", "smiles": "CN(C)C(=O)CNCCc1cccc(OCC(F)(F)C(C)(F)F)c1"}, {"compound_id": "LB-4896D6BCAF63", "smiles": "CN(C)C(=O)CNCCc1cccc(OCCC(C)(F)F)c1"}, {"compound_id": "LB-58E1FDD4E773", "smiles": "OCC(F)(F)C(F)C(F)(F)F"}, {"compound_id": "LB-A87A23E75BBA", "smiles": "OCC(F)(F)CC(F)(F)F"}, {"compound_id": "LB-2634B4658A2B", "smiles": "OCCCC(F)(F)F"}, {"compound_id": "LB-23523F335C02", "smiles": "CCC(F)(F)CO"}, {"compound_id": "LB-BF48D6D4B4A8", "smiles": "OCCC(F)(F)C(F)F"}, {"compound_id": "LB-3D8C5B58607E", "smiles": "OCC(F)CC(F)(F)F"}, {"compound_id": "LB-3B5A466D2E03", "smiles": "OCCC(F)C(F)F"}, {"compound_id": "LB-0B75C52F5A82", "smiles": "OCCCC(F)F"}, {"compound_id": "LB-D6EE15C865BB", "smiles": "OCCC(F)(F)CF"}, {"compound_id": "LB-D898CDCC5EC5", "smiles": "CCC(F)CO"}, {"compound_id": "LB-605534430C98", "smiles": "CC(F)CCO"}, {"compound_id": "LB-837EAF356500", "smiles": "OCCCCF"}, {"compound_id": "LB-297D6AAFB6B5", "smiles": "OCCC(F)CF"}, {"compound_id": "LB-199644062DA4", "smiles": "CCCC(C)O"}, {"compound_id": "LB-B78C1467C6DE", "smiles": "CCCC(O)C(F)F"}, {"compound_id": "LB-72D2415018FF", "smiles": "CCC(F)(F)C(C)O"}, {"compound_id": "LB-B40605757A44", "smiles": "CCCC(O)CF"}, {"compound_id": "LB-D7FAD47320A8", "smiles": "CC[C@@H](F)[C@H](C)O"}, {"compound_id": "LB-CFC6A3D08CC3", "smiles": "CC[C@H](F)[C@H](C)O"}, {"compound_id": "LB-FA4D3C6A3E25", "smiles": "C[C@H](O)C[C@H](C)F"}, {"compound_id": "LB-29EB544D9F9E", "smiles": "C[C@H](O)C[C@@H](C)F"}, {"compound_id": "LB-A7A63DBA8F55", "smiles": "CC(O)CCCF"}, {"compound_id": "LB-6FE015F97920", "smiles": "CC(O)CC(C)(F)F"}, {"compound_id": "LB-0264F0E96100", "smiles": "CC(O)CCC(F)F"}, {"compound_id": "LB-997F2F24F4BF", "smiles": "CCCC(F)(F)CO"}, {"compound_id": "LB-E1D4B5CA955F", "smiles": "CCC(F)(F)CCO"}, {"compound_id": "LB-1DCE014BF3CC", "smiles": "OCC(F)(F)C(F)(F)F"}, {"compound_id": "LB-B0FCA7731C3A", "smiles": "CCCCc1c[nH]c2ccccc12"}, {"compound_id": "LB-588AB14EFEBA", "smiles": "CC(F)[C@H](F)CCc1c[nH]c2ccccc12"}, {"compound_id": "LB-3ACEEB66F640", "smiles": "FCC(F)[C@H](F)Cc1c[nH]c2ccccc12"}, {"compound_id": "LB-F8EAFD2FB3C1", "smiles": "CCCOc1ccc2[nH]ccc2c1"}, {"compound_id": "LB-8E2AC0084DA1", "smiles": "FC(F)(F)CCOc1ccc2[nH]ccc2c1"}, {"compound_id": "LB-6E53FBCBE318", "smiles": "CC(F)(F)COc1ccc2[nH]ccc2c1"}, {"compound_id": "LB-A71B05C673D8", "smiles": "FC(F)CCOc1ccc2[nH]ccc2c1"}, {"compound_id": "LB-0BD055DFCDDA", "smiles": "FCCCOc1ccc2[nH]ccc2c1"}, {"compound_id": "LB-8AEE3EDEB5C8", "smiles": "FCC(F)COc1ccc2[nH]ccc2c1"}, {"compound_id": "LB-7A172C1CB0C6", "smiles": "OCCCF"}, {"compound_id": "LB-641BDE2B0704", "smiles": "OCC(F)F"}, {"compound_id": "LB-D5B002AEE56E", "smiles": "CC(=O)N1CCC[C@H]1C(=O)OCC(F)(F)F"}, {"compound_id": "LB-49EDCB21FE89", "smiles": "CC(=O)N1CCC[C@H]1C(=O)OCC(F)F"}, {"compound_id": "LB-788790094A9E", "smiles": "CCOC(=O)[C@@H]1CCCN1C(C)=O"}, {"compound_id": "LB-14D1CE83D9C6", "smiles": "CC(=O)N1CCC[C@H]1C(=O)OCCF"}, {"compound_id": "LB-67A56E6B15BC", "smiles": "Cc1c(O)c(O)cc[n+]1[C@@H](CO)Cc1ccccc1.[Cl-]"}, {"compound_id": "LB-F41800F22947", "smiles": "CCc1c(O)c(O)cc[n+]1CCO.[Cl-]"}, {"compound_id": "LB-2F45066AF1A7", "smiles": "Cc1c(O)c(O)cc[n+]1CCO.[Cl-]"}, {"compound_id": "LB-A6BD898EC4F7", "smiles": "CCc1c(O)c(O)cc[n+]1[C@@H](CO)Cc1ccccc1.[Cl-]"}, {"compound_id": "LB-F78FC7EB0D29", "smiles": "CCc1c(O)c(O)cc[n+]1[C@H](CO)Cc1ccccc1.[Cl-]"}, {"compound_id": "LB-A6D57D2A9513", "smiles": "Cc1c(O)c(O)cc[n+]1[C@H](CO)Cc1ccccc1.[Cl-]"}, {"compound_id": "LB-779EA5F936F6", "smiles": "CCc1c(O)c(O)cc[n+]1[C@@H](CO)CC(C)C.[Cl-]"}, {"compound_id": "LB-0674DF49B5DD", "smiles": "CCc1c(O)c(O)cc[n+]1[C@H](CO)CC(C)C.[Cl-]"}, {"compound_id": "LB-D32D8A20800D", "smiles": "Cc1c(O)c(O)cc[n+]1[C@@H](CO)CC(C)C.[Cl-]"}, {"compound_id": "LB-311CC18ABF85", "smiles": "Cc1c(O)c(O)cc[n+]1[C@H](CO)CC(C)C.[Cl-]"}, {"compound_id": "LB-91E0C1D6C3E6", "smiles": "CCc1c(O)c(O)cc[n+]1[C@H](CO)[C@@H](C)CC.[Cl-]"}, {"compound_id": "LB-0A1E1BDC4B5E", "smiles": "CC[C@H](C)[C@@H](CO)[n+]1ccc(O)c(O)c1C.[Cl-]"}, {"compound_id": "LB-DA1C0C91E8FD", "smiles": "CCc1c(O)c(O)cc[n+]1[C@@H](CO)C(C)C.[Cl-]"}, {"compound_id": "LB-7C14C128375C", "smiles": "CCc1c(O)c(O)cc[n+]1[C@H](CO)C(C)C.[Cl-]"}, {"compound_id": "LB-E56DD5AEB7C4", "smiles": "Cc1c(O)c(O)cc[n+]1[C@@H](CO)C(C)C.[Cl-]"}, {"compound_id": "LB-E9D7823654A5", "smiles": "Cc1c(O)c(O)cc[n+]1[C@H](CO)C(C)C.[Cl-]"}, {"compound_id": "LB-603B120C5215", "smiles": "CCc1c(O)c(O)cc[n+]1[C@H](C)CO.[Cl-]"}, {"compound_id": "LB-81AACF12AA55", "smiles": "CCc1c(O)c(O)cc[n+]1[C@@H](C)CO.[Cl-]"}, {"compound_id": "LB-E91E20EF72CF", "smiles": "Cc1c(O)c(O)cc[n+]1[C@H](C)CO.[Cl-]"}, {"compound_id": "LB-3B8172F45CA3", "smiles": "Cc1c(O)c(O)cc[n+]1[C@@H](C)CO.[Cl-]"}, {"compound_id": "LB-CA1300A5A779", "smiles": "CCCCCCCCc1ccc(OCC(=O)Cn2nnc(-c3ccccc3)n2)cc1"}, {"compound_id": "LB-5D7538A42C18", "smiles": "CCCCCCCCc1ccc(OCC(=O)Cn2nnc(-c3ccc(C(=O)OC)cc3)n2)cc1"}, {"compound_id": "LB-47242C51C2BA", "smiles": "CCCCCCCCc1ccc(OCC(=O)Cn2nnc(C(=O)O)n2)cc1"}, {"compound_id": "LB-88CA49F340B3", "smiles": "CC(Oc1ccc(Oc2ccc(F)cc2)cc1)C(=O)Cn1nnc(-c2ccccc2)n1"}, {"compound_id": "LB-ABAB7F021A85", "smiles": "CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)Cn1nnc(-c2ccccc2)n1"}, {"compound_id": "LB-F478D3CA506C", "smiles": "CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1nnc(-c2ccccc2)n1"}, {"compound_id": "LB-42C464A00F4A", "smiles": "CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc(-c2ccccc2)n1"}, {"compound_id": "LB-4C1C48BC34B0", "smiles": "CC(Oc1ccc(Oc2ccc(F)cc2)cc1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1"}, {"compound_id": "LB-5C5B5163C103", "smiles": "CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1"}, {"compound_id": "LB-8797B7BF2906", "smiles": "CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1"}, {"compound_id": "LB-97A30E3E12C2", "smiles": "CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1"}, {"compound_id": "LB-0A9335BBC7B1", "smiles": "COC(=O)c1ccc(-c2nnn(CC(=O)C(C)Oc3ccc(Oc4ccc(F)cc4)cc3)n2)cc1"}, {"compound_id": "LB-B344498F90F6", "smiles": "COC(=O)c1ccc(-c2nnn(CC(=O)C(C)Oc3ccc(Oc4ccc(Cl)cc4)cc3)n2)cc1"}, {"compound_id": "LB-C5F5091BA531", "smiles": "COC(=O)c1ccc(-c2nnn(CC(=O)C(C)Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)cc1"}, {"compound_id": "LB-14D635938313", "smiles": "COC(=O)c1ccc(-c2nnn(CC(=O)C(C)Oc3ccc(-c4ccccc4)cc3)n2)cc1"}, {"compound_id": "LB-FCABCD4F6B79", "smiles": "CCCCCCCCc1ccc(OC(C)C(=O)Cn2nnc(-c3ccc(C(=O)O)cc3)n2)cc1"}, {"compound_id": "LB-DB9FA223C6EA", "smiles": "CC(Oc1ccc(Oc2ccc(F)cc2)cc1)C(=O)Cn1nnc(-c2ccc(C(=O)O)cc2)n1"}, {"compound_id": "LB-D1F2523657A1", "smiles": "CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)Cn1nnc(-c2ccc(C(=O)O)cc2)n1"}, {"compound_id": "LB-68F8E96F223A", "smiles": "CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1nnc(-c2ccc(C(=O)O)cc2)n1"}, {"compound_id": "LB-0E3A4BC8C019", "smiles": "CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc(-c2ccc(C(=O)O)cc2)n1"}, {"compound_id": "LB-D59FA094EE46", "smiles": "COc1c(C#N)ccc2[nH]c(-c3cn4c(n3)[C@H](c3cccc(F)c3C)OCC4)cc12"}, {"compound_id": "LB-D51F63954CAC", "smiles": "COc1nc(-c2nc(Nc3cc(F)cc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1"}, {"compound_id": "LB-EB8F18BC5027", "smiles": "Cc1nc(OCC(=O)N(C)C2CCN(Cc3ccccc3)CC2)nc(C)c1N"}, {"compound_id": "LB-6A22D0CC9BC2", "smiles": "Cc1nc(OCc2cn(C3CCN(Cc4ccccc4)CC3)nn2)nc(C)c1N"}, {"compound_id": "LB-87DE3FB25DA5", "smiles": "Clc1cnc(OCc2cn(C3CCN(Cc4ccccc4)CC3)nn2)nc1"}, {"compound_id": "LB-2C2B572C58F8", "smiles": "Cc1cnc(OCc2cn(C3CCN(Cc4ccccc4)CC3)nn2)nc1"}, {"compound_id": "LB-0A55624FB410", "smiles": "Cc1ccc(OCc2cn(C3CCN(Cc4ccccc4)CC3)nn2)nn1"}, {"compound_id": "LB-2579444FC7C6", "smiles": "Cc1ccc(OCc2cnnn2C2CCN(Cc3ccccc3)CC2)nn1.O=C(O)/C=C\\C(=O)O"}, {"compound_id": "LB-9138C5001E2E", "smiles": "Cc1nc(OCc2cn(C3CCN(CC4CC4)CC3)nn2)nc(C)c1N"}, {"compound_id": "LB-169B6B4B5024", "smiles": "Cc1ccc(OCc2cn(C3CCN(CC4CC4)CC3)nn2)nn1"}, {"compound_id": "LB-90D064417CD5", "smiles": "Cc1cnc(OCc2cn(C3CCN(CC4CC4)CC3)nn2)nc1"}, {"compound_id": "LB-8E8523208D9D", "smiles": "Clc1cnc(OCc2cn(C3CCN(CC4CC4)CC3)nn2)nc1"}, {"compound_id": "LB-2D119A730098", "smiles": "Cc1c(COc2ncc(Cl)cn2)nnn1C1CCN(CC2CC2)CC1"}, {"compound_id": "LB-BD49A81CF550", "smiles": "CCNc1cccnc1N1CCN(C(=O)c2cc(C)c(OC)c(C)c2)CC1"}, {"compound_id": "LB-3DA54AD618C2", "smiles": "CCN1c2ncccc2C(=O)Nc2c(C)ccnc21"}, {"compound_id": "LB-D5FAC2C92B65", "smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2"}, {"compound_id": "LB-700D9FA16D8A", "smiles": "CCN1c2ncccc2C(=O)N(C)c2cccnc21"}, {"compound_id": "LB-4417A228166D", "smiles": "CCN1c2ccccc2N(C)C(=O)c2cccnc21"}, {"compound_id": "LB-DB2B9C2ACD16", "smiles": "O=C1Nc2cccnc2Nc2ncccc21"}, {"compound_id": "LB-3E92AE1A987C", "smiles": "O=C1Nc2ccccc2Nc2ncccc21"}, {"compound_id": "LB-E65F4A5CBDE1", "smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1"}, {"compound_id": "LB-18EC8131FED5", "smiles": "CCNc1cccnc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1.CS(=O)(=O)O"}, {"compound_id": "LB-379EC00E889E", "smiles": "Cc1ccc(CN(Cc2ccc(C(=O)N3CCc4ccc(OS(N)(=O)=O)cc4C3)cc2)Cc2ccco2)s1"}, {"compound_id": "LB-66693D7137E1", "smiles": "NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1"}, {"compound_id": "LB-8AA1189D8EB1", "smiles": "NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cccc(O)c1"}, {"compound_id": "LB-57DF3E23219E", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"}, {"compound_id": "LB-512F2220E8A1", "smiles": "Cc1cc(O)c(Cl)c(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"}, {"compound_id": "LB-516690F7CD7E", "smiles": "Cc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc(C)c1O"}, {"compound_id": "LB-FE2AA5729C07", "smiles": "COc1cc(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc(OC)c1O"}, {"compound_id": "LB-F21283177E19", "smiles": "Cc1nc(C)c(C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)C(C)C)nc1C"}, {"compound_id": "LB-23A124FFD85B", "smiles": "CC[C@H](C)[C@@H](NC(=O)OCc1nc(C)c(C)nc1C)C(=O)Oc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1"}, {"compound_id": "LB-F220DE7E3C65", "smiles": "Cc1nc(C)c(COC(=O)N[C@H](CC(C)C)C(=O)Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)nc1C"}, {"compound_id": "LB-1E274593182C", "smiles": "Cc1nc(C)c(COC(=O)N[C@@H](C(=O)Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)C(C)C)nc1C"}, {"compound_id": "LB-CEDDC0B8CFC8", "smiles": "Cc1nc(C)c(COC(=O)N[C@H](C)C(=O)Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)nc1C"}, {"compound_id": "LB-6B5242C05E66", "smiles": "Cc1nc(C)c(COC(=O)NCC(=O)Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)nc1C"}, {"compound_id": "LB-4681B1A66439", "smiles": "Cc1nc(C)c(C(=O)N[C@H](CC(C)C)C(=O)Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)nc1C"}, {"compound_id": "LB-2F664583E894", "smiles": "Cc1nc(C)c(C(=O)N[C@@H](C(=O)Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)C(C)C)nc1C"}, {"compound_id": "LB-9FB78F10F8A7", "smiles": "Cc1nc(C)c(C(=O)NCC(=O)Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)nc1C"}, {"compound_id": "LB-9199C91E72F7", "smiles": "Cc1nc(C)c(COC(=O)CCCOc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)nc1C"}, {"compound_id": "LB-42577581B958", "smiles": "Cc1nc(C)c(COC(=O)COc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)nc1C"}, {"compound_id": "LB-1F69E71558AB", "smiles": "Cc1nc(C)c(C(=O)Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)nc1C"}, {"compound_id": "LB-89279B2CF1BD", "smiles": "Cc1nc(C)c(C)nc1C"}, {"compound_id": "LB-A5D3C888F82F", "smiles": "CCNC(=O)[C@H]1CC(=O)[C@@]2(C)CC[C@@H]3c4ccc(OCCCN5CCC[C@H]5C)cc4CC[C@H]3[C@H]12"}, {"compound_id": "LB-E06D9061EE3C", "smiles": "Nc1nc2c(nc(S)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]1"}, {"compound_id": "LB-DC949C141F8A", "smiles": "Cc1ccc2oc(=O)c(CSc3nc(N)nc4c3nc(SCc3cc5cc(C)ccc5oc3=O)n4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2c1"}, {"compound_id": "LB-8CE8DECC9041", "smiles": "COc1ccc2oc(=O)c(CSc3nc(N)nc4c3nc(SCc3cc5cc(OC)ccc5oc3=O)n4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2c1"}, {"compound_id": "LB-3C4C723F346A", "smiles": "COc1cccc2cc(CSc3nc(N)nc4c3nc(SCc3cc5cccc(OC)c5oc3=O)n4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=O)oc12"}, {"compound_id": "LB-4DEE3BFEAEF8", "smiles": "COc1ccc2oc(=O)c(CSc3nc(N)nc4c3nc(SCc3ccccc3)n4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2c1"}, {"compound_id": "LB-CA13AA2C8C68", "smiles": "COc1ccc2oc(=O)c(CSc3nc(N)nc4c3nc(SCc3cccc5ccccc35)n4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2c1"}, {"compound_id": "LB-F6B4C689A5E2", "smiles": "CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"}, {"compound_id": "LB-B84288BB7FEA", "smiles": "CCCCCCCC(c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccc(Br)cc12)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccc(Br)cc12"}, {"compound_id": "LB-48F16A108A57", "smiles": "CCOc1cc(C2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(Cc1cc(C)cs1)[C@H](CC)C(=O)N2C"}, {"compound_id": "LB-11C1D915992D", "smiles": "Cc1c(Cl)cccc1Cl"}, {"compound_id": "LB-853751479D3C", "smiles": "OC/C=C/c1ccccc1"}, {"compound_id": "LB-0089E88BCE9A", "smiles": "Cc1ccc(C(=O)c2ccc(C)cc2)cc1"}, {"compound_id": "LB-A72BF8976E71", "smiles": "CO/C1=C\\C(C)=C\\C[C@@H](O)CC/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(F)(F)F)O2)OC1=O"}, {"compound_id": "LB-79015EA1196A", "smiles": "CO/C1=C\\C(C)=C\\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(F)(F)F)O2)OC1=O"}, {"compound_id": "LB-C3E8F271F3FE", "smiles": "CO/C1=C\\C(C)=C\\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O"}, {"compound_id": "LB-72137999521D", "smiles": "N=C(N)NC[C@H]1O[C@@H](n2cc([125I])c(=O)[nH]c2=O)C[C@@H]1O"}, {"compound_id": "LB-6F3960E43589", "smiles": "N=C(N)NCCCCCC(=O)O[C@H]1C[C@H](n2cc([125I])c(=O)[nH]c2=O)O[C@@H]1CO"}, {"compound_id": "LB-418EE57BDFCF", "smiles": "N=C(N)NCCC(=O)OC[C@H]1O[C@@H](n2cc([125I])c(=O)[nH]c2=O)C[C@@H]1O"}, {"compound_id": "LB-37C20E1D95E1", "smiles": "N=C(N)NCCCCCC(=O)OC[C@H]1O[C@@H](n2cc([125I])c(=O)[nH]c2=O)C[C@@H]1O"}, {"compound_id": "LB-478713B060CC", "smiles": "CC(C)(C)c1cc(C(C)(C)C)c2c(c1F)COP(=O)(OC[C@H]1O[C@@H](n3cc([125I])c(=O)[nH]c3=O)C[C@@H]1OC(=O)CCCCCNC(=N)N)O2"}, {"compound_id": "LB-49B4C3F2BE10", "smiles": "N=C(N)NCc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc([125I])c(=O)[nH]c3=O)C[C@@H]2O)cc1"}, {"compound_id": "LB-40860C21865B", "smiles": "N=C(N)NCc1cccc(I)c1"}, {"compound_id": "LB-75B6A71190EA", "smiles": "CCCCCCC(=O)Nc1ccc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c1"}, {"compound_id": "LB-1288A96147E1", "smiles": "CC(C)(C)CC(=O)Nc1ccc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c1"}, {"compound_id": "LB-0269BB70A2C6", "smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N"}, {"compound_id": "LB-69DB1C637B14", "smiles": "CCN(CC)c1ccc2nc3c(cc(N)c4nc(C)ccc43)[s+]c2c1.[Cl-]"}, {"compound_id": "LB-906DF5218753", "smiles": "CCCNc1cc2[s+]c3cc(N(CC)CC)ccc3nc2c2ccc(C)nc12.[Cl-]"}, {"compound_id": "LB-BA12422E3BFC", "smiles": "CCCCCCCNc1cc2[s+]c3cc(N(CC)CC)ccc3nc2c2ccc(C)nc12.[Cl-]"}, {"compound_id": "LB-20874F395445", "smiles": "Cc1ccc(NC(=O)C2(C(=O)Nc3ccc(Nc4ncc(F)c(-c5cc(F)c6nc(C)n(C(C)C)c6c5)n4)cc3)CC2)cc1"}, {"compound_id": "LB-D5AEB15FD7CE", "smiles": "Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"}, {"compound_id": "LB-AB30C471865C", "smiles": "Cc1nn(-c2ccccc2F)c2c1C(c1ccc(F)cc1)CS(=O)(=O)O2"}, {"compound_id": "LB-746371084765", "smiles": "Cc1cc(C2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2F)ccc1Br"}, {"compound_id": "LB-F6449937C11B", "smiles": "O=S1(=O)CCc2c(C3CC3)nn(-c3ccccc3F)c2O1"}, {"compound_id": "LB-528015BDDE83", "smiles": "O=S1(=O)CC(c2ccc(F)cc2)c2c(C3CC3)nn(-c3ccccc3F)c2O1"}, {"compound_id": "LB-A4551811F97E", "smiles": "Cc1cc(C2CS(=O)(=O)Oc3c2c(C2CC2)nn3-c2ccccc2F)ccc1Br"}, {"compound_id": "LB-1D404C0A64A5", "smiles": "O=S1(=O)CC(c2cccc(F)c2)c2c(C3CC3)nn(-c3ccccc3F)c2O1"}, {"compound_id": "LB-AADCFDCE2883", "smiles": "COc1cccc(C2CS(=O)(=O)Oc3c2c(C2CC2)nn3-c2ccccc2F)c1"}, {"compound_id": "LB-C34A296C7623", "smiles": "O=S1(=O)CC(c2ccc(F)cc2)c2c(C3CC3)nn(-c3ccccc3Cl)c2O1"}, {"compound_id": "LB-6F6266B0AE7A", "smiles": "Cc1cc(C2CS(=O)(=O)Oc3c2c(C2CC2)nn3-c2ccccc2Cl)ccc1Br"}, {"compound_id": "LB-2F3EF7E770E6", "smiles": "O=S1(=O)CC(c2cccc(C(F)(F)F)c2)c2c(C3CC3)nn(-c3cccc(F)c3)c2O1"}, {"compound_id": "LB-09E7D112CFE3", "smiles": "COc1ccc(-c2nn(-c3ccccc3F)c3c2CCS(=O)(=O)O3)cc1"}, {"compound_id": "LB-8A3C42D8DAEA", "smiles": "COc1ccc(-c2nn(-c3ccccc3F)c3c2C(c2ccc(Br)c(C)c2)CS(=O)(=O)O3)cc1"}, {"compound_id": "LB-D46C72306C22", "smiles": "COc1ccc(-c2nn(-c3ccccc3Cl)c3c2CCS(=O)(=O)O3)cc1"}, {"compound_id": "LB-F803E9CD10CC", "smiles": "COc1cc(/C=C/C(=O)c2cccs2)cc(OC)c1OC"}, {"compound_id": "LB-B997EE2D6700", "smiles": "COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cccs1"}, {"compound_id": "LB-DF3D988952C6", "smiles": "COc1cc(/C=C/C(=O)c2cccs2)cc(OC)c1"}, {"compound_id": "LB-0002AFBFD935", "smiles": "COc1ccc(/C=C/C(=O)c2cccs2)cc1OC"}, {"compound_id": "LB-7457895C70E1", "smiles": "O=C(/C=C/c1cc(Cl)cc(Cl)c1)c1cccs1"}, {"compound_id": "LB-B9AD0450D34D", "smiles": "O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1cccs1"}, {"compound_id": "LB-791BA5E39661", "smiles": "COc1cc(/C=C/C(=O)c2cc(C)cs2)cc(OC)c1OC"}, {"compound_id": "LB-D5E50A4C613E", "smiles": "COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc(C)cs1"}, {"compound_id": "LB-2DDA0C2A87DF", "smiles": "COc1cc(/C=C/C(=O)c2cc(C)cs2)cc(OC)c1"}, {"compound_id": "LB-309E259F1189", "smiles": "COc1ccc(/C=C/C(=O)c2cc(C)cs2)cc1OC"}, {"compound_id": "LB-8B04B73972C4", "smiles": "Cc1csc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1"}, {"compound_id": "LB-44F27ED94A5D", "smiles": "Cc1csc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1"}, {"compound_id": "LB-9DF8B4488F9C", "smiles": "COc1cc(/C=C/C(=O)c2ccc(C)s2)cc(OC)c1OC"}, {"compound_id": "LB-D75BB6A85B97", "smiles": "COc1cc(/C=C/C(=O)c2cc3ccccc3s2)cc(OC)c1OC"}, {"compound_id": "LB-4B22D0FB9E56", "smiles": "COc1cc(/C=C/C(=O)c2cc3cccc(O)c3o2)cc(OC)c1OC"}, {"compound_id": "LB-3103A28C46CB", "smiles": "COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC"}, {"compound_id": "LB-B6868570E0EE", "smiles": "COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1"}, {"compound_id": "LB-2703D48C6324", "smiles": "COc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc(OC)c1"}, {"compound_id": "LB-1704D2B87957", "smiles": "COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC"}, {"compound_id": "LB-BB7D9B1A46C7", "smiles": "COc1ccc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)cc1OC"}, {"compound_id": "LB-2E2A62C8C85C", "smiles": "COc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1OC"}, {"compound_id": "LB-D4AB0702D7A7", "smiles": "COc1cc(C2OC2C(=O)c2cccs2)cc(OC)c1OC"}, {"compound_id": "LB-89E631C976EF", "smiles": "COc1cc(C2OC2C(=O)c2cc(C)cs2)cc(OC)c1OC"}, {"compound_id": "LB-78386DBE1206", "smiles": "COc1cc(-c2cc(-c3cccs3)n[nH]2)cc(OC)c1OC"}, {"compound_id": "LB-6990CEDC0E2B", "smiles": "COc1cc(-c2cc(-c3cc(C)cs3)n[nH]2)cc(OC)c1OC"}, {"compound_id": "LB-D2246F7ED0E4", "smiles": "COc1ccc(CN(CCN(C)C)c2ccccc2)cc1"}, {"compound_id": "LB-153E54DB433D", "smiles": "COc1ccc(CCN(CCN(C)C)c2ccccc2)cc1"}, {"compound_id": "LB-B91F7746A774", "smiles": "COc1ccc(CN(CCN(C)C)c2ccc(Cl)cc2)cc1"}, {"compound_id": "LB-0B38639B634A", "smiles": "COc1ccc(CCN(CCN(C)C)c2ccc(Cl)cc2)cc1"}, {"compound_id": "LB-1BE6F6AE195D", "smiles": "COc1ccc(CN(CCN(C)C)c2ccc(N)cc2)cc1"}, {"compound_id": "LB-7692281E8234", "smiles": "COc1ccc(CCN(CCN(C)C)c2ccc(N)cc2)cc1"}, {"compound_id": "LB-35FE97BBAE3B", "smiles": "COc1ccc(CN(CCN(C)C)c2ccc(C)cc2)cc1"}, {"compound_id": "LB-F97986DABB57", "smiles": "COc1ccc(CCN(CCN(C)C)c2ccc(C)cc2)cc1"}, {"compound_id": "LB-2258A04681B9", "smiles": "COc1ccc(CCN(CCN(C)C)c2ccccn2)cc1"}, {"compound_id": "LB-64287CCF6DF7", "smiles": "COc1ccc(CN(CCN(C)C)c2ccc(Cl)cn2)cc1"}, {"compound_id": "LB-826DFFA041FF", "smiles": "COc1ccc(CCN(CCN(C)C)c2ccc(Cl)cn2)cc1"}, {"compound_id": "LB-DED56C43E959", "smiles": "COc1ccc(CN(CCN(C)C)c2ccc(N)cn2)cc1"}, {"compound_id": "LB-A2AC1DEEC0C3", "smiles": "COc1ccc(CCN(CCN(C)C)c2ccc(N)cn2)cc1"}, {"compound_id": "LB-1A657F50AE87", "smiles": "COc1ccc(CN(CCN(C)C)c2ccc(C)cn2)cc1"}, {"compound_id": "LB-95F41EBB9A3A", "smiles": "COc1ccc(CCN(CCN(C)C)c2ccc(C)cn2)cc1"}, {"compound_id": "LB-AD2897403319", "smiles": "CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O"}, {"compound_id": "LB-021DC08E1796", "smiles": "CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O"}, {"compound_id": "LB-CC80C6A4ED14", "smiles": "[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O"}, {"compound_id": "LB-36F87F6A9460", "smiles": "[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O"}, {"compound_id": "LB-C82D7ADF87DB", "smiles": "[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O"}, {"compound_id": "LB-08DAA4792FE3", "smiles": "CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O"}, {"compound_id": "LB-6D9EFFE13943", "smiles": "c1ccn2ccnc2c1"}, {"compound_id": "LB-73A8C255E270", "smiles": "c1ccn2cncc2c1"}, {"compound_id": "LB-8B69E2A31FEC", "smiles": "c1cnc2[nH]cnc2c1"}, {"compound_id": "LB-9EE018A2C79A", "smiles": "c1cc2[nH]cnc2cn1"}, {"compound_id": "LB-6ABEFFDDF489", "smiles": "Cn1cnc2cccnc21"}, {"compound_id": "LB-BD7959CB95DE", "smiles": "Cn1cnc2cnccc21"}, {"compound_id": "LB-29531F797D44", "smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCC)c(C(=O)O)c1O"}, {"compound_id": "LB-F123A97428D1", "smiles": "CCCCCc1cc2c(c(O)c1C(=O)O)C=CC(C)(CCC=C(C)C)O2"}, {"compound_id": "LB-0127187BD250", "smiles": "CCCc1cc(O)c(C/C=C(\\C)CCC=C(C)C)c(O)c1C(=O)O"}, {"compound_id": "LB-460F665C1924", "smiles": "CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2"}, {"compound_id": "LB-CF97208CF102", "smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)O)c1O"}, {"compound_id": "LB-910BCB427F0B", "smiles": "CCCCCc1cc(O)c(C/C=C(\\C)CCC=C(C)C)c(O)c1C(=O)O"}, {"compound_id": "LB-AB13336533C6", "smiles": "COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccccc2)CC1"}, {"compound_id": "LB-C34C6F1485F5", "smiles": "COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1"}, {"compound_id": "LB-8A9A6A428DCB", "smiles": "CCn1c(=O)c2c(C)c(C(=O)N3CCC(O)CC3)sc2n(CCC(F)(F)F)c1=O"}, {"compound_id": "LB-65534245CFFB", "smiles": "O=C(O)c1cccc([C@@H]2CCC[C@@H]2c2ncc3nc[nH]c3n2)c1"}, {"compound_id": "LB-D85C7302F54F", "smiles": "CCNCCc1ccccc1-c1ccccc1"}, {"compound_id": "LB-114FD4B04E2D", "smiles": "N[C@@H](Cc1ccc(O)cc1-c1ccccc1)c1ccccc1O"}, {"compound_id": "LB-8F8E2266C075", "smiles": "O[C@@H]1CC[C@@](O)(n2c(-c3ccccc3)nc3ncncc32)OC1"}, {"compound_id": "LB-539D529EEC21", "smiles": "O[C@H]1CO[C@@H](O)C(c2nc3ncncc3n2-c2ccccc2)C1"}, {"compound_id": "LB-4789925EFD8D", "smiles": "c1ccc(-n2c(-n3cnc4ncncc43)nc3cncnc32)cc1"}, {"compound_id": "LB-D71D732E1E67", "smiles": "Oc1cccc(COC2CC[C@@H](O)C(Cc3ccccc3)O2)c1"}, {"compound_id": "LB-03ECB8D446D3", "smiles": "O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1"}, {"compound_id": "LB-889AF9849353", "smiles": "O=CNC(=S)Nc1c(O)cc([N+](=O)[O-])cc1-c1ccccc1"}, {"compound_id": "LB-A1F2AF2B2EF1", "smiles": "O=CNC(=S)Nc1cc(-c2ccccc2)c([N+](=O)[O-])cc1O"}, {"compound_id": "LB-FAB12049701F", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-8315487F89AC", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-CDD06FD896DD", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cnc4ccccc4c3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-19CF9FA2A59F", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CN3CCc4ccccc4C3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-07F63B94FC52", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4c(c3)OCCO4)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-91ED26FDFB20", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cc4ccccc4o3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-C7696606E5D7", "smiles": "CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-AC2420313211", "smiles": "CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-79781023AB46", "smiles": "CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cnc4ccccc4c3)ccc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-9397E83A7772", "smiles": "CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CN3CCc4ccccc4C3)ccc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-8892F9EA71DB", "smiles": "CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4c(c3)OCCO4)ccc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-89F3275CE7B8", "smiles": "CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cc4ccccc4o3)ccc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-686A2C013504", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccccc3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-966197F44A5D", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccc4ccccc4c3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-46F06A65CCF8", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3cnc4ccccc4c3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-F28FF6F83812", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(CN3CCc4ccccc4C3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-02A1C9D274AA", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccc4c(c3)OCCO4)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-715646F5108A", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3cc4ccccc4o3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-D820084C644B", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)c2ccc(Cc3ccccc3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-2A176416EA80", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)c2ccc(Cc3ccc4ccccc4c3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-C6F853CBB24F", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)c2ccc(Cc3cnc4ccccc4c3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-702E9E91FDF2", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)c2ccc(CN3CCc4ccccc4C3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-6E6750904629", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)c2ccc(Cc3ccc4c(c3)OCCO4)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-18046E844B19", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)c2ccc(Cc3cc4ccccc4o3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-0EC170A6D1CD", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccccc3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-B5126B3FF986", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccc4ccccc4c3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-7DE518013929", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3cnc4ccccc4c3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-6FD4B9536601", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(CN3CCc4ccccc4C3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-B92ED7F2BA7A", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3ccc4c(c3)OCCO4)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-B007810CC9D5", "smiles": "Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)c2ccc(Cc3cc4ccccc4o3)cc21.O=C(O)C(F)(F)F"}, {"compound_id": "LB-282024926945", "smiles": "O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCOC[C@H](O)C2)c1"}, {"compound_id": "LB-42A80E50ACAA", "smiles": "O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(S(=O)(=O)N2C[C@H](O)CC[C@H](O)C2)c1"}, {"compound_id": "LB-21E8A9BB9728", "smiles": "O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(S(=O)(=O)N2CCC(O)CC2)c1"}, {"compound_id": "LB-830CE5E9B0FD", "smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1"}, {"compound_id": "LB-C474C358D31C", "smiles": "Cc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1NS(C)(=O)=O"}, {"compound_id": "LB-D75AC04782BB", "smiles": "N#Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)C(F)(F)F)c(F)c2)cc1"}, {"compound_id": "LB-307832189BF1", "smiles": "CN(c1ccc(NC(=O)c2ccc(C#N)cc2)cc1OCc1ccc(C(F)(F)F)cc1)S(=O)(=O)Cc1ccccc1"}, {"compound_id": "LB-5CC1626B0174", "smiles": "C#CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO"}, {"compound_id": "LB-C686C6367C78", "smiles": "C#CC[C@H](NC(=O)c1ccc(OCC#CC)cc1)C(=O)NO"}, {"compound_id": "LB-066FFF6E77AF", "smiles": "C#CC[C@H](NC(=O)c1ccccc1)C(=O)NO"}, {"compound_id": "LB-CBD271FFB71B", "smiles": "O=C(N[C@@H](Cc1cn(C[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)nn1)C(=O)NO)c1ccc(-c2ccccc2)cc1"}, {"compound_id": "LB-C61CD17C9E06", "smiles": "CC#CCOc1ccc(C(=O)N[C@@H](Cc2cn(C[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)nn2)C(=O)NO)cc1"}, {"compound_id": "LB-E5DC3DADC8AA", "smiles": "N[C@@H](Cc1cn(C[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)nn1)C(=O)NO"}, {"compound_id": "LB-A3DC168EBA65", "smiles": "C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO"}, {"compound_id": "LB-75F565367C21", "smiles": "CC#CCOc1ccc(C(=O)N[C@H](C(=O)NO)C(C)(C)N)cc1"}, {"compound_id": "LB-3D4489D40FE9", "smiles": "CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2Cl)c1"}, {"compound_id": "LB-1BAF36458D4C", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-BF3AB1D9FE5E", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-AFA88C8C896F", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCc3ccccc3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-080FEB5BC9E3", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C3CCCC3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-7EA2B895573C", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC3CCC3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-A18121D9C052", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C(c2ccccc2)c2ccccc2)NC1=O"}, {"compound_id": "LB-7C07B06E100A", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC1=O"}, {"compound_id": "LB-EC976399ACE4", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-72501DEDC770", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-8D5285AB52F5", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-0FF313EECF3D", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-60439D961B09", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-C4F6A6E6D4F0", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-5DB12A6C6B13", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N3C[C@@H](O)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC1=O"}, {"compound_id": "LB-FD9EDE10BBF1", "smiles": "CC(=O)C1=C(O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O"}, {"compound_id": "LB-C1BB786DAC5A", "smiles": "NS(=O)(=O)[C@H]1CC=C(CNC(=O)CCCc2c[nH]c3ccccc23)S1"}, {"compound_id": "LB-D70F94ECD325", "smiles": "CCCCC(=O)Nc1cccc(C(=O)NCCCNc2cccnc2)c1"}, {"compound_id": "LB-364F98AB6917", "smiles": "O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1cn(-c2ccccc2)nc1-c1ccccc1"}, {"compound_id": "LB-6853466FA99B", "smiles": "COCC(=O)Nc1c(C(=O)OC)n(CCC(C)C)c2ncc(N[C@@H](C)C(C)(C)O)cc12"}, {"compound_id": "LB-FC024BC3F271", "smiles": "C[C@@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)c1c[nH]c2ccccc12"}, {"compound_id": "LB-7DDF5940FFF3", "smiles": "CCC[C@H](C)NC(=O)CSc1nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2o1"}, {"compound_id": "LB-C63B3AFC8F2A", "smiles": "O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(SC(F)(F)F)cc1)C2"}, {"compound_id": "LB-9074687B2E96", "smiles": "Nc1nc2ccc(OC(F)(F)F)cc2s1"}, {"compound_id": "LB-D58D160E6091", "smiles": "Nc1nc2ccc(SC(F)(F)F)cc2s1"}, {"compound_id": "LB-E2BE906906BE", "smiles": "FC(F)(F)Oc1ccccc1"}, {"compound_id": "LB-65E41B7D81D5", "smiles": "CC(F)(F)Oc1ccccc1"}, {"compound_id": "LB-10FD6AD6DC38", "smiles": "CP(=O)(c1ccccc1)c1ccc(O)cc1"}, {"compound_id": "LB-83F5951E957D", "smiles": "CP(c1ccccc1)c1ccc(O)cc1"}, {"compound_id": "LB-5E1F886B4228", "smiles": "CP(=S)(c1ccccc1)c1ccc(O)cc1"}, {"compound_id": "LB-E9557A913039", "smiles": "CP(=[Se])(c1ccccc1)c1ccc(O)cc1"}, {"compound_id": "LB-F49BE032F436", "smiles": "B.CP(c1ccccc1)c1ccc(O)cc1"}, {"compound_id": "LB-84F52A135542", "smiles": "Oc1ccc(P(c2ccccc2)c2ccccc2)cc1"}, {"compound_id": "LB-DD1BB58D0E3B", "smiles": "O=P(c1ccccc1)(c1ccccc1)c1ccc(O)cc1"}, {"compound_id": "LB-04E1D0E38E29", "smiles": "Oc1ccc(P(=S)(c2ccccc2)c2ccccc2)cc1"}, {"compound_id": "LB-0B1EB726BD1C", "smiles": "Oc1ccc(P(=[Se])(c2ccccc2)c2ccccc2)cc1"}, {"compound_id": "LB-FBAFD4FB32F5", "smiles": "B.Oc1ccc(P(c2ccccc2)c2ccccc2)cc1"}, {"compound_id": "LB-5C8B9820038C", "smiles": "CCCCN1C(=O)C(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)=C(O)C2C1C=NN2C"}, {"compound_id": "LB-ACD242BD1C29", "smiles": "CCCCN1C(=O)C(C(=O)NC23CC4CC(CC(C4)C2)C3)=C(O)C2C1C=NN2C"}, {"compound_id": "LB-5D56AF6688C9", "smiles": "Cn1cc2c(n1)c(O)c(C(=O)NC13CC4CC(CC(O)(C4)C1)C3)c(=O)n2CCCCF"}, {"compound_id": "LB-48C3D1B11AA0", "smiles": "CCCCn1c(=O)c(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c(O)c2nn(C)cc21"}, {"compound_id": "LB-61EBD6347682", "smiles": "CCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2nn(C)cc21"}, {"compound_id": "LB-8F68C76A6C49", "smiles": "CCOC(CN1C(=O)C(NC(=O)Nc2ccc(C)cc2)(C(F)(F)C(=O)Nc2ccc(C)cc2)c2ccccc21)OCC"}, {"compound_id": "LB-3D933C3F51E2", "smiles": "Cc1nc(OCC(=O)N(C)C2CCN(Cc3ncccc3F)CC2)nc(C)c1N"}, {"compound_id": "LB-4690653AC9A1", "smiles": "Cc1nc(OCC(=O)N(C)C2CCN(Cc3ncccn3)CC2)nc(C)c1N"}, {"compound_id": "LB-F4B84126F15B", "smiles": "Cc1nc(OCC(=O)N(C)C2CCN(CC(F)F)CC2)nc(C)c1N"}, {"compound_id": "LB-D1B330B1A58A", "smiles": "Cc1nc(OCC(=O)N(C)C2CCN(CC(F)(F)F)CC2)nc(C)c1N"}, {"compound_id": "LB-49B84C967AC6", "smiles": "Cc1nc(OCC(=O)N(C)C2CCN(CC3CC3(F)F)CC2)nc(C)c1N.Cl"}, {"compound_id": "LB-13761B229DD6", "smiles": "Cc1nc(OCC(=O)N(C)C2CCN(CC(C)(C)O)CC2)nc(C)c1N"}, {"compound_id": "LB-4FE2429329FE", "smiles": "Cc1nc(OCC(=O)N(C)C2CCN(C3COC3)CC2)nc(C)c1N"}, {"compound_id": "LB-1446273A70D9", "smiles": "Cc1nc(OCC(=O)N(C)C2CCN(C3(C)COC3)CC2)nc(C)c1N"}, {"compound_id": "LB-5436D3EF1D57", "smiles": "Cc1nc(OCC(=O)N(C)C2CCN(Cc3ccccc3)C2)nc(C)c1N.Cl"}, {"compound_id": "LB-F44C6F560590", "smiles": "Cc1nc(OCC(=O)N(C)[C@H]2CN(Cc3ccccc3)C[C@@H]2O)nc(C)c1N"}, {"compound_id": "LB-D536B62DEB4E", "smiles": "Cc1nc(OCC(=O)N(C)C2CN(Cc3ccccc3)CC2F)nc(C)c1N"}, {"compound_id": "LB-4C8E682DB5AE", "smiles": "Cc1nc(OCC(=O)N(C)C2CN(Cc3ccccc3)C2)nc(C)c1N"}, {"compound_id": "LB-8E22C6FDD205", "smiles": "Cc1nc(OCC(=O)N2CC[C@@H]3[C@H]2CN3Cc2ccccc2)nc(C)c1N.Cl"}, {"compound_id": "LB-FAEA27CC77AC", "smiles": "CN(C(=O)COc1ccc(Cl)nn1)C1CCN(Cc2ncccc2F)CC1"}, {"compound_id": "LB-6508E2332C62", "smiles": "CN(C(=O)COc1ccc(Cl)nn1)C1CCN(CC(F)(F)F)CC1"}, {"compound_id": "LB-B34D47643E6D", "smiles": "CN(C(=O)COc1ccc(Cl)nn1)C1CCN(CC2CC2(F)F)CC1"}, {"compound_id": "LB-A4D157337F6B", "smiles": "Cc1nc(OCC(=O)N(C)C2CN(Cc3ccccc3)CC2F)nc(C)c1N.Cl"}, {"compound_id": "LB-2B5E2504AC15", "smiles": "CC[C@H]1c2c(cc(F)c(F)c2O)[C@H](Nc2cccc3[nH]c(=O)ccc23)[C@@](O)(C(F)(F)F)C1OC"}, {"compound_id": "LB-043AE51B8548", "smiles": "CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F"}, {"compound_id": "LB-2FCD074B265C", "smiles": "CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(C)cc1)C(F)(F)F"}, {"compound_id": "LB-E5A1B78B61F0", "smiles": "CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)cc1)C(F)(F)F"}, {"compound_id": "LB-B5EBC6C3F0BC", "smiles": "CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1cccc(F)c1OC)C(F)(F)F"}, {"compound_id": "LB-7A67F502B22D", "smiles": "CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(F)cc1OC)C(F)(F)F"}, {"compound_id": "LB-47B8B7BCF294", "smiles": "CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)cc1F)C(F)(F)F"}, {"compound_id": "LB-592D32E5E321", "smiles": "CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1)C(F)(F)F"}, {"compound_id": "LB-CC7D6959E3F1", "smiles": "CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(Cl)c(F)c1OC)C(F)(F)F"}, {"compound_id": "LB-4C88F4E3E858", "smiles": "CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(Cl)c(F)c1O)C(F)(F)F"}, {"compound_id": "LB-F70874A37636", "smiles": "COc1ccc([C@H](Nc2cccc3nc(C)ccc23)[C@](O)(CSC)C(F)(F)F)c(Cl)c1F"}, {"compound_id": "LB-C92F89F4DE67", "smiles": "COC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F"}, {"compound_id": "LB-9D812A7DFA11", "smiles": "COc1ccc([C@H](Nc2cccc3nc(C)ccc23)[C@](O)(CC#N)C(F)(F)F)c(Cl)c1F"}, {"compound_id": "LB-799C5215DB7A", "smiles": "COc1ccc([C@H](Nc2cccc3nc(C)ccc23)[C@](O)(CN(C)C)C(F)(F)F)c(Cl)c1F"}, {"compound_id": "LB-E2F1F966FBE0", "smiles": "CCSC[C@@](O)([C@@H](Nc1cc(F)cc2[nH]c(=O)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F"}, {"compound_id": "LB-D8538FC914EF", "smiles": "COc1ccc([C@H](Nc2cc(F)cc3[nH]c(=O)ccc23)[C@](O)(CSC)C(F)(F)F)c(Cl)c1F"}, {"compound_id": "LB-846B26B8A51F", "smiles": "COc1ccc([C@H](Nc2cc(F)cc3[nH]c(=O)ccc23)[C@](O)(CO)C(F)(F)F)c(Cl)c1F"}, {"compound_id": "LB-18843A53C7E3", "smiles": "CCOC[C@@](O)([C@@H](Nc1cc(F)cc2[nH]c(=O)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F"}, {"compound_id": "LB-DFD60A447BFE", "smiles": "COc1ccc([C@H](Nc2cc(F)cc3[nH]c(=O)ccc23)[C@](O)(CN(C)C)C(F)(F)F)c(Cl)c1F"}, {"compound_id": "LB-4EB4BA7F24AE", "smiles": "COC[C@@](O)([C@@H](Nc1cc(F)cc2[nH]c(=O)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F"}, {"compound_id": "LB-19431DAB3A68", "smiles": "CCOC(=O)c1cn(C2CC2)c2cc(N3CCN(c4c5ccc(Cl)cc5nc5ccc(OC)cc45)CC3)c(F)cc2c1=O"}, {"compound_id": "LB-9DF7612D0562", "smiles": "CCOC(=O)c1cn(C2CC2)c2cc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)c(F)cc2c1=O"}, {"compound_id": "LB-F8BF9D6A0596", "smiles": "CCOC(=O)c1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)c(F)cc2c1=O"}, {"compound_id": "LB-49803B3D4C10", "smiles": "CCOC(=O)c1cn(C2CC2)c2cc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)c(F)cc2c1=O"}, {"compound_id": "LB-813D5365110D", "smiles": "COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC"}, {"compound_id": "LB-C357DB674356", "smiles": "O=C(N[C@@H](CSCc1cc(=O)oc2cc(O)ccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21"}, {"compound_id": "LB-7C58A0FD7B7E", "smiles": "CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O"}, {"compound_id": "LB-ED000ECFEF88", "smiles": "CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)O"}, {"compound_id": "LB-8EB4462F7508", "smiles": "CC(C)(C)c1cc(NC(=O)CN2CCOCC2)no1"}, {"compound_id": "LB-E999CCBFBF30", "smiles": "Cc1cc(NC(=O)CCl)no1"}, {"compound_id": "LB-0B3BD184BB28", "smiles": "Cc1cc(NC(=O)CN2CCOCC2)no1"}, {"compound_id": "LB-09C0798C9B7E", "smiles": "CC(C)(C)c1cc(NC(=O)CCl)no1"}, {"compound_id": "LB-F136E443B27C", "smiles": "Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)no1"}, {"compound_id": "LB-26389E7B4E4D", "smiles": "CCN1CCN(CC(=O)Nc2cc(C(C)(C)C)on2)CC1"}, {"compound_id": "LB-8454B2FA14F6", "smiles": "CCN1CCN(CC(=O)Nc2cc(C)on2)CC1"}, {"compound_id": "LB-3F5BA31AD553", "smiles": "CN1CCN(CC(=O)Nc2cc(C(C)(C)C)on2)CC1"}, {"compound_id": "LB-723C33C2967A", "smiles": "Cc1cc(NC(=O)CN2CCN(C)CC2)no1"}, {"compound_id": "LB-A646CB6DCDE7", "smiles": "CC(C)(C)c1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)no1"}, {"compound_id": "LB-255150CE0612", "smiles": "Cc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)no1"}, {"compound_id": "LB-7540C812E3DD", "smiles": "CC(C)(C)c1cc(NC(=O)CN2CCN(c3ccccc3)CC2)no1"}, {"compound_id": "LB-201769458E2A", "smiles": "Cc1cc(NC(=O)CCN2CCN(C)CC2)no1"}, {"compound_id": "LB-39C3E7B42E3F", "smiles": "CN1CCN(CCC(=O)Nc2cc(C(C)(C)C)on2)CC1"}, {"compound_id": "LB-511FE88BE35D", "smiles": "CCN1CCN(CCC(=O)Nc2cc(C)on2)CC1"}, {"compound_id": "LB-267CBB16A59D", "smiles": "CCN1CCN(CCC(=O)Nc2cc(C(C)(C)C)on2)CC1"}, {"compound_id": "LB-C077B89610B2", "smiles": "Cc1cc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)no1"}, {"compound_id": "LB-77DBF98441D4", "smiles": "CC(C)(C)c1cc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)no1"}, {"compound_id": "LB-027D01EA4F73", "smiles": "Cc1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)no1"}, {"compound_id": "LB-28B2BE8299FC", "smiles": "CC(C)(C)c1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)no1"}, {"compound_id": "LB-9B136E4F46F6", "smiles": "Cc1cc(NC2=NC(=O)CS2)no1"}, {"compound_id": "LB-74143327267C", "smiles": "CC(C)(C)c1cc(NC2=NC(=O)CS2)no1"}, {"compound_id": "LB-ED9633C801B0", "smiles": "Cc1ccc(/C=C2/SC(Nc3cc(C)on3)=NC2=O)cc1"}, {"compound_id": "LB-82BCB404ECB1", "smiles": "Cc1ccc(/C=C2/SC(Nc3cc(C(C)(C)C)on3)=NC2=O)cc1"}, {"compound_id": "LB-E769C259C0DD", "smiles": "Cc1cc(NC2=NC(=O)/C(=C\\c3ccc(Br)cc3)S2)no1"}, {"compound_id": "LB-377426ABCF31", "smiles": "CC(C)(C)c1cc(NC2=NC(=O)/C(=C\\c3ccc(Br)cc3)S2)no1"}, {"compound_id": "LB-B572AB2838A1", "smiles": "Cc1cc(NC2=NC(=O)/C(=C\\c3ccc(-c4ccccc4)cc3)S2)no1"}, {"compound_id": "LB-54A0E454B66D", "smiles": "CC(C)(C)c1cc(NC2=NC(=O)/C(=C\\c3ccc(-c4ccccc4)cc3)S2)no1"}, {"compound_id": "LB-DFBCFFCBE099", "smiles": "Cc1cc(NC2=NC(=O)/C(=C\\c3ccc4ccccc4c3)S2)no1"}, {"compound_id": "LB-416A202117E5", "smiles": "CC(C)(C)c1cc(NC2=NC(=O)/C(=C\\c3ccc4ccccc4c3)S2)no1"}, {"compound_id": "LB-685E50F8C23F", "smiles": "CSC(=S)NCCNC(=O)CCC(=O)Nc1cccc2ccccc12"}, {"compound_id": "LB-25ABD23E6737", "smiles": "CCCCCCCCCCCCCn1cc(COc2ccccc2O)nn1"}, {"compound_id": "LB-B58097256A85", "smiles": "CCN1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@H](C)C1=O"}, {"compound_id": "LB-9257267F32A5", "smiles": "CNC1(c2ccccc2Cl)CCCCC1=O"}, {"compound_id": "LB-D874DC13925F", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21"}, {"compound_id": "LB-C1B878DE021D", "smiles": "CCCn1c(NC(=O)Cc2ccccc2)nc2ccccc21"}, {"compound_id": "LB-8F847A9CCDB1", "smiles": "CCCn1c(NC(=O)Cc2ccc(Br)cc2)nc2ccccc21"}, {"compound_id": "LB-7758F8D8D1C1", "smiles": "CCCn1c(NC(=O)Cc2ccc(F)cc2)nc2ccccc21"}, {"compound_id": "LB-1B9FE7CC1DF2", "smiles": "CCCn1c(NC(=O)Cc2ccc(OC(C)=O)cc2)nc2ccccc21"}, {"compound_id": "LB-1ADA91F58429", "smiles": "CCCn1c(NC(=O)Cc2ccc(O)cc2)nc2ccccc21"}, {"compound_id": "LB-E3618CCB46FA", "smiles": "CCCn1c(NC(=O)Cc2ccc(OC)cc2)nc2ccccc21"}, {"compound_id": "LB-E140FADEFD0B", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)nc2)nc2ccccc21"}, {"compound_id": "LB-6843CCD70A4D", "smiles": "CCCn1c(NC(=O)Cc2ccc(C(F)(F)F)cc2)nc2ccccc21"}, {"compound_id": "LB-A2666E4D97E0", "smiles": "CCCn1c(NC(=O)Cc2ccc(OC(F)(F)F)cc2)nc2ccccc21"}, {"compound_id": "LB-14840A3F7981", "smiles": "CCCn1c(NC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21"}, {"compound_id": "LB-6C0271217FA8", "smiles": "CCCn1c(NC(=O)Cc2ccc3ccccc3c2)nc2ccccc21"}, {"compound_id": "LB-429A9027AF7E", "smiles": "CCCCC(=O)Nc1nc2ccccc2n1CCC"}, {"compound_id": "LB-7AEC57C4FA6B", "smiles": "CCCCCCCCC(=O)Nc1nc2ccccc2n1CCC"}, {"compound_id": "LB-DB2AC31C564B", "smiles": "CCCn1c(NC(=O)Cc2ccccc2Cl)nc2ccccc21"}, {"compound_id": "LB-DBCEDEC50108", "smiles": "CCCn1c(NC(=O)Cc2ccccc2Br)nc2ccccc21"}, {"compound_id": "LB-59D8F8DE0BBC", "smiles": "CCCn1c(NC(=O)Cc2ccccc2F)nc2ccccc21"}, {"compound_id": "LB-D4EEC52CD7F2", "smiles": "CCCn1c(NC(=O)Cc2ccccc2C)nc2ccccc21"}, {"compound_id": "LB-EBB630950B1C", "smiles": "CCCn1c(NC(=O)Cc2ccccc2OC)nc2ccccc21"}, {"compound_id": "LB-20AD88D1AB6D", "smiles": "CCCn1c(NC(=O)Cc2cccc(Cl)c2)nc2ccccc21"}, {"compound_id": "LB-B24B1B0FFB87", "smiles": "CCCn1c(NC(=O)Cc2cccc(Br)c2)nc2ccccc21"}, {"compound_id": "LB-2DCF7D390C09", "smiles": "CCCn1c(NC(=O)Cc2cccc(F)c2)nc2ccccc21"}, {"compound_id": "LB-34E99153BFE5", "smiles": "CCCn1c(NC(=O)Cc2cccc(C)c2)nc2ccccc21"}, {"compound_id": "LB-07425C0C44E2", "smiles": "CCCn1c(NC(=O)Cc2cccc(OC)c2)nc2ccccc21"}, {"compound_id": "LB-42F7D4E52577", "smiles": "CCCn1c(NC(=O)Cc2cccc3ccccc23)nc2ccccc21"}, {"compound_id": "LB-AF3525BE25C5", "smiles": "O=C(Cc1ccc(Cl)cc1)Nc1nc2ccccc2[nH]1"}, {"compound_id": "LB-A54773A26BE9", "smiles": "Cn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21"}, {"compound_id": "LB-8EC26A8F267E", "smiles": "CCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21"}, {"compound_id": "LB-0C499EEDAE16", "smiles": "CCCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21"}, {"compound_id": "LB-4E4FDE88147A", "smiles": "CCCCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21"}, {"compound_id": "LB-FF57608EE83F", "smiles": "CCCn1c(NC(=O)c2ccccc2)nc2ccccc21"}, {"compound_id": "LB-1948EF0354CD", "smiles": "CCCn1c(NC(=O)/C=C/c2ccccc2)nc2ccccc21"}, {"compound_id": "LB-1D5DB522FE11", "smiles": "CCCn1c(NC(=O)CCc2ccccc2)nc2ccccc21"}, {"compound_id": "LB-4FA382340E96", "smiles": "CCCn1c(NC(=O)CCCc2ccccc2)nc2ccccc21"}, {"compound_id": "LB-9B4121721F0C", "smiles": "CCCn1c(NC(=O)Nc2ccc(Cl)cc2)nc2ccccc21"}, {"compound_id": "LB-C1A1C487274D", "smiles": "CCCn1c(C(=O)NCc2ccc(Cl)cc2)nc2ccccc21"}, {"compound_id": "LB-857F578B141F", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2c(Br)cccc21"}, {"compound_id": "LB-1575AE2E1E39", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2c(OC)cccc21"}, {"compound_id": "LB-101A24307D16", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2cc(Cl)ccc21"}, {"compound_id": "LB-11235AD3BC50", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2cc(Br)ccc21"}, {"compound_id": "LB-ADB0D39C092E", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccc(Cl)cc21"}, {"compound_id": "LB-B4741D3AEB07", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccc(Br)cc21"}, {"compound_id": "LB-8AE8793FC7DC", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccc(F)cc21"}, {"compound_id": "LB-BFADEA1E2156", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccc(C)cc21"}, {"compound_id": "LB-3E5F3D497FCE", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2cccc(Br)c21"}, {"compound_id": "LB-160A75E5C4A5", "smiles": "CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2cccc(C)c21"}, {"compound_id": "LB-A4CF02A4EED7", "smiles": "C=CCc1c(NC(=O)Cc2ccc(Cl)cc2)ncc2ccccc12"}, {"compound_id": "LB-8C1FFC06A94C", "smiles": "CCCc1c(NC(=O)Cc2ccc(Cl)cc2)ncc2ccccc12"}, {"compound_id": "LB-9764DC327785", "smiles": "C[C@@H]1OCC2(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC2)[C@@H]1N"}, {"compound_id": "LB-5F5E16170977", "smiles": "CC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1"}, {"compound_id": "LB-9F0DC390F0AC", "smiles": "CC1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1"}, {"compound_id": "LB-33EB17783CE7", "smiles": "CC1(N)CCN(c2cnc(Sc3ccccc3Cl)c(N)n2)CC1"}, {"compound_id": "LB-8D88DB52E899", "smiles": "CC1(N)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1"}, {"compound_id": "LB-AC50E9DA31EA", "smiles": "CC1(CN)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1"}, {"compound_id": "LB-78B88A477146", "smiles": "CC1(CN)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1"}, {"compound_id": "LB-1842480311B2", "smiles": "CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1"}, {"compound_id": "LB-9377E25D5031", "smiles": "Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F"}, {"compound_id": "LB-AE1F24E9824C", "smiles": "Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnc(N)c1Cl"}, {"compound_id": "LB-D855083D7C83", "smiles": "Nc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)cn2)c1Cl"}, {"compound_id": "LB-00A523DE1270", "smiles": "Nc1nc(N2CCC3(CC2)COC[C@H]3N)cnc1Sc1ccnc(N)c1Cl"}, {"compound_id": "LB-EE235F065A99", "smiles": "Cc1cccc(-c2noc(O)n2)c1"}, {"compound_id": "LB-F9A42C50CC04", "smiles": "Cc1cccc(Cc2noc(O)n2)c1"}, {"compound_id": "LB-50E03EF68B77", "smiles": "Cc1cccc(-c2nsc(O)n2)c1"}, {"compound_id": "LB-2FBF7F98EE82", "smiles": "Cc1cccc(Cc2nsc(O)n2)c1"}, {"compound_id": "LB-FE2062FE7A0A", "smiles": "Cc1cccc(-c2noc(S)n2)c1"}, {"compound_id": "LB-F38CA75E595D", "smiles": "Cc1cccc(Cc2noc(S)n2)c1"}, {"compound_id": "LB-D38E7A0C5E4A", "smiles": "Cc1cccc(-c2nnn[nH]2)c1"}, {"compound_id": "LB-81C7BD916529", "smiles": "Cc1cccc(Cc2nnn[nH]2)c1"}, {"compound_id": "LB-69A9AF0E966C", "smiles": "Cc1cccc(CC(=O)NS(C)(=O)=O)c1"}, {"compound_id": "LB-08E8199CF3C8", "smiles": "Cc1cccc(C2=C(O)COC2=O)c1"}, {"compound_id": "LB-B3C03C6B8374", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CCOCC2)CC1"}, {"compound_id": "LB-03852C933766", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)c2cc[nH]c2)CC1"}, {"compound_id": "LB-DE6F733CC45B", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)c2ccoc2)CC1"}, {"compound_id": "LB-1205112F832A", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)[C@@H]2CCOC2)CC1"}, {"compound_id": "LB-CFAA4728EA85", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2=COCC2)CC1"}, {"compound_id": "LB-FE689D4BC6D9", "smiles": "Cc1occc1C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1"}, {"compound_id": "LB-32D80933BC64", "smiles": "Cc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1"}, {"compound_id": "LB-90EE4072F3C6", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CCCOC2)CC1"}, {"compound_id": "LB-D95724A70850", "smiles": "O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CCOC2)CC1"}, {"compound_id": "LB-CC804890976C", "smiles": "O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CCOCC2)CC1"}, {"compound_id": "LB-2FBD546435C1", "smiles": "O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)c2ccoc2)CC1"}, {"compound_id": "LB-51A98F7B24FD", "smiles": "O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)[C@@H]2CCOC2)CC1"}, {"compound_id": "LB-A6242D3BBF53", "smiles": "O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2=COCC2)CC1"}, {"compound_id": "LB-836B354FF4A1", "smiles": "Cc1occc1C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1"}, {"compound_id": "LB-445700347FF7", "smiles": "Cc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1"}, {"compound_id": "LB-D2F938034811", "smiles": "O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CCCOC2)CC1"}, {"compound_id": "LB-2F42A15874D0", "smiles": "O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)c2cc[nH]c2)CC1"}, {"compound_id": "LB-9D041EB493BF", "smiles": "O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CCOC2)CC1"}, {"compound_id": "LB-CCDFBB65AE08", "smiles": "CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"}, {"compound_id": "LB-20CE75FE8FCC", "smiles": "CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cn2)CC1"}, {"compound_id": "LB-9F4331EFB14D", "smiles": "CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1"}, {"compound_id": "LB-C49737B4CADF", "smiles": "CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)CC1"}, {"compound_id": "LB-4E787FE43BBA", "smiles": "CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(C(F)(F)F)c2)CC1"}, {"compound_id": "LB-4D21F82B22A6", "smiles": "CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"}, {"compound_id": "LB-95D5D0BE29D7", "smiles": "CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1"}, {"compound_id": "LB-B3B13292762D", "smiles": "CCC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"}, {"compound_id": "LB-701EC213A2EC", "smiles": "O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CC2)CC1"}, {"compound_id": "LB-F812FE4C8298", "smiles": "O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)[C@@H]2CCOC2)CC1"}, {"compound_id": "LB-58BE438E7313", "smiles": "O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CCCOC2)CC1"}, {"compound_id": "LB-269547D32CF2", "smiles": "O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CCOCC2)CC1"}, {"compound_id": "LB-C42A5B93EE0C", "smiles": "CCC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1"}, {"compound_id": "LB-9B0622F0275E", "smiles": "O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CC2)CC1"}, {"compound_id": "LB-138F2563E0CD", "smiles": "O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)[C@@H]2CCOC2)CC1"}, {"compound_id": "LB-63664FDA3C1D", "smiles": "CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1"}, {"compound_id": "LB-AA79C66E0323", "smiles": "O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CCCOC2)CC1"}, {"compound_id": "LB-3AFD53EAA8AE", "smiles": "O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2CCOCC2)CC1"}, {"compound_id": "LB-95F1D80645E3", "smiles": "CC(C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"}, {"compound_id": "LB-A94C7565766C", "smiles": "O=C(CC1CCN(C(=O)C2CC2)CC1)Nc1ccc(OC(F)(F)F)c(F)c1"}, {"compound_id": "LB-C62970C8A34D", "smiles": "CC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"}, {"compound_id": "LB-33AF45A828FC", "smiles": "O=C(Nc1ccc(C(F)(F)F)c(F)c1)NC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1"}, {"compound_id": "LB-D9AB47BF743D", "smiles": "O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)C2(C(F)(F)F)CC2)CC1"}, {"compound_id": "LB-B0E3BC8B48EA", "smiles": "CCOC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1"}, {"compound_id": "LB-60E605A9FCF8", "smiles": "CCOC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1"}, {"compound_id": "LB-BCB0EBE21026", "smiles": "O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)N2CCOCC2)CC1"}, {"compound_id": "LB-63B0C6426B5B", "smiles": "CCOc1cccc(Nc2nn(C)c3c2Cc2cc(OCC)c(OCCCN)cc2-3)c1"}, {"compound_id": "LB-4693E0FCA84E", "smiles": "CCOc1cc2c(cc1OCCCN)-c1c(c(Nc3cccc(C(=O)CC)n3)nn1C)C2.Cl.Cl"}, {"compound_id": "LB-64D13FC82370", "smiles": "CCOc1cccc(Nc2nn(C)c3c2Cc2cc(OCC)c(OCC(N)=O)cc2-3)c1"}, {"compound_id": "LB-4062DE495792", "smiles": "CC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12"}, {"compound_id": "LB-4CCCE591835E", "smiles": "O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2cc(Cl)nn2c1C1CC1"}, {"compound_id": "LB-E69CA064C8B8", "smiles": "O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cnc2cc(Cl)nn2c1C1CCOCC1"}, {"compound_id": "LB-6BB7236DE439", "smiles": "COC[C@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12"}, {"compound_id": "LB-7D2B0CDE0A7B", "smiles": "COC[C@@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12"}, {"compound_id": "LB-2EE84D382D8E", "smiles": "COCc1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12"}, {"compound_id": "LB-22966FBA4CCC", "smiles": "CO[C@@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12"}, {"compound_id": "LB-0615D11E6EC4", "smiles": "CO[C@@H](C)c1c(NC(=O)Nc2ccnc(C(F)(F)F)c2)cnc2cc(Cl)nn12"}, {"compound_id": "LB-9F6ABE65CC97", "smiles": "CC(=O)N1CCN(CCOCc2ccn(-c3ccc(F)c(F)c3)n2)CC1.Cl"}, {"compound_id": "LB-B0C61BACB469", "smiles": "C[C@@H](c1cc(OCC(F)F)ccn1)n1cnc2c(N)nc(Cl)nc21"}, {"compound_id": "LB-54DEE7858B6F", "smiles": "c1ccc2c(c1)ncc1cc3c(cc12)[nH]c1ccccc13"}, {"compound_id": "LB-236B1B436DEC", "smiles": "Fc1ccc2c(c1)ncc1cc3c(cc12)[nH]c1ccccc13"}, {"compound_id": "LB-5EB04BF56602", "smiles": "O=C1c2c[n+]([O-])c3ccccc3c2C(=O)c2[nH]c3ccccc3c21"}, {"compound_id": "LB-73F279FF8D0A", "smiles": "O=C1c2[nH]c3ccccc3c2C(=O)c2cnc3ccccc3c21"}, {"compound_id": "LB-BA130CCCB776", "smiles": "O=C1c2[nH]c3ccccc3c2C(=O)c2cnc3cc(F)ccc3c21"}, {"compound_id": "LB-EE5B8B0AAB9C", "smiles": "CN(Cc1ccccc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"}, {"compound_id": "LB-F4C20A60FC5A", "smiles": "CCN(Cc1ccccc1)Cc1nn(-c2ccccc2F)c2c1CCS(=O)(=O)O2"}, {"compound_id": "LB-5188C4A7FC91", "smiles": "O=S1(=O)CCc2c(CN(CCO)Cc3ccccc3)nn(-c3ccccc3F)c2O1"}, {"compound_id": "LB-A807AEF8B739", "smiles": "O=S1(=O)CCc2c(CN(CCO)Cc3ccc(F)cc3)nn(-c3ccccc3F)c2O1"}, {"compound_id": "LB-1FD4A2BB26FC", "smiles": "O=S1(=O)CCc2c(CN(CCO)Cc3ccc(Br)cc3)nn(-c3ccccc3F)c2O1"}, {"compound_id": "LB-93557B8C2428", "smiles": "CC(=O)NCCCCCCn1ccc(=O)c(O)c1C"}, {"compound_id": "LB-AE445D9FC353", "smiles": "CC(=O)NCCOCCOCCn1ccc(=O)c(O)c1C"}, {"compound_id": "LB-7F9809F5416C", "smiles": "O=C(Oc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1"}, {"compound_id": "LB-6F611B9FE5F2", "smiles": "OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-9F677257628C", "smiles": "CC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1"}, {"compound_id": "LB-4AB4ABE70640", "smiles": "COc1ccc(-c2nc(N/N=C/c3ccc(Br)cc3)[nH]c(=O)c2C#N)cc1"}, {"compound_id": "LB-B75632AD89ED", "smiles": "COc1ccc(-c2nc(N/N=C/c3ccc(O)cc3)[nH]c(=O)c2C#N)cc1"}, {"compound_id": "LB-2DC80003D048", "smiles": "COc1ccc(-c2nc(N/N=C/c3cccc(F)c3)[nH]c(=O)c2C#N)cc1"}, {"compound_id": "LB-073184A68FF5", "smiles": "COCCn1cnc2cc(NC(=O)c3ccccc3)cc(C(=O)NCc3cc(F)cc(F)c3)c21"}, {"compound_id": "LB-ECB33AF4282A", "smiles": "COc1cc2nc(N3CCN(C(=O)CCCCCCCCCCC(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC"}, {"compound_id": "LB-26D85743B3EE", "smiles": "COc1cc2nc(N3CCN(C(=O)OCCOC(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)CC3)nc(N)c2cc1OC"}, {"compound_id": "LB-6699E25FF915", "smiles": "COc1cc2nc(N3CCN(C(=O)Oc4ccc(C(C)(C)c5ccc(OC(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)cc5)cc4)CC3)nc(N)c2cc1OC"}, {"compound_id": "LB-B894716BE49D", "smiles": "COc1cc2nc(N3CCN(C(=O)c4cccc(NC(=O)OCCOCCOCCOC(=O)Nc5cccc(C(=O)N6CCN(c7nc(N)c8cc(OC)c(OC)cc8n7)CC6)c5)c4)CC3)nc(N)c2cc1OC"}, {"compound_id": "LB-C56877D8DEA8", "smiles": "CCOC(=O)CNP(=O)(OC[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1)Oc1ccccc1"}, {"compound_id": "LB-AC80F85AA837", "smiles": "CC1(C[S+]([O-])CC2(C)COC2)COC1"}, {"compound_id": "LB-4C5DEA804EA2", "smiles": "Cc1cc(-c2csc(NC(=O)[C@@H](N)NCC(=O)O)n2)c(C)n1C"}, {"compound_id": "LB-FF260CC1F6BB", "smiles": "CCn1c(C)cc(-c2csc(NC(=O)[C@@H](N)NCC(=O)O)n2)c1C"}, {"compound_id": "LB-21914CB9697E", "smiles": "COc1ccc2[nH]cc(-c3cc(C)n[nH]c3=O)c2c1"}, {"compound_id": "LB-AC2827466BC4", "smiles": "CCC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C"}, {"compound_id": "LB-397478F2F42B", "smiles": "CCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(Cl)cc2)n1"}, {"compound_id": "LB-7E12361B5628", "smiles": "NS(=O)(=O)c1ccc(-c2cc(C(=O)N3CC4CC4C3)nn2-c2ccc(Cl)cc2)cc1"}, {"compound_id": "LB-9BBA2FF615D7", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCc1ccccc1)c1sccc1C"}, {"compound_id": "LB-1255118BCFF2", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCc1ccccc1Cl)c1sccc1C"}, {"compound_id": "LB-0A4B5ED76EDB", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCc1ccc(Cl)cc1)c1sccc1C"}, {"compound_id": "LB-277B096C1457", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCc1ccc(F)cc1)c1sccc1C"}, {"compound_id": "LB-E1249FE18027", "smiles": "Cc1ccc(CNC(=O)C(CCO)N(C)CCC=C(c2sccc2C)c2sccc2C)cc1"}, {"compound_id": "LB-80EC94B5131C", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCc1ccc(F)cc1F)c1sccc1C"}, {"compound_id": "LB-F86B5553EE16", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NCCc1ccc(F)cc1)c1sccc1C"}, {"compound_id": "LB-7D3A6997BA79", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)NC(C)c1ccccc1)c1sccc1C"}, {"compound_id": "LB-863DB8A39E47", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCO)C(=O)N1CCOCC1)c1sccc1C"}, {"compound_id": "LB-31711D1A9297", "smiles": "Cc1ccsc1C(=CCCN(C)C(CC(C)O)C(=O)NCc1ccccc1)c1sccc1C"}, {"compound_id": "LB-409ACCC85183", "smiles": "Cc1ccsc1C(=CCCN(C)C(CC(C)O)C(=O)NCc1ccccc1Cl)c1sccc1C"}, {"compound_id": "LB-DFECD0900F55", "smiles": "Cc1ccsc1C(=CCCN(C)C(CC(C)O)C(=O)NCc1ccc(Cl)cc1)c1sccc1C"}, {"compound_id": "LB-B872D211B50E", "smiles": "Cc1ccsc1C(=CCCN(C)C(CC(C)O)C(=O)NCc1ccc(F)cc1)c1sccc1C"}, {"compound_id": "LB-028949A42CCC", "smiles": "Cc1ccc(CNC(=O)C(CC(C)O)N(C)CCC=C(c2sccc2C)c2sccc2C)cc1"}, {"compound_id": "LB-74736AD96E6F", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCN)C(=O)NCc1ccccc1)c1sccc1C"}, {"compound_id": "LB-68A2906E703E", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCN)C(=O)NCc1ccccc1Cl)c1sccc1C"}, {"compound_id": "LB-AF09F344DE0D", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCN)C(=O)NCc1ccc(Cl)cc1)c1sccc1C"}, {"compound_id": "LB-063F254DF782", "smiles": "Cc1ccsc1C(=CCCN(C)C(CCN)C(=O)NCc1ccc(F)cc1)c1sccc1C"}, {"compound_id": "LB-5D7E450103C4", "smiles": "Cc1ccc(CNC(=O)C(CCN)N(C)CCC=C(c2sccc2C)c2sccc2C)cc1"}, {"compound_id": "LB-07B9ACA18E2F", "smiles": "CC(=O)NCCC(C(=O)NCc1ccccc1Cl)N(C)CCC=C(c1sccc1C)c1sccc1C"}, {"compound_id": "LB-13A99CD72191", "smiles": "Cc1ccsc1C(=CCCN(C)C(CO)C(=O)NCc1ccccc1)c1sccc1C"}, {"compound_id": "LB-7E1485DD089F", "smiles": "Cc1ccsc1C(=CCCN(C)C(CO)C(=O)NCc1ccc(Cl)cc1)c1sccc1C"}, {"compound_id": "LB-C38281612F0B", "smiles": "Cc1ccsc1C(=CCCN(C)C(CO)C(=O)NCc1ccc(F)cc1)c1sccc1C"}, {"compound_id": "LB-2154920F955A", "smiles": "O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O"}, {"compound_id": "LB-60D4B1E86EDB", "smiles": "O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1"}, {"compound_id": "LB-377318C20FCF", "smiles": "O=C(Oc1cc(O)ccc1C(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1"}, {"compound_id": "LB-FF0492D8ADC9", "smiles": "CC1=C(I)C(C)=[N+]2C1=Cc1c(C)c(I)c(C)n1[B-]2(OCC[N+](C)(C)C)OCC[N+](C)(C)C.[I-].[I-]"}, {"compound_id": "LB-E1F7C99FDC96", "smiles": "CC1=C(I)C(C)=[N+]2C1=Cc1c(C)c(I)c(C)n1[B-]2(OCCC[N+](C)(C)C)OCCC[N+](C)(C)C.[I-].[I-]"}, {"compound_id": "LB-04ADA7773B7C", "smiles": "CC[N+](C)(CC)CCO[B-]1(OCC[N+](C)(CC)CC)n2c(C)c(I)c(C)c2C=C2C(C)=C(I)C(C)=[N+]21.[I-].[I-]"}, {"compound_id": "LB-2DB778635B0D", "smiles": "CC[N+](C)(CC)CCCO[B-]1(OCCC[N+](C)(CC)CC)n2c(C)c(I)c(C)c2C=C2C(C)=C(I)C(C)=[N+]21.[I-].[I-]"}, {"compound_id": "LB-C4338B1ADF94", "smiles": "CC1=C(I)C(C)=[N+]2C1=Cc1c(C)c(I)c(C)n1[B-]2(Oc1cc[n+](C)cc1)Oc1cc[n+](C)cc1.[I-].[I-]"}, {"compound_id": "LB-0749A0C56172", "smiles": "CC1=C(I)C(C)=[N+]2C1=Cc1c(C)c(I)c(C)n1[B-]2(OCc1cc[n+](C)cc1)OCc1cc[n+](C)cc1.[I-].[I-]"}, {"compound_id": "LB-5F186B19DAC5", "smiles": "CC1=C(I)C(C)=[N+]2C1=Cc1c(C)c(I)c(C)n1[B-]2(OCCc1cc[n+](C)cc1)OCCc1cc[n+](C)cc1.[I-].[I-]"}, {"compound_id": "LB-F0DE87ECB0A0", "smiles": "CC1=C(I)C(C)=[N+]2C1=Cc1c(C)c(I)c(C)n1[B-]2(OCCCc1cc[n+](C)cc1)OCCCc1cc[n+](C)cc1.[I-].[I-]"}, {"compound_id": "LB-7D38673A4366", "smiles": "CC1=C(I)C(C)=[N+]2C1=Cc1c(C)c(I)c(C)n1[B-]2(OCCCCc1cc[n+](C)cc1)OCCCCc1cc[n+](C)cc1.[I-].[I-]"}, {"compound_id": "LB-6BC2A2DAEE4A", "smiles": "CC1=C(I)C(C)=[N+]2C1=Cc1c(C)c(I)c(C)n1[B-]2(C#Cc1cc[n+](C)cc1)C#Cc1cc[n+](C)cc1.[I-].[I-]"}, {"compound_id": "LB-DE10A0718E99", "smiles": "CC1=C(I)C(C)=[N+]2C1=Cc1c(C)c(I)c(C)n1[B-]2(C#Cc1ccc[n+](C)c1)C#Cc1ccc[n+](C)c1.[I-].[I-]"}, {"compound_id": "LB-2DD7B154D180", "smiles": "CC1=C(I)C(C)=[N+]2C1=Cc1c(C)c(I)c(C)n1[B-]2(C#CC[N+](C)(C)C)C#CC[N+](C)(C)C.[I-].[I-]"}, {"compound_id": "LB-9A218AA5774B", "smiles": "CC1=CC(C)=[N+]2C1=Cc1c(C)cc(C)n1[B-]2(OCCC[N+](C)(C)C)OCCC[N+](C)(C)C.[I-].[I-]"}, {"compound_id": "LB-695E9738343E", "smiles": "CC1=CC(C)=[N+]2C1=Cc1c(C)cc(C)n1[B-]2(C#CC[N+](C)(C)C)C#CC[N+](C)(C)C.[I-].[I-]"}, {"compound_id": "LB-FB971D89ECEE", "smiles": "O=C(CCCc1cccs1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1"}, {"compound_id": "LB-AD4EB65F21F1", "smiles": "COCCOCCOCCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O"}, {"compound_id": "LB-AC085957E62B", "smiles": "CCOC(=O)C1CCC(CNC2=C3C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC2=O)C3=O)CC1"}, {"compound_id": "LB-A2934CFCD510", "smiles": "CCOC(=O)N1CCC(NC2=C3C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC2=O)C3=O)CC1"}, {"compound_id": "LB-9CA2D9BF7650", "smiles": "CO[C@H]1/C=C\\C=C(/C)C(=O)NC2=CC(=O)C(NC3CCN(C(=O)OC(C)(C)C)CC3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@@H]1OC(N)=O)C2=O"}, {"compound_id": "LB-4765D101A257", "smiles": "Cc1nc(CN2CCC[C@H]2c2ncccc2C)cc(N2CCN(C)CC2)n1"}, {"compound_id": "LB-8FE2DCD8A9C0", "smiles": "COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CNCCNC(C)=O"}, {"compound_id": "LB-035B3C280FC4", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc1)CC2"}, {"compound_id": "LB-C3FD5ED91860", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(=O)c4c(O)cccc4o3)cc1)CC2"}, {"compound_id": "LB-F904E12B1336", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(=O)c4c(OC)cccc4o3)cc1)CC2"}, {"compound_id": "LB-B6E2B2EEDBDB", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(=O)c4ccc(C)cc4o3)cc1)CC2"}, {"compound_id": "LB-42DA35D03388", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5O)n4)c3)cc1)CC2"}, {"compound_id": "LB-D3BB959458DA", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccs5)n4)c3)cc1)CC2"}, {"compound_id": "LB-0C0C5792BC70", "smiles": "COc1ccc(-c2ccnc(Nc3cc(C(=O)Nc4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)ccc3C)n2)cc1"}, {"compound_id": "LB-DF68C899024E", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc1)CC2"}, {"compound_id": "LB-5491AA1729A6", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccco5)n4)c3)cc1)CC2"}, {"compound_id": "LB-DBC0E5AAA35B", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccc(O)c5)n4)c3)cc1)CC2"}, {"compound_id": "LB-82CAF08C33EB", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc1)CC2"}, {"compound_id": "LB-629985DD9A2D", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccn5)n4)c3)cc1)CC2"}, {"compound_id": "LB-1E2B3EDC45C4", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc1)CC2"}, {"compound_id": "LB-48C8575CD9AE", "smiles": "COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4ccccc4O)n3)c1)CC2"}, {"compound_id": "LB-42AEC67F75D0", "smiles": "COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4cccs4)n3)c1)CC2"}, {"compound_id": "LB-D9725C51530D", "smiles": "COc1ccc(-c2ccnc(Nc3cc(C(=O)NCCN4CCc5cc(OC)c(OC)cc5C4)ccc3C)n2)cc1"}, {"compound_id": "LB-162F6FD855E7", "smiles": "COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4cccnc4)n3)c1)CC2"}, {"compound_id": "LB-D0D8466F7E50", "smiles": "COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4ccco4)n3)c1)CC2"}, {"compound_id": "LB-795061D81D46", "smiles": "COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4ccc(F)cc4)n3)c1)CC2"}, {"compound_id": "LB-5267079925CD", "smiles": "COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4ccccn4)n3)c1)CC2"}, {"compound_id": "LB-795CE542F8E4", "smiles": "COc1cc2c(cc1OC)CN(CCNC(=O)c1ccc(C)c(Nc3nccc(-c4ccccc4)n3)c1)CC2"}, {"compound_id": "LB-CA4D1D566EF4", "smiles": "COc1cccc(NC(=O)c2cccc(S(N)(=O)=O)c2)c1"}, {"compound_id": "LB-1FC41964B983", "smiles": "COc1cc(NC(=O)c2cccc(S(N)(=O)=O)c2)cc(OC)c1OC"}, {"compound_id": "LB-EC5FEA3C4FCD", "smiles": "COc1cc(NC(=O)c2cccc(S(N)(=O)=O)c2)c(C(=O)O)cc1OC"}, {"compound_id": "LB-77D7FF7B0881", "smiles": "CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc(S(N)(=O)=O)c2)cc1"}, {"compound_id": "LB-CDEE1ED69CA4", "smiles": "CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1"}, {"compound_id": "LB-5C0B9A9AF019", "smiles": "NS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1"}, {"compound_id": "LB-67BB2A783991", "smiles": "NS(=O)(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Cl"}, {"compound_id": "LB-62C0EF22DE7F", "smiles": "COc1ccccc1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1"}, {"compound_id": "LB-CF5BEE8D3330", "smiles": "COc1cccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1"}, {"compound_id": "LB-CA3249BF75CC", "smiles": "NS(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2Cl)ccc1Cl"}, {"compound_id": "LB-A8DEDD61C4EA", "smiles": "NS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl"}, {"compound_id": "LB-D2D6A6FDBDE5", "smiles": "CCCCCCCCCCCC(=O)NCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-242965C5B1E0", "smiles": "CCCCCCCCCCCCCC(=O)NCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-3B31F8DB45F5", "smiles": "CCCCCCCCCCCCCCCC(=O)NCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-741B1CB40EFB", "smiles": "CCCCCCCCCCCCCCCCCC(=O)NCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-7D2E7B9FF347", "smiles": "CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-1535CC339ED4", "smiles": "CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-C66981506448", "smiles": "CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-E78CD217A57B", "smiles": "CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-4E60F954CF66", "smiles": "CCCCCCCCCCCC(=O)NCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(CCC)O2.[Cl-]"}, {"compound_id": "LB-75950E791651", "smiles": "CCCCCCCCCCCCCC(=O)NCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(CCC)O2.[Cl-]"}, {"compound_id": "LB-E0452C301361", "smiles": "CCCCCCCCCCCCCCCC(=O)NCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(CCC)O2.[Cl-]"}, {"compound_id": "LB-822465240C2D", "smiles": "CCCCCCCCCCCCCCCCCC(=O)NCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(CCC)O2.[Cl-]"}, {"compound_id": "LB-E3656FD3C0F3", "smiles": "CCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(CCC)O2.[Cl-]"}, {"compound_id": "LB-A971EF8D6D28", "smiles": "CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(CCC)O2.[Cl-]"}, {"compound_id": "LB-A5D448952D05", "smiles": "CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(CCC)O2.[Cl-]"}, {"compound_id": "LB-6313754CF62E", "smiles": "CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(CCC)O2.[Cl-]"}, {"compound_id": "LB-2A239DD19FCD", "smiles": "CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(CCCCC)O2.[Cl-]"}, {"compound_id": "LB-18CF5906DF65", "smiles": "CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(CCCCCCCC)O2.[Cl-]"}, {"compound_id": "LB-201DBC646B75", "smiles": "CCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-3DA650677B32", "smiles": "CCCCCC(=O)NCCC[N+](C)(C)Cc1cnc(C)c2c1COC(CCC)O2.[Cl-]"}, {"compound_id": "LB-89990F12F50E", "smiles": "CCCCCCCCCC(C)C1OCc2c(C[N+](C)(C)CCCNC(=O)CCCCC)cnc(C)c2O1.[Cl-]"}, {"compound_id": "LB-F8ADE9CC8B09", "smiles": "CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-E3543BF51B33", "smiles": "CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1.[Cl-]"}, {"compound_id": "LB-AC3380889377", "smiles": "CCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-A0BE04FFA17D", "smiles": "CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-C90ABDEA66AC", "smiles": "CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-E31B5C88A670", "smiles": "CCCCCCCCCCCC(=O)OCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-E968EFD4C735", "smiles": "CCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-48C48B21646A", "smiles": "CCCCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)Cc1cnc(C)c2c1COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-E7D59F466C20", "smiles": "CCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1cnc(C)c2c1COC(CCC)O2.[Cl-]"}, {"compound_id": "LB-83F7800FF861", "smiles": "CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1cnc(C)c2c1COC(CCC)O2.[Cl-]"}, {"compound_id": "LB-EC383A47423C", "smiles": "CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1cnc(C)c2c1COC(CCC)O2.[Cl-]"}, {"compound_id": "LB-5E71B8B618BC", "smiles": "CCCCCCCCCCCC(=O)OCCC[N+](C)(C)Cc1cnc(C)c2c1COC(CCC)O2.[Cl-]"}, {"compound_id": "LB-6348096AAFF4", "smiles": "CCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)Cc1cnc(C)c2c1COC(CCC)O2.[Cl-]"}, {"compound_id": "LB-4DFBEA254C95", "smiles": "CCCCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)Cc1cnc(C)c2c1COC(CCC)O2.[Cl-]"}, {"compound_id": "LB-601CFE623A42", "smiles": "CCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)Cc1cnc(C)c2c1COC(CCCCC)O2.[Cl-]"}, {"compound_id": "LB-29D3C994C868", "smiles": "CCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)Cc1cnc(C)c2c1COC(CCCCCCCC)O2.[Cl-]"}, {"compound_id": "LB-7D9239932F3D", "smiles": "CCCCCCCCCCCCCC(=O)NCC[N+](C)(C)Cc1nc(C)c2c(c1CO)COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-08A66579509A", "smiles": "CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1nc(C)c2c(c1CO)COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-BF0E6A916897", "smiles": "CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1nc(C)c2c(c1CO)COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-9EEBF07C7FBE", "smiles": "CCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)Cc1nc(C)c2c(c1CO)COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-C56B75AF3C53", "smiles": "CCCCCCCCCCCCCC(=O)NCC[N+](C)(C)Cc1nc(C)c2c(c1CO)COC(CCC)O2.[Cl-]"}, {"compound_id": "LB-51285D3E27CD", "smiles": "CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)Cc1nc(C)c2c(c1CO)COC(CCC)O2.[Cl-]"}, {"compound_id": "LB-557EF53FC07E", "smiles": "CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1nc(C)c2c(c1CO)COC(CCC)O2.[Cl-]"}, {"compound_id": "LB-E5FFAADEDE3A", "smiles": "CCCCCCCCCCCCCC(=O)OCCC[N+](C)(C)Cc1nc(C)c2c(c1CO)COC(CCC)O2.[Cl-]"}, {"compound_id": "LB-D21447A06E8D", "smiles": "CCCCCCCC[N+](C)(C)Cc1nc(C)c2c(c1CO)COC(C)(C)O2.[Cl-]"}, {"compound_id": "LB-FCB011ECA509", "smiles": "Cc1ccc(-n2c(=S)sc3c(=O)n(CC(O)(Cn4cncn4)c4ccc(F)cc4F)cnc32)cc1"}, {"compound_id": "LB-4957F0B1337A", "smiles": "O=c1c2sc(=S)n(-c3ccc(F)cc3)c2ncn1CC(O)(Cn1cncn1)c1ccc(F)cc1F"}, {"compound_id": "LB-47946550B916", "smiles": "COc1ccccc1-n1c(=S)sc2c(=O)n(CC(O)(Cn3cncn3)c3ccc(F)cc3F)cnc21"}, {"compound_id": "LB-C35BBC575387", "smiles": "Cc1ccc(-n2c(=S)sc3c(=O)n(CC(=O)NCC(O)(Cn4cncn4)c4ccc(F)cc4F)cnc32)cc1"}, {"compound_id": "LB-59A2918C8639", "smiles": "O=C(Cn1cnc2c(sc(=S)n2-c2ccc(F)cc2)c1=O)NCC(O)(Cn1cncn1)c1ccc(F)cc1F"}, {"compound_id": "LB-7FDA8A7E05CC", "smiles": "O=C(Cn1cnc2c(sc(=S)n2-c2ccc(Cl)cc2)c1=O)NCC(O)(Cn1cncn1)c1ccc(F)cc1F"}, {"compound_id": "LB-4F0D15C924F5", "smiles": "COc1ccccc1-n1c(=S)sc2c(=O)n(CC(=O)NCC(O)(Cn3cncn3)c3ccc(F)cc3F)cnc21"}, {"compound_id": "LB-899C34A66A49", "smiles": "Cc1ccccc1-n1c(=S)sc2c(=O)n(CC(O)CN3CCN(CC(O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cnc21"}, {"compound_id": "LB-6144D795889A", "smiles": "Cc1ccc(-n2c(=S)sc3c(=O)n(CCCN4CCN(CC(O)(Cn5cncn5)c5ccc(F)cc5F)CC4)cnc32)cc1"}, {"compound_id": "LB-AFE22D0C23A1", "smiles": "O=c1c2sc(=S)n(-c3ccc(F)cc3)c2ncn1CCCN1CCN(CC(O)(Cn2cncn2)c2ccc(F)cc2F)CC1"}, {"compound_id": "LB-A230DB382D8F", "smiles": "O=c1c2sc(=S)n(-c3ccc(Cl)cc3)c2ncn1CCCN1CCN(CC(O)(Cn2cncn2)c2ccc(F)cc2F)CC1"}, {"compound_id": "LB-14B09148EAFA", "smiles": "Cc1ccc(-n2c(=S)sc3c(=O)n(CCN4CCN(CC(O)(Cn5cncn5)c5ccc(F)cc5F)CC4)cnc32)cc1"}, {"compound_id": "LB-7C2F033853A3", "smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"}, {"compound_id": "LB-1BA34081D286", "smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"}, {"compound_id": "LB-9C1329448D79", "smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"}, {"compound_id": "LB-5C4BD2DF3E86", "smiles": "C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC=C7[C@@H]8CC(C)(C)CC[C@]8(C(=O)O)CC[C@@]7(C)[C@]6(C)CC[C@H]5C4(C)C)O[C@@H]3CO)[C@@H]2O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-F9B81748A8F2", "smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O"}, {"compound_id": "LB-84EC1B2AB675", "smiles": "C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"}, {"compound_id": "LB-B9EE99D5BED7", "smiles": "O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2nc3ccccc3[nH]2)CC1"}, {"compound_id": "LB-25B39EBE03B2", "smiles": "O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(nc3ccc(F)cc32)C1"}, {"compound_id": "LB-124F74CBF59F", "smiles": "CCC[C@H](c1nc2ccncc2c(=O)n1CC)N1CCN[C@H](C)C1"}, {"compound_id": "LB-96B188A3A0D5", "smiles": "Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(ccn4C)c3)CC2)cc1"}, {"compound_id": "LB-11C2942A768C", "smiles": "CN(/N=N/c1ccc(Br)cc1)C(=O)NCCSc1ccc(O)cc1"}, {"compound_id": "LB-F4D1A2F2672E", "smiles": "Cc1ccc(/N=N/N(C)C(=O)NCCSc2ccc(O)cc2)cc1"}, {"compound_id": "LB-607D5455D67D", "smiles": "CN(/N=N/c1ccc(C#N)cc1)C(=O)NCCSc1ccc(O)cc1"}, {"compound_id": "LB-8F2C261BABEF", "smiles": "CCOC(=O)c1ccc(/N=N/N(C)C(=O)NCCSc2ccc(O)cc2)cc1"}, {"compound_id": "LB-14C745BE9E24", "smiles": "CC(=O)c1ccc(/N=N/N(C)C(=O)NCCSc2ccc(O)cc2)cc1"}, {"compound_id": "LB-F1463CB71334", "smiles": "FC(F)(F)Oc1cccc(Nc2nc(Nc3ccccc3)ncc2Cl)c1"}, {"compound_id": "LB-08CBD53CE4A5", "smiles": "FC(F)(F)c1cccc(Nc2nc(Nc3ccccc3)ncc2Cl)c1"}, {"compound_id": "LB-C85CA0E02E10", "smiles": "FC(F)(F)c1cccc(Nc2nc(Nc3ccccn3)ncc2Cl)c1"}, {"compound_id": "LB-39BF9EAFFB79", "smiles": "FC(F)(F)c1cccc(Nc2nc(Nc3cccnc3)ncc2Cl)c1"}, {"compound_id": "LB-86944AED7F46", "smiles": "FC(F)(F)c1cccc(Nc2nc(Nc3cncnc3)ncc2Cl)c1"}, {"compound_id": "LB-3C0F51BBDF57", "smiles": "FC(F)(F)c1cccc(Nc2nc(Nc3cccnn3)ncc2Cl)c1"}, {"compound_id": "LB-C63CE833300A", "smiles": "CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)cc2)CC1"}, {"compound_id": "LB-3230AFF5C194", "smiles": "CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1"}, {"compound_id": "LB-D3F6DAE61F39", "smiles": "CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)cn2)CC1"}, {"compound_id": "LB-5CC912FF3B44", "smiles": "CN1CCN(c2ncc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)cn2)CC1"}, {"compound_id": "LB-F569198D2BCD", "smiles": "CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nn2)CC1"}, {"compound_id": "LB-75F05B5566E3", "smiles": "CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1"}, {"compound_id": "LB-4140E6753EA5", "smiles": "FC(F)(F)c1cccc(Nc2nc(Nc3ccc(N4CCNCC4)cn3)ncc2Cl)c1"}, {"compound_id": "LB-98D74861E4F7", "smiles": "NC1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1"}, {"compound_id": "LB-01A6BB10F5BC", "smiles": "CN(C)C1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc(C(F)(F)F)c4)n3)nc2)CC1"}, {"compound_id": "LB-72F140CC1CAA", "smiles": "FC(F)(F)c1cccc(Nc2nc(Nc3ccc(-c4ccsc4)cn3)ncc2Cl)c1"}, {"compound_id": "LB-4FDB80ADD572", "smiles": "NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12"}, {"compound_id": "LB-24609E0756C3", "smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O"}, {"compound_id": "LB-FEACEAEE64D6", "smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)CC"}, {"compound_id": "LB-B5B00422F092", "smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(=O)N(C)CC)cc(CCCCC)cc1OC(=O)N(C)CC"}, {"compound_id": "LB-13B740BB5A60", "smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)Cc1ccccc1"}, {"compound_id": "LB-3618F2CE4C0B", "smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)Cc1ccc(Cl)cc1"}, {"compound_id": "LB-617D64FB5EAE", "smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC(=O)N(C)Cc1ccc(Br)cc1"}, {"compound_id": "LB-7CBED64C52E7", "smiles": "CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C.Cl"}, {"compound_id": "LB-D5355C1E6ECE", "smiles": "O=C(/C(=C/c1ccccc1)C[N+](=O)[O-])c1ccccc1"}, {"compound_id": "LB-57DD472600B1", "smiles": "CS(=O)(=O)CCN(Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)C(=O)CCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1"}, {"compound_id": "LB-A031DE485CB4", "smiles": "CC(OC(=O)CCCC(=O)N(CCS(C)(=O)=O)Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)c1cc2c(o1)C(=O)c1ccccc1C2=O"}, {"compound_id": "LB-05CBAC72FD14", "smiles": "CCC(=O)N(CC1(N2CCN(CC(C)C)CC2)CCOCC1)c1cccc(C(F)(F)F)n1"}, {"compound_id": "LB-A34E371EB164", "smiles": "C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1[C@]12COC[C@H]1CSC(N)=N2"}, {"compound_id": "LB-2B8331FCAE70", "smiles": "C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@H]1[C@]12CN(c3ncccn3)C[C@H]1CSC(N)=N2"}, {"compound_id": "LB-D54D29115D86", "smiles": "C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1"}, {"compound_id": "LB-0143848CA2BC", "smiles": "NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1"}, {"compound_id": "LB-0A291353B835", "smiles": "Cl.Cl.NC1=N[C@@]2(c3cccs3)CN(c3ncccn3)C[C@H]2CS1"}, {"compound_id": "LB-AF1A48404595", "smiles": "Cl.NC1=N[C@@]2(c3cccs3)CN(c3ncc(F)cn3)C[C@H]2CS1"}, {"compound_id": "LB-2F319C2C595F", "smiles": "Cl.NC1=N[C@@]2(c3cnccn3)CN(c3ncc(F)cn3)C[C@H]2CS1"}, {"compound_id": "LB-3C82B029097C", "smiles": "Cl.N#Cc1ccc([C@]23CN(c4ncc(F)cn4)C[C@H]2CSC(N)=N3)s1"}, {"compound_id": "LB-8DFA0668D0BB", "smiles": "Cl.NC1=N[C@@]2(c3ccns3)CN(c3ncc(F)cn3)C[C@H]2CS1"}, {"compound_id": "LB-62BCCE754B9D", "smiles": "NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)CN(c3ncc(F)cn3)C[C@H]2CS1"}, {"compound_id": "LB-D9697D61B222", "smiles": "NC1=N[C@@]2(c3cc(NC(=O)c4ncc(F)cc4F)ccc3F)CN(c3ncc(F)cn3)C[C@H]2CS1"}, {"compound_id": "LB-85975E7CB976", "smiles": "COc1cnc(C(=O)Nc2ccc(F)c([C@]34CN(c5ncc(F)cn5)C[C@H]3CSC(N)=N4)c2)cn1"}, {"compound_id": "LB-001465AE3C8C", "smiles": "N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"}, {"compound_id": "LB-A74E30969B65", "smiles": "CC1=C(I)C(C)=[N+]2C1=C(c1cc[n+](C)cc1)c1c(C)c(I)c(C)n1[B-]2(F)F.[I-]"}, {"compound_id": "LB-0A58740C28AA", "smiles": "CC1=C(I)C(C)=[N+]2C1=C(c1cccc[n+]1C)c1c(C)c(I)c(C)n1[B-]2(F)F.[I-]"}, {"compound_id": "LB-8B0F2C4F7F5F", "smiles": "CC1=C(I)C(C)=[N+]2C1=C(c1ccc[n+](C)c1)c1c(C)c(I)c(C)n1[B-]2(F)F.[I-]"}, {"compound_id": "LB-5B3096C62B19", "smiles": "CCCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)O)C3C"}, {"compound_id": "LB-B3E427312E4F", "smiles": "CCCCOC(CCC)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)O)C3C"}, {"compound_id": "LB-D8D8C5645469", "smiles": "CCCCCCOC(CCC)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)O)C3C"}, {"compound_id": "LB-6CD00A13ACEC", "smiles": "[Se]=C=NCCC12CC3CC(CC(C3)C1)C2"}, {"compound_id": "LB-C914B4627590", "smiles": "S=C=NC12CC3CC(CC(C3)C1)C2"}, {"compound_id": "LB-34D85E29C62F", "smiles": "S=C=NC1C2CC3CC(C2)CC1C3"}, {"compound_id": "LB-BF0E29C5B086", "smiles": "S=C=NCC12CC3CC(CC(C3)C1)C2"}, {"compound_id": "LB-E28F56A8D67C", "smiles": "CC(N=C=S)C12CC3CC(CC(C3)C1)C2"}, {"compound_id": "LB-B7C9454D0676", "smiles": "S=C=NCCC12CC3CC(CC(C3)C1)C2"}, {"compound_id": "LB-A531B2EA0E86", "smiles": "S=C=NCCCC12CC3CC(CC(C3)C1)C2"}, {"compound_id": "LB-86D21DA4436F", "smiles": "S=C=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1"}, {"compound_id": "LB-26C59AE80B8C", "smiles": "S=C=NCCOC12CC3CC(CC(C3)C1)C2"}, {"compound_id": "LB-233335931EA7", "smiles": "CC(C)(COC12CC3CC(CC(C3)C1)C2)N=C=S"}, {"compound_id": "LB-78F49C938682", "smiles": "CCCC(CN=C=S)C1C2CC3CC(C2)CC1C3"}, {"compound_id": "LB-A881C3B23478", "smiles": "CC12CC3CC(C)(C1)CC(N=C=S)(C3)C2"}, {"compound_id": "LB-DD3D900FBD74", "smiles": "O=C(CC12CC3CC(CC(C3)C1)C2)N=C=S"}, {"compound_id": "LB-26DD46179185", "smiles": "O=C1CNC(=S)N1CCC12CC3CC(CC(C3)C1)C2"}, {"compound_id": "LB-52B22597A938", "smiles": "OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-72DB637ED5C8", "smiles": "COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1"}, {"compound_id": "LB-6A3C66F6AFC6", "smiles": "COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OCCCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1"}, {"compound_id": "LB-F6488798B049", "smiles": "COc1ccc(-c2oc3cc(OC)cc(OC)c3c(=O)c2OCCCCCCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1"}, {"compound_id": "LB-DE13C8A05FC6", "smiles": "COc1ccc(Cc2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1"}, {"compound_id": "LB-9E03EF77B9C1", "smiles": "COc1ccc(Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1"}, {"compound_id": "LB-2D6AB6822602", "smiles": "OC[C@H]1O[C@@H](Oc2ccc(Cc3ccc(O)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-2E4FEC9B213E", "smiles": "OC[C@H]1O[C@@H](Oc2ccc(Cc3ccc(O)c(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-F6C9E9F06DD1", "smiles": "COc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)c5c(n4[B-]3(F)F)-c3ccc(OCC(=O)O)cc3CC5)C(c3ccccc3)=C2I)cc1"}, {"compound_id": "LB-158E39DD0C51", "smiles": "COc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)c5c(n4[B-]3(F)F)-c3ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc3CC5)C(c3ccccc3)=C2I)cc1"}, {"compound_id": "LB-A2843BB8B0B3", "smiles": "COc1ccc(C2=[N+]3C(=Nc4c(-c5ccccc5)c5c(n4[B-]3(F)F)-c3ccc(OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3CC5)C(c3ccccc3)=C2I)cc1"}, {"compound_id": "LB-3B7431A78C2A", "smiles": "COc1ccc2c(c1)CCc1c(-c3ccccc3)c3n(c1-2)[B-](F)(F)[N+]1=C(c2ccc(OCC(=O)O)cc2)C(I)=C(c2ccccc2)C1=N3"}, {"compound_id": "LB-6527C3314F61", "smiles": "COc1ccc2c(c1)CCc1c(-c3ccccc3)c3n(c1-2)[B-](F)(F)[N+]1=C(c2ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)C(I)=C(c2ccccc2)C1=N3"}, {"compound_id": "LB-EA275B45F679", "smiles": "COc1ccc2c(c1)CCc1c(-c3ccccc3)c3n(c1-2)[B-](F)(F)[N+]1=C(c2ccc(OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)C(I)=C(c2ccccc2)C1=N3"}, {"compound_id": "LB-425F5982660F", "smiles": "O=c1ccc2ncc(=O)n3c2n1C[C@H]3CN1CCC(NCc2cc3c(cn2)OCCC3)CC1"}, {"compound_id": "LB-0B712B3E30CE", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(Cl)cc4)CC3)c2n1"}, {"compound_id": "LB-ECBCDB3B37CD", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4ccccc4F)CC3)c2n1"}, {"compound_id": "LB-D393E55A9B40", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(F)cc4)CC3)c2n1"}, {"compound_id": "LB-6AE0F96B0637", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4cccc(F)c4)CC3)c2n1"}, {"compound_id": "LB-0FA8FD2DD3CE", "smiles": "COc1ccc(CCN2CCC(C(=O)Nc3ccnc4ccc(OC)nc34)CC2)cc1"}, {"compound_id": "LB-9B255C476AF7", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(OC(F)(F)F)cc4)CC3)c2n1"}, {"compound_id": "LB-D8DFCE4848FF", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2n1"}, {"compound_id": "LB-2D3E584AB4CD", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4cccc(C(F)(F)F)c4)CC3)c2n1"}, {"compound_id": "LB-C624DB7B4C2F", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4c(F)cccc4F)CC3)c2n1"}, {"compound_id": "LB-65D3E2D0345C", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(F)c(F)c4)CC3)c2n1"}, {"compound_id": "LB-A9D683406EA7", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4cc(F)cc(F)c4)CC3)c2n1"}, {"compound_id": "LB-D31590FDDBB0", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4cccc(F)c4F)CC3)c2n1"}, {"compound_id": "LB-9F91CF61DD84", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(F)cc4F)CC3)c2n1"}, {"compound_id": "LB-5F8E15F68218", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)c(F)c4)CC3)c2n1"}, {"compound_id": "LB-6164F8ADC34F", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2c1"}, {"compound_id": "LB-BFC453789946", "smiles": "COc1ccc2cccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2n1"}, {"compound_id": "LB-3E95F53CB106", "smiles": "O=C(Nc1cccc2ccc(Cl)nc12)C1CCN(CCc2ccc(C(F)(F)F)cc2)CC1"}, {"compound_id": "LB-F93EE37B0AD2", "smiles": "COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(Cl)cc4)CC3)c2c1"}, {"compound_id": "LB-BB99428CB7A1", "smiles": "COc1ccc2nccc(NC(=O)CC3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c2n1"}, {"compound_id": "LB-E0C3995A9450", "smiles": "COc1ccc2nccc(NC(=O)[C@H]3CC[C@H](NCc4ccc(C(F)(F)F)cc4)CC3)c2n1"}, {"compound_id": "LB-C86609D83CC2", "smiles": "COc1ccc2nccc(NS(=O)(=O)C3CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2n1"}, {"compound_id": "LB-EDE2725AF71C", "smiles": "COc1ccc2nccc(NC(=O)C3(C)CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2n1"}, {"compound_id": "LB-79FE4A728A9F", "smiles": "Cc1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1"}, {"compound_id": "LB-84FBE8BC8D55", "smiles": "Cc1c(C)c2ccc(OCC3CCCN(Cc4cccc(F)c4)C3)cc2oc1=O"}, {"compound_id": "LB-8D7C38D9D4A0", "smiles": "Cc1c(C)c2ccc(OCC3CCCN(CCCC(F)F)C3)cc2oc1=O"}, {"compound_id": "LB-B2C5167710CE", "smiles": "Cc1c(C)c2ccc(OCC3CCN(CCCC(F)F)CC3)cc2oc1=O"}, {"compound_id": "LB-F408AEDA43B1", "smiles": "CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1"}, {"compound_id": "LB-B27F3FDE3380", "smiles": "Cc1c(C)c2ccc(OCC3CCCN(CCCO)C3)cc2oc1=O"}, {"compound_id": "LB-B046F80D69D6", "smiles": "Cc1c(C)c2ccc(OCC3CCCN(Cc4ccccc4)C3)cc2oc1=O"}, {"compound_id": "LB-4D53D875C4FE", "smiles": "Cc1c(C)c2ccc(OCC3CCN(CCCO)CC3)cc2oc1=O"}, {"compound_id": "LB-BC60380F000D", "smiles": "Cc1c(C)c2ccc(OCC3CCN(Cc4ccccc4)CC3)cc2oc1=O"}, {"compound_id": "LB-4444A0DC1028", "smiles": "CC1(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CCN(CC#N)CC1"}, {"compound_id": "LB-807927EAA0C3", "smiles": "CC1(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CCC(CC#N)CC1"}, {"compound_id": "LB-59A849A3F0B4", "smiles": "N#CCc1ccc(-n2cnc3cnc4cc(F)c(-c5ccc(Oc6ccccn6)cc5Cl)cc4c32)cc1"}, {"compound_id": "LB-31E939597A78", "smiles": "N#CCN1CCC(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ccccn6)cc5Cl)cc4c32)CC1"}, {"compound_id": "LB-9B493510C472", "smiles": "OCCN1CCC(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ccccn6)cc5Cl)cc4c32)CC1"}, {"compound_id": "LB-32133398052E", "smiles": "Fc1cc2ncc3ncn(C4CCNCC4)c3c2cc1-c1ccc(Oc2ccccn2)cc1Cl"}, {"compound_id": "LB-99793AC1DF35", "smiles": "Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ccccn5)cc4Cl)cc3c2n1C1CCN(CC#N)CC1"}, {"compound_id": "LB-E34FC49AABA8", "smiles": "N#CCN1CCC(n2c(CO)nc3cnc4cc(F)c(-c5ccc(Oc6ccccn6)cc5Cl)cc4c32)CC1"}, {"compound_id": "LB-A5C4DFF771DC", "smiles": "CC(O)c1nc2cnc3cc(F)c(-c4ccc(Oc5ccccn5)cc4Cl)cc3c2n1C1CCN(CC#N)CC1"}, {"compound_id": "LB-A097EFEF223F", "smiles": "COc1cc(Oc2ccccn2)ccc1-c1cc2c(cc1F)ncc1ncn(C3CCN(CC#N)CC3)c12"}, {"compound_id": "LB-0F4D7322F0EC", "smiles": "COc1cc(Oc2ccccn2)ccc1-c1cc2c(cc1F)ncc1nc(C)n(C3CCN(CC#N)CC3)c12"}, {"compound_id": "LB-DCFEAA84C106", "smiles": "COc1cc(Oc2ccccn2)ccc1-c1cc2c(cc1F)ncc1nc(CO)n(C3CCN(CC#N)CC3)c12"}, {"compound_id": "LB-FA7B4C338B02", "smiles": "COc1cc(Oc2ccccn2)ccc1-c1cc2c(cc1F)ncc1nc(C(C)O)n(C3CCN(CC#N)CC3)c12"}, {"compound_id": "LB-58B11DFB2BC0", "smiles": "N#CCN1CCC(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CC1"}, {"compound_id": "LB-2AEA6EE66BA0", "smiles": "Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(CC#N)CC1"}, {"compound_id": "LB-50689D1C654C", "smiles": "N#CCN1CCC(n2c(CO)nc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CC1"}, {"compound_id": "LB-A755879E7A17", "smiles": "CC(O)c1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(CC#N)CC1"}, {"compound_id": "LB-0EF101AD118D", "smiles": "COc1cc(Oc2ncccn2)ccc1-c1cc2c(cc1F)ncc1nc(C)n(C3CCN(CC#N)CC3)c12"}, {"compound_id": "LB-50C906AB71F8", "smiles": "COc1cc(Oc2ncccn2)ccc1-c1cc2c(cc1F)ncc1nc(C(C)O)n(C3CCN(CC#N)CC3)c12"}, {"compound_id": "LB-101872C76217", "smiles": "N#CCN1CCN(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CC1"}, {"compound_id": "LB-9971982F42E6", "smiles": "Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CC[C@@](N)(CC#N)CC1"}, {"compound_id": "LB-978232E3739B", "smiles": "N#CC[C@]1(N)CC[C@@H](n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CC1"}, {"compound_id": "LB-93E6EE3BBE9B", "smiles": "Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(C(=O)CO)CC1"}, {"compound_id": "LB-CA7ADB7A79C3", "smiles": "Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CCN(C(=O)CO)C[C@@H]1F"}, {"compound_id": "LB-5921045FD799", "smiles": "O=C(CO)N1CC[C@H](n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)[C@@H](F)C1"}, {"compound_id": "LB-83C6316B5C55", "smiles": "COCC(=O)N1CC[C@H](n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)[C@@H](F)C1"}, {"compound_id": "LB-51AD6C44519A", "smiles": "Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n([C@H]5CCN(C(=O)CO)C[C@@H]5F)c34)c(Cl)c2)n1"}, {"compound_id": "LB-7835844B18EB", "smiles": "Cc1cc(Oc2ncccn2)ccc1-c1cc2c(cc1F)ncc1nc(C)n([C@H]3CCN(C(=O)CO)C[C@@H]3F)c12"}, {"compound_id": "LB-C8932B53B70D", "smiles": "CC(C)C[C@@H](/C=C/CC(=O)NC1CC(C)(C)NC(C)(C)C1)NC(=O)OC(C)(C)C"}, {"compound_id": "LB-D189826E674D", "smiles": "CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1"}, {"compound_id": "LB-5E2CF6BD9A69", "smiles": "CC1(C)CC(NC(=O)C(C)(C)/C=C/[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC(C)(C)N1"}, {"compound_id": "LB-0667FD1B2C28", "smiles": "CC1(C)CC(NC(=O)C/C=C/[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC(C)(C)N1"}, {"compound_id": "LB-B7D1F0D5D8BD", "smiles": "CC(C)C[C@@H](/C=C/C(Cc1ccccc1)(Cc1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1)NC(=O)OC(C)(C)C"}, {"compound_id": "LB-CD28CD850A16", "smiles": "CC(C)C[C@@H](/C=C/C1(C(=O)NC2CC(C)(C)NC(C)(C)C2)CC1)NC(=O)OC(C)(C)C"}, {"compound_id": "LB-0F2D89B00764", "smiles": "CC(C)C[C@@H](/C=C/C1(C(=O)NC2CC(C)(C)NC(C)(C)C2)CCCC1)NC(=O)OC(C)(C)C"}, {"compound_id": "LB-0852D2EFAAD1", "smiles": "CC(C)C[C@@H](/C=C/C1(C(=O)NC2CC(C)(C)NC(C)(C)C2)CCOCC1)NC(=O)OC(C)(C)C"}, {"compound_id": "LB-81B82833C43C", "smiles": "CC1(C)CC(NC(=O)C(/C=C/[C@@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2)(Cc2ccc(F)cc2)Cc2ccc(F)cc2)CC(C)(C)N1"}, {"compound_id": "LB-36465D95D88C", "smiles": "CC1(C)CC(NC(=O)C(/C=C/[C@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2)(Cc2ccc(F)cc2)Cc2ccc(F)cc2)CC(C)(C)N1"}, {"compound_id": "LB-9C26ADEF147B", "smiles": "CC1(C)CC(NC(=O)C(/C=C/[C@@H](NC(=O)OC(C)(C)C)c2ccc(F)cc2)(Cc2ccc(F)cn2)Cc2ccc(F)cn2)CC(C)(C)N1"}, {"compound_id": "LB-B3F51408C4F7", "smiles": "CC1(C)CC(NC(=O)C(/C=C/[C@@H](NC(=O)OC(C)(C)C)c2ccoc2)(Cc2ccc(F)cc2)Cc2ccc(F)cc2)CC(C)(C)N1"}, {"compound_id": "LB-F0E92C33E4CD", "smiles": "CC1(C)CC(NC(=O)C(/C=C/[C@H](NC(=O)OC(C)(C)C)c2ccoc2)(Cc2ccc(F)cc2)Cc2ccc(F)cc2)CC(C)(C)N1"}, {"compound_id": "LB-833F11C9DDFE", "smiles": "CC(C)C[C@@H](/C=C/C(C)(C)C(=O)NC1CC(C)(C)NC(C)(C)C1)NC(=O)OC(C)(C)C"}, {"compound_id": "LB-7586116C904D", "smiles": "CC(C)C[C@H](/C=C/C(C)(C)C(=O)NC1CC(C)(C)NC(C)(C)C1)NC(=O)OC(C)(C)C"}, {"compound_id": "LB-92D222E002DB", "smiles": "CC(C)C[C@@H](/C=C/C(Cc1ccc(F)cc1)(Cc1ccc(F)cc1)C(=O)NC1CC(C)(C)NC(C)(C)C1)NC(=O)OC(C)(C)C"}, {"compound_id": "LB-25E79407CE34", "smiles": "CC(C)C[C@H](/C=C/C(Cc1ccc(F)cc1)(Cc1ccc(F)cc1)C(=O)NC1CC(C)(C)NC(C)(C)C1)NC(=O)OC(C)(C)C"}, {"compound_id": "LB-535BF67D911D", "smiles": "C[C@@]1(c2nc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1"}, {"compound_id": "LB-4873F4E4405C", "smiles": "CCSc1ccc2c(c1)C1=Nc3c4ccc(SCC)cc4c4n3[B-]3(Oc5ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)cc5)n5c(c6cc(SCC)ccc6c5=N4)=NC2=[N+]13"}, {"compound_id": "LB-58132F8E8AE9", "smiles": "CCSc1ccc2c(c1)C1=Nc3c4ccc(SCC)cc4c4n3[B@-]3(Oc5ccc(C[C@H](N)C(=O)OC)cc5)n5c(c6cc(SCC)ccc6c5=N4)=NC2=[N+]13"}, {"compound_id": "LB-401565C6FCBD", "smiles": "CCSc1ccc2c(c1)C1=Nc3c4ccc(SCC)cc4c4n3[B-]3(OCc5ccc6c(c5)OCCOCCOCCOCCOCCO6)n5c(c6cc(SCC)ccc6c5=N4)=NC2=[N+]13"}, {"compound_id": "LB-BCC08EF79ABD", "smiles": "COC(=O)[C@H](Cc1ccc(O[B@@-]23n4c5c6ccc(I)cc6c4N=c4c6ccc(I)cc6c(n42)=NC2=[N+]3C(=N5)c3ccc(I)cc32)cc1)NC(=O)OC(C)(C)C"}, {"compound_id": "LB-7E2CDD687CF7", "smiles": "COC(=O)[C@@H](N)Cc1ccc(O[B-]23n4c5c6ccc(I)cc6c4N=c4c6ccccc6c(n42)=NC2=[N+]3C(=N5)c3ccc(I)cc32)cc1"}, {"compound_id": "LB-D16A705F3467", "smiles": "COC(=O)c1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[I-].[I-].[I-]"}, {"compound_id": "LB-2F977C6B4150", "smiles": "C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5ccc(C(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[I-].[I-].[I-]"}, {"compound_id": "LB-4F19A695991E", "smiles": "COc1ccc(CN2C[C@@H]3[C@@H](C2)OCc2c(-c4ccccc4F)nnn23)cn1"}, {"compound_id": "LB-B68A10BCB412", "smiles": "Fc1ccc(-c2nnn3c2CO[C@H]2CN(C4CCOCC4)C[C@@H]23)nc1"}, {"compound_id": "LB-B7D5B8208315", "smiles": "OCc1ccc2c(c1)C=CB(c1ccc(O)c(C34CC5CC(CC(C5)C3)C4)c1)N2"}, {"compound_id": "LB-C6DD98DFD4B6", "smiles": "CN1C(=O)C2(Cc3ccccc3B(O)O2)c2ccccc21"}, {"compound_id": "LB-1F92D4531D58", "smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2OC(=O)CCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"}, {"compound_id": "LB-6DB0B833A4A5", "smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2OC(=O)CCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"}, {"compound_id": "LB-CAB935146537", "smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O"}, {"compound_id": "LB-08787F2C66F5", "smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2OC(=O)CCC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-641FF46DC343", "smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2OC(=O)CCC(=O)O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1CO"}, {"compound_id": "LB-7A9E3684CD2F", "smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2OC(=O)CCC(=O)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O"}, {"compound_id": "LB-8E1517DFE776", "smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2OC(=O)CCC(=O)O[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-5482D36A7EA6", "smiles": "COc1ccc(-c2c3c(nc4ccc(OC)cc24)CN(C(C)(C)C(=O)NC(C)(C)C)C3=O)cc1"}, {"compound_id": "LB-234C60E48BD9", "smiles": "O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc([125I])c2)CC1"}, {"compound_id": "LB-9F6D651D0364", "smiles": "O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc([125I])c2)CC1"}, {"compound_id": "LB-7842A30F6572", "smiles": "O=C(O)COc1ccc(-c2c3nc(c(-c4ccc(OCC(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(OCC(=O)O)cc4)c4nc(c(-c5ccc(O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1"}, {"compound_id": "LB-8BE6A0C7EF55", "smiles": "N=C(N)CCC[C@H](NC(=O)COc1ccc(-c2c3nc(c(-c4ccc(OCC(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(OCC(=O)O)cc4)c4nc(c(-c5ccc(OCC(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"}, {"compound_id": "LB-40E1B165C91E", "smiles": "Oc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1[125I]"}, {"compound_id": "LB-844D05F73441", "smiles": "O=C(N[C@@H](Cc1ccc(O)c([125I])c1)C(=O)O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1"}, {"compound_id": "LB-57DF93161346", "smiles": "O=C(NCc1ccccc1)c1cc2c(F)cc(F)cc2[nH]1"}, {"compound_id": "LB-F5A8E4566082", "smiles": "O=C(NCc1ccc(F)cc1)c1cc2c(F)cc(F)cc2[nH]1"}, {"compound_id": "LB-6B6DB426FBC6", "smiles": "O=C(NCCc1ccc2c(c1)OCO2)c1cc2c(F)cc(F)cc2[nH]1"}, {"compound_id": "LB-94A48F111FEB", "smiles": "O=C(Nc1nc2ccccc2[nH]1)c1cc2c(F)cc(F)cc2[nH]1"}, {"compound_id": "LB-165E8AC33C02", "smiles": "Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@@H](CN1CCOCC1)CO3"}, {"compound_id": "LB-54D729ADE49F", "smiles": "CS(=O)(=O)O.Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O.O"}, {"compound_id": "LB-6DB2146D036E", "smiles": "C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(Nc4ccc(C5CC5)nc4)c3Cl)CC2=O)CCO1"}, {"compound_id": "LB-4BED70B34D6E", "smiles": "C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(NC(=O)c4cccc(C#N)c4)c3Cl)CC2=O)CCO1"}, {"compound_id": "LB-2873CCF8BE56", "smiles": "O=C(NO)c1ccc(CNC(=O)N2CCC(N3C(=O)[C@H](c4ccccc4)[C@H]3c3ccccc3)CC2)cc1"}, {"compound_id": "LB-BCE064CADDB7", "smiles": "O=C(NO)c1ccc(CNC(=O)N2CCC(N3CC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1"}, {"compound_id": "LB-92883DC863A1", "smiles": "O=c1cc(-c2ccc(C(F)(F)F)cc2)oc2ccccc12"}, {"compound_id": "LB-8016F48A667B", "smiles": "O=C(CCCC[C@@H]1CCSS1)OCc1cc(=O)c(O)co1"}, {"compound_id": "LB-580A971A44B6", "smiles": "O=C(CCCC[C@@H]1CCSS1)OCCN1CCOCC1"}, {"compound_id": "LB-C51935651AAE", "smiles": "O=C(CCCC[C@@H]1CCSS1)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O"}, {"compound_id": "LB-C72328058CB7", "smiles": "O=C(CCCC[C@@H]1CCSS1)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-FB0FEE4948B4", "smiles": "COc1ccc(-c2cnc(NC(=O)c3ccc(F)cc3)n2C)cc1"}, {"compound_id": "LB-93F15887C306", "smiles": "COc1ccc(-c2cnc(NC(=O)c3cc(-c4ccccn4)n[nH]3)n2C)cc1"}, {"compound_id": "LB-C9BC6DD4F943", "smiles": "COc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1N1CCNCC1"}, {"compound_id": "LB-332366A2A1EA", "smiles": "COc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1N1CCNCC1"}, {"compound_id": "LB-039DEDD030E2", "smiles": "COc1ccc(S(=O)(=O)n2ccc3ccc(Br)cc32)cc1N1CCNCC1"}, {"compound_id": "LB-A4AE0F45EF78", "smiles": "COc1ccc(S(=O)(=O)n2cc(C)c3cc(F)ccc32)cc1N1CCNCC1"}, {"compound_id": "LB-087EEBBB1FDA", "smiles": "COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1N1CCNCC1"}, {"compound_id": "LB-201836F01351", "smiles": "COc1ccc(S(=O)(=O)n2cc(C)c3cc(Br)ccc32)cc1N1CCNCC1"}, {"compound_id": "LB-2060CF1AB4DA", "smiles": "COc1ccc(S(=O)(=O)n2cc(C)c3ccc(F)cc32)cc1N1CCNCC1"}, {"compound_id": "LB-27E985960F52", "smiles": "COc1ccc(S(=O)(=O)n2cc(C)c3ccc(Cl)cc32)cc1N1CCNCC1"}, {"compound_id": "LB-DBD06CC2AD6F", "smiles": "COc1ccc(S(=O)(=O)n2cc(C)c3ccc(Br)cc32)cc1N1CCNCC1"}, {"compound_id": "LB-94CDFFE010F9", "smiles": "COc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(F)ccc32)cc1N1CCNCC1"}, {"compound_id": "LB-B239BC06C7F5", "smiles": "COc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(Cl)ccc32)cc1N1CCNCC1"}, {"compound_id": "LB-1CB7949AD8DC", "smiles": "COc1ccc(S(=O)(=O)n2cc(C(F)F)c3cc(Br)ccc32)cc1N1CCNCC1"}, {"compound_id": "LB-5BDFA5DE8C24", "smiles": "COc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(F)cc32)cc1N1CCNCC1"}, {"compound_id": "LB-332B11D6EB87", "smiles": "COc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(Cl)cc32)cc1N1CCNCC1"}, {"compound_id": "LB-CD8039206319", "smiles": "COc1ccc(S(=O)(=O)n2cc(C(F)F)c3ccc(Br)cc32)cc1N1CCNCC1"}, {"compound_id": "LB-B4778FA1FB8A", "smiles": "OB(O)c1ccc(-c2nc3ccccc3s2)cc1"}, {"compound_id": "LB-2B3B93920C23", "smiles": "CC1CC(=O)Oc2c1ccc1c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C(C)(C)O1"}, {"compound_id": "LB-998B0E002D03", "smiles": "CC1c2ccc3c(c2OC(=O)C1CO)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3"}, {"compound_id": "LB-9527D8CD14A1", "smiles": "Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(Cl)ccc2c1=O"}, {"compound_id": "LB-8EB11A1F5DC5", "smiles": "Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccccc2c1=O"}, {"compound_id": "LB-0CF3500D461C", "smiles": "Fc1ccc(C2CCC(c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1"}, {"compound_id": "LB-6EA9074A8E40", "smiles": "CN(C)C(=O)c1ccc2cccccc1-2"}, {"compound_id": "LB-402A4B20E943", "smiles": "O=C(Cn1ccccc1=O)Nc1cc2cccccc-2c1"}, {"compound_id": "LB-3BB0D8CFBD98", "smiles": "CN(C)C(=O)Cc1ccc2cccc-2cc1"}, {"compound_id": "LB-A33FA66494E7", "smiles": "CN(C)C(=O)c1cccc2ccccc12"}, {"compound_id": "LB-B17DABA3A5A8", "smiles": "CN(C)C(=O)c1c[nH]c2ccccc12"}, {"compound_id": "LB-845FF2D505B8", "smiles": "CN(C)C(=O)c1cn(C)c2ccccc12"}, {"compound_id": "LB-CFC48EB649DE", "smiles": "O=C(NCCO)c1ccc2ccc(C(=O)c3ccccc3)c-2cc1"}, {"compound_id": "LB-AEEE43120225", "smiles": "CN1CCN(C(=O)c2ccc3ccc(C(=O)c4ccccc4)c-3cc2)CC1"}, {"compound_id": "LB-D37CC6C2B6E7", "smiles": "NC(=O)C1CCN(C(=O)c2ccc3cccccc2-3)CC1"}, {"compound_id": "LB-EC8A1DB9998C", "smiles": "NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1"}, {"compound_id": "LB-B6F76A8CFF89", "smiles": "NC(=O)C1CCN(C(=O)c2c[nH]c3ccccc23)CC1"}, {"compound_id": "LB-A8BB4BBE1E97", "smiles": "Cn1cc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc21"}, {"compound_id": "LB-1C2034B236E8", "smiles": "CN(C)C(=O)Cc1ccc2ccccc2c1"}, {"compound_id": "LB-8D3708671697", "smiles": "CN(C)C(=O)Cc1ccc2cc[nH]c2c1"}, {"compound_id": "LB-C7ADF2265531", "smiles": "CN(C)C(=O)Cc1ccc2ccn(C)c2c1"}, {"compound_id": "LB-826DE646D34C", "smiles": "O=C(Nc1cc2cccccc-2c1)c1cccnc1"}, {"compound_id": "LB-81F4A0FDDFEF", "smiles": "O=C(Nc1ccc2ccccc2c1)c1cccnc1"}, {"compound_id": "LB-190C89D97A5C", "smiles": "Cn1c(NC(=O)c2cccnc2)cc2ccccc21"}, {"compound_id": "LB-80E813229613", "smiles": "O=C(Cn1ccccc1=O)Nc1cc2ccccc2[nH]1"}, {"compound_id": "LB-C32BD8776D75", "smiles": "Cn1c(NC(=O)Cn2ccccc2=O)cc2ccccc21"}, {"compound_id": "LB-CB4A0B813864", "smiles": "COC(=O)c1ccc2c(C(=O)N(C)C)cn(C)c2c1"}, {"compound_id": "LB-0A1B7598405A", "smiles": "COC(=O)c1ccc2ccc(C(=O)Nc3ccccc3)c-2cc1"}, {"compound_id": "LB-231BFD64FF4C", "smiles": "COC(=O)c1ccc2c(C(=O)Nc3ccccc3)cn(C)c2c1"}, {"compound_id": "LB-1BFF04E3728A", "smiles": "O=C(NCc1cccnc1)c1ccc2ccc(C(=O)c3ccccc3)c-2cc1"}, {"compound_id": "LB-668626425900", "smiles": "O=C(NCc1cccnc1)c1ccc2[nH]cc(C(=O)c3ccccc3)c2c1"}, {"compound_id": "LB-C51896B7C66B", "smiles": "Cn1cc(C(=O)c2ccccc2)c2cc(C(=O)NCc3cccnc3)ccc21"}, {"compound_id": "LB-BC001E945FFA", "smiles": "O=C(NCCO)c1ccc2[nH]cc(C(=O)c3ccccc3)c2c1"}, {"compound_id": "LB-820C9C301CD1", "smiles": "Cn1cc(C(=O)c2ccccc2)c2cc(C(=O)NCCO)ccc21"}, {"compound_id": "LB-62AFB9AE0CEB", "smiles": "CN1CCN(C(=O)c2ccc3[nH]cc(C(=O)c4ccccc4)c3c2)CC1"}, {"compound_id": "LB-2E76F4DDB77A", "smiles": "CN1CCN(C(=O)c2ccc3c(c2)c(C(=O)c2ccccc2)cn3C)CC1"}, {"compound_id": "LB-C9746E999234", "smiles": "O=C(NCCc1cnc[nH]1)c1ccc2ccc(C(=O)c3ccccc3)c-2cc1"}, {"compound_id": "LB-A26A36553574", "smiles": "O=C(NCCc1cnc[nH]1)C1=CC2C(C(=O)c3ccccc3)=CN=C2C=C1"}, {"compound_id": "LB-FF3BA5BDB94F", "smiles": "Cn1cc(C(=O)c2ccccc2)c2cc(C(=O)NCCc3cnc[nH]3)ccc21"}, {"compound_id": "LB-F7E1CF7DC0C4", "smiles": "O=C(NCCc1c[nH]c2ccccc12)c1ccc2ccc(C(=O)c3ccccc3)c-2cc1"}, {"compound_id": "LB-14A57F5530A8", "smiles": "O=C(NCCc1c[nH]c2ccccc12)c1ccc2[nH]cc(C(=O)c3ccccc3)c2c1"}, {"compound_id": "LB-FC8E9F8747DA", "smiles": "Cn1cc(C(=O)c2ccccc2)c2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc21"}, {"compound_id": "LB-BFD0A7313968", "smiles": "COC(=O)c1ccc2ccc(C(=O)c3ccccc3)c-2cc1"}, {"compound_id": "LB-3AD3D731B1C5", "smiles": "COC(=O)c1ccc2[nH]cc(C(=O)c3ccccc3)c2c1"}, {"compound_id": "LB-DD7129B671A3", "smiles": "COC(=O)c1ccc2c(C(=O)c3ccccc3)c[nH]c2c1"}, {"compound_id": "LB-6F4BCBAEE14C", "smiles": "COC(=O)c1ccc2c(ccn2C(=O)c2ccccc2)c1"}, {"compound_id": "LB-289FD4425098", "smiles": "COC(=O)c1ccc2ccn(C(=O)c3ccccc3)c2c1"}, {"compound_id": "LB-9404ADE84FE5", "smiles": "COC(=O)c1ccc2c(C(=O)c3ccccc3)cc(C(=O)c3ccccc3)c-2cc1"}, {"compound_id": "LB-CE7C57FB539C", "smiles": "COC(=O)c1ccc2c(c1)c(C(=O)c1ccccc1)cn2C(=O)c1ccccc1"}, {"compound_id": "LB-D13817C0326E", "smiles": "COC(=O)c1ccc2c(C(=O)c3ccccc3)cn(C(=O)c3ccccc3)c2c1"}, {"compound_id": "LB-2209A1303016", "smiles": "COC(=O)c1ccc2ccc(C(=O)N(C)C)c-2cc1"}, {"compound_id": "LB-E1FE3FF23FDE", "smiles": "Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C"}, {"compound_id": "LB-0257CE9F40A6", "smiles": "Cc1cc2ncnn2cc1Nc1ncc2c(n1)N(C1CCOCC1)CC(=O)N2C"}, {"compound_id": "LB-B7EAD0F8F11C", "smiles": "Clc1ccccc1CN1CCc2sccc2C1"}, {"compound_id": "LB-FECB8A99D367", "smiles": "COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1"}, {"compound_id": "LB-47994D56FFD7", "smiles": "CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2"}, {"compound_id": "LB-BC6F9F3C0144", "smiles": "Cc1cc(Cn2nnc(Cc3ccccc3)n2)n[nH]1"}, {"compound_id": "LB-931D36095732", "smiles": "Cc1cc(Cn2nnnc2Cc2ccccc2)n[nH]1"}, {"compound_id": "LB-96E1F246767D", "smiles": "Cc1cc(Cn2nnc(-c3ccccn3)n2)n[nH]1"}, {"compound_id": "LB-982E1C87E3F1", "smiles": "Cc1cc(Cn2nnnc2-c2ccccn2)n[nH]1"}, {"compound_id": "LB-5D230ECD3393", "smiles": "CCn1nc(Cn2nnc(Cc3ccccc3)n2)cc1C"}, {"compound_id": "LB-4EE537BA0D14", "smiles": "CCn1nc(Cn2nnnc2Cc2ccccc2)cc1C"}, {"compound_id": "LB-8E6E87738490", "smiles": "CCn1nc(Cn2nnc(-c3ccccn3)n2)cc1C"}, {"compound_id": "LB-6597CB0C3A10", "smiles": "CCn1nc(Cn2nnnc2-c2ccccn2)cc1C"}, {"compound_id": "LB-98AD92C3D852", "smiles": "Cc1ccc(COc2ccc(/C=C3\\SC(O)=NC3=O)cc2)cc1"}, {"compound_id": "LB-280429692B7C", "smiles": "O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1"}, {"compound_id": "LB-B8F18879680A", "smiles": "N#Cc1ccccc1-c1ccc(COc2ccc(/C=C3\\SC(=O)NC3=O)cc2)cc1"}, {"compound_id": "LB-E5A9B8775380", "smiles": "CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)c(F)c1N"}, {"compound_id": "LB-4A5BB89C068C", "smiles": "C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)OCC)c(N)c1"}, {"compound_id": "LB-E84F1EF5F1A1", "smiles": "C=CC(=O)N(CC#N)CCCCCCCCCCCCCC"}, {"compound_id": "LB-8C171741CFE0", "smiles": "C=CC(=O)N(CC#N)CCOCCCCCCCCCCC"}, {"compound_id": "LB-9C41FF913BC1", "smiles": "CCCCCCCCCCCCCCNC(=O)/C=C\\C(=O)OCc1cn(CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)nn1"}, {"compound_id": "LB-55F41AF4921C", "smiles": "CCCCCCCCCCCCCCNC(=O)/C=C\\C(=O)OCc1cn(CCOCCOCCOCCO)nn1"}, {"compound_id": "LB-9BDF94CB3BE5", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(OCC)c1"}, {"compound_id": "LB-CB4824DABDCA", "smiles": "CCOc1cc(CC(=O)OCC(F)(F)F)ccc1OCC(=O)N1CCN(c2ccccc2)CC1"}, {"compound_id": "LB-25BD751C1E5D", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(OCC)c1"}, {"compound_id": "LB-18F57029F729", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(c2ccccc2)CC1"}, {"compound_id": "LB-074921AA49C9", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)c(OCC)c1"}, {"compound_id": "LB-B06441AAD892", "smiles": "CCOc1cc(CC(=O)OCC(F)(F)F)ccc1OCC(=O)N1CCN(c2cccc(C)c2C)CC1"}, {"compound_id": "LB-825B8746C71B", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)c(OCC)c1"}, {"compound_id": "LB-768137CF7BC4", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(c2cccc(C)c2C)CC1"}, {"compound_id": "LB-C4D16A62FB4E", "smiles": "COc1cc(CC(=O)OCC(F)(F)F)ccc1OCC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1"}, {"compound_id": "LB-5A57D05F9E05", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c(OCC)c1"}, {"compound_id": "LB-79B004B8D54C", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c(OCC)c1"}, {"compound_id": "LB-25A5B4B552B3", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1"}, {"compound_id": "LB-5423ACD6BDF2", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OCC)c1"}, {"compound_id": "LB-AA6FE7995846", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OCC)c1"}, {"compound_id": "LB-EC2BFE20DA9C", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1"}, {"compound_id": "LB-080E6EE9399E", "smiles": "CCOc1cc(CC(=O)OCC(F)(F)F)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1"}, {"compound_id": "LB-FEF0161E67D1", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(OC)c1"}, {"compound_id": "LB-E0D1DF35AD44", "smiles": "COc1cc(CC(=O)OCC(F)(F)F)ccc1OCC(=O)N1CCN(c2ccccc2)CC1"}, {"compound_id": "LB-8B522FA77FCB", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1"}, {"compound_id": "LB-B7EE07967CA4", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1"}, {"compound_id": "LB-41FD73ABB0AB", "smiles": "c1ccc(CCCC2CCCCC2)cc1"}, {"compound_id": "LB-7777D6D75C52", "smiles": "c1ccc(CCOC2CCCCC2)cc1"}, {"compound_id": "LB-3A5CF92AD9AB", "smiles": "c1ccc(CCON2CCCCC2)cc1"}, {"compound_id": "LB-B5314A3E391F", "smiles": "c1ccc(CCCN2CCCCC2)cc1"}, {"compound_id": "LB-4604D858990A", "smiles": "c1ccc(COCCCCC2CCCCC2)cc1"}, {"compound_id": "LB-7F1ED358ED08", "smiles": "c1ccc(COCCCOC2CCCCC2)cc1"}, {"compound_id": "LB-0C34EB11CDA5", "smiles": "c1ccc(COCCCON2CCCCC2)cc1"}, {"compound_id": "LB-DCDE2DDF7269", "smiles": "c1ccc(COCCCCN2CCCCC2)cc1"}, {"compound_id": "LB-83D11294A650", "smiles": "CCCCCCC1CCc2ccccc2C1"}, {"compound_id": "LB-8FED9B304AA8", "smiles": "CCCCCOC1CCc2ccccc2C1"}, {"compound_id": "LB-694E9B368AD4", "smiles": "CCCCCON1CCc2ccccc2C1"}, {"compound_id": "LB-EEC232B40968", "smiles": "CCCCCCN1CCc2ccccc2C1"}, {"compound_id": "LB-48E60122E37A", "smiles": "COc1ccccc1OCCCC1CCOCC1"}, {"compound_id": "LB-129EBDAEC925", "smiles": "COc1ccccc1OCCOC1CCOCC1"}, {"compound_id": "LB-C042CD6F4363", "smiles": "COc1ccccc1OCCON1CCOCC1"}, {"compound_id": "LB-381CD408216E", "smiles": "COc1ccccc1OCCCN1CCOCC1"}, {"compound_id": "LB-7E554BC4EFBE", "smiles": "c1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1"}, {"compound_id": "LB-91AD91FC2A15", "smiles": "c1ccc2c(c1)CCCC2OCCC1CCCCC1"}, {"compound_id": "LB-FF9E3AEBDFB7", "smiles": "c1ccc2c(c1)CCCN2OCCC1CCCCC1"}, {"compound_id": "LB-A12528F1F415", "smiles": "c1ccc2c(c1)CCCN2CCCC1CCCCC1"}, {"compound_id": "LB-8D8B0FD81F24", "smiles": "CCOP(C)(=O)OCC"}, {"compound_id": "LB-AD999A4D8B49", "smiles": "CCOP(=O)(OCC)C(F)F"}, {"compound_id": "LB-8878000838C8", "smiles": "CCOP(=O)(OCC)c1ccccc1"}, {"compound_id": "LB-674C6E0980DA", "smiles": "CP(=O)(OC1CCCCC1)OC1CCCCC1"}, {"compound_id": "LB-777FC9567A72", "smiles": "CCOP(=O)(OCC)C(F)(F)Br"}, {"compound_id": "LB-70CE8A984287", "smiles": "CCOP(=S)(OCC)c1ccccc1"}, {"compound_id": "LB-5B6A3BF139CA", "smiles": "CCOP(C)(=O)OCCN(C(C)C)C(C)C"}, {"compound_id": "LB-B354FB364EDD", "smiles": "O=P(O)(O)C(O)(c1ccccc1)P(=O)(O)O"}, {"compound_id": "LB-A7362E0C123D", "smiles": "CCOP(C)(=S)OCC"}, {"compound_id": "LB-44090030EC3B", "smiles": "CCOP(C)(=O)SCC"}, {"compound_id": "LB-B4C7F6430BBD", "smiles": "CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C"}, {"compound_id": "LB-6434422E569F", "smiles": "COP(=O)(OC)OC"}, {"compound_id": "LB-AA8178DA63B4", "smiles": "CCOP(=O)(OCC)OCC"}, {"compound_id": "LB-717E4C970279", "smiles": "CCOP(=O)(OCC)Oc1ccc(OC)cc1"}, {"compound_id": "LB-CE6E9EDEDDAF", "smiles": "CCOP(=O)(OCC)SCC"}, {"compound_id": "LB-C5C3A4F3A61B", "smiles": "CCNP(=O)(OCC)OCC"}, {"compound_id": "LB-A6699AB65091", "smiles": "CCOP(=S)(OCC)OCC"}, {"compound_id": "LB-D97533EC4478", "smiles": "CCOP(=S)(OCC)SCC"}, {"compound_id": "LB-A58F196A30B6", "smiles": "CCOP(=S)(OCC)Oc1ccc(OC)cc1"}, {"compound_id": "LB-57DB11D07D8B", "smiles": "CNC(=O)/C=C(\\C)OP(=O)(OC)OC"}, {"compound_id": "LB-238796ACB871", "smiles": "COP(C)(=O)OC"}, {"compound_id": "LB-EC6BCE87E3A6", "smiles": "CP(C)(C)=O"}, {"compound_id": "LB-9C16FBFF4A46", "smiles": "CP(C)(C)=S"}, {"compound_id": "LB-53B0B5242101", "smiles": "CP(C)(C)=[Se]"}, {"compound_id": "LB-B3BD18970012", "smiles": "O=P(CCCO)(CCCO)CCCO"}, {"compound_id": "LB-0BCBF05F553E", "smiles": "OCCCP(=S)(CCCO)CCCO"}, {"compound_id": "LB-93FC9DD325BC", "smiles": "OCCCP(=[Se])(CCCO)CCCO"}, {"compound_id": "LB-8B06EC7B754C", "smiles": "C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1"}, {"compound_id": "LB-8444C389A7FF", "smiles": "O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1"}, {"compound_id": "LB-10A8BF19DCF5", "smiles": "CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1"}, {"compound_id": "LB-CC2C6AC679EA", "smiles": "COc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1"}, {"compound_id": "LB-489B830B8943", "smiles": "COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1"}, {"compound_id": "LB-3AA29BCA02AC", "smiles": "COc1ccc(F)c([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c1"}, {"compound_id": "LB-D9C342995938", "smiles": "COc1ccc(Cl)c([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c1"}, {"compound_id": "LB-8F7AD0660ADD", "smiles": "COc1cc(F)cc([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c1"}, {"compound_id": "LB-1957729D91A3", "smiles": "COc1cc([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)ccc1F"}, {"compound_id": "LB-29031C122A55", "smiles": "COc1cccc([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c1F"}, {"compound_id": "LB-54C0C792DC04", "smiles": "C[C@@H]1CN(c2ccncc2F)CCN1C(=O)N[C@H](C)c1cccc2nccn12"}, {"compound_id": "LB-C422C9080750", "smiles": "C[C@@H]1CN(c2ccncc2F)CCN1C(=O)N[C@H](C)c1cccn2nccc12"}, {"compound_id": "LB-6C89D2609148", "smiles": "COc1cccc([C@@H](C)NC(=O)N2CCN(c3ccncc3F)C[C@H]2C)c1"}, {"compound_id": "LB-4E4B4C4D02E6", "smiles": "Nc1cc(C(F)(F)F)c(-c2cc(N3CCCC3=O)nc(N3CCOCC3)n2)cn1"}, {"compound_id": "LB-FB6D8C2419DA", "smiles": "Nc1cc(C(F)(F)F)c(-c2cc(N3CCNC3=O)nc(N3CCOCC3)n2)cn1"}, {"compound_id": "LB-035B8A913A0F", "smiles": "Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC3=O)nc(N3CCOCC3)n2)cn1"}, {"compound_id": "LB-37FB7EDE927F", "smiles": "C[C@H]1OC(=O)N(c2nc(-c3cnc(N)nc3C(F)(F)F)cc(N3CCOCC3)n2)[C@H]1CO"}, {"compound_id": "LB-D62A961D69A2", "smiles": "CN(C)c1ccc(/C=C/C2=[O+][B-](F)(F)OC(/C=C/c3ccc(OCCOCC[18F])cc3)=C2)cc1"}, {"compound_id": "LB-6A234C55C652", "smiles": "CN(C)c1ccc2cc(/C=C/C=C(C#N)C#N)ccc2c1"}, {"compound_id": "LB-14D962A57131", "smiles": "CN(C)c1ccc2cc(/C=C/C=C/C=C(C#N)C#N)ccc2c1"}, {"compound_id": "LB-6B9BC741C7BB", "smiles": "CCOC(=O)CN1C(=O)/C(=C/c2ccc3c(c2)Sc2ccccc2N3C)SC1=S"}, {"compound_id": "LB-0921D50F31DE", "smiles": "CCOC(=O)CN1C(=O)S/C(=C\\C=C\\c2ccc3c(c2)Sc2ccccc2N3C)C1=O"}, {"compound_id": "LB-C23707145BD1", "smiles": "CN(C)c1ncc(/C=C/c2nc3cc(OCC[18F])ccc3[se]2)cn1"}, {"compound_id": "LB-CBCE05040C51", "smiles": "CCN(CC)c1ccc(/C=C/C2=CC(/C=C/c3ccc(N(C)C)cc3)=[O+][B-](F)(F)O2)cn1"}, {"compound_id": "LB-DB997DD01BDC", "smiles": "CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1"}, {"compound_id": "LB-5316D8F91D6C", "smiles": "CN(C)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1"}, {"compound_id": "LB-362308903611", "smiles": "CCCN(CCC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1"}, {"compound_id": "LB-05E6FFEEC25E", "smiles": "CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1"}, {"compound_id": "LB-FAF2CB104EDD", "smiles": "CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1"}, {"compound_id": "LB-D3621A5C24B4", "smiles": "CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1"}, {"compound_id": "LB-177064798AA2", "smiles": "CCN(CC)Cc1ccccc1CNC(=O)c1cc(Br)cc(NC(=O)c2ccc(F)cc2)c1"}, {"compound_id": "LB-3BD0F5A0ED2B", "smiles": "CCN(CC)Cc1ccccc1CNC(=O)c1cc(C)cc(NC(=O)c2ccc(F)cc2)c1"}, {"compound_id": "LB-BF5B263B795C", "smiles": "CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1C"}, {"compound_id": "LB-7B88C306A70D", "smiles": "CCN(CC)Cc1ccccc1CNC(=O)c1cc(F)cc(NC(=O)c2ccc(F)cc2)c1"}, {"compound_id": "LB-0D544DE9C610", "smiles": "CCN(CC)Cc1ccccc1CNC(=O)c1cc(Cl)cc(NC(=O)c2ccc(F)cc2)c1"}, {"compound_id": "LB-AC5B52D83156", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCc1ccncc1)c1ccc(-c2scnc2C)cc1)C(C)(C)C"}, {"compound_id": "LB-20D63C78E4FF", "smiles": "CCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)=O)C(C)(C)C)c1ccc(-c2scnc2C)cc1"}, {"compound_id": "LB-6E548893974B", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCC(C)(C)C)c1ccc(-c2scnc2C)cc1)C(C)(C)C"}, {"compound_id": "LB-7ADDBFBAA4BD", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(c1ccccc1)c1ccc(-c2scnc2C)cc1)C(C)(C)C"}, {"compound_id": "LB-73B89CEC7A4B", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCc1ccc(Br)cc1)c1ccc(-c2scnc2C)cc1)C(C)(C)C"}, {"compound_id": "LB-763873D8E1B6", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCc1ccc(O)cc1)c1ccc(-c2scnc2C)cc1)C(C)(C)C"}, {"compound_id": "LB-617090146C6F", "smiles": "CCOC(=O)CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(C)=O)C(C)(C)C)c1ccc(-c2scnc2C)cc1"}, {"compound_id": "LB-A0B9934D8D2C", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCC(=O)O)c1ccc(-c2scnc2C)cc1)C(C)(C)C"}, {"compound_id": "LB-FAF10D596A74", "smiles": "CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C"}, {"compound_id": "LB-F9B6D555C5A9", "smiles": "C=C1CC[C@@H]2[C@]3(C)COC(c4ccc(F)c(Br)c4)O[C@@H]3CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O"}, {"compound_id": "LB-808031F09225", "smiles": "C=C1CC[C@@H]2[C@]3(C)COC(c4ccccc4Br)O[C@@H]3CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O"}, {"compound_id": "LB-A10F5D301074", "smiles": "C=C1CC[C@@H]2[C@]3(C)COC(c4cccc(Br)c4)O[C@@H]3CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O"}, {"compound_id": "LB-B7056438B6C6", "smiles": "O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@H]1C[C@@H]2CC[C@H]1O2"}, {"compound_id": "LB-9F65FBD2BF55", "smiles": "O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@@H]1CCOC1"}, {"compound_id": "LB-4F783ACA84CA", "smiles": "O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@H]1CCOC1"}, {"compound_id": "LB-B3CC82DE4A40", "smiles": "O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@@H]1CCCO1"}, {"compound_id": "LB-ED815513908E", "smiles": "O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@H]1CCCO1"}, {"compound_id": "LB-C7FC5BFA9B65", "smiles": "O=C(Cc1ccccc1)N[C@@H](Cc1coc2ccccc12)B(O)O"}, {"compound_id": "LB-1412963631BD", "smiles": "N#Cc1ccccc1CC(=O)N[C@@H](C[C@@H]1COc2ccccc21)B(O)O"}, {"compound_id": "LB-124A3208EFCB", "smiles": "O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@@H]1C[C@H]2CC[C@@H]1O2"}, {"compound_id": "LB-80F5F33221A4", "smiles": "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c(OC)c2)ccc1O"}, {"compound_id": "LB-36ECEA3C8BAE", "smiles": "CC1CC[C@@](CF)(c2cc(-c3cc4c(cn3)OC(F)(F)O4)ccc2F)N=C1N"}, {"compound_id": "LB-2FFEFE761A57", "smiles": "COc1cnc(-c2ccc(F)c([C@]3(C)CC[C@@](C)(C#N)C(N)=N3)c2)cn1"}, {"compound_id": "LB-7E10043C1855", "smiles": "COc1cnc(-c2ccc(F)c([C@]3(CF)CC[C@@](C)(C#N)C(N)=N3)c2)cn1"}, {"compound_id": "LB-66DB7B37A710", "smiles": "COc1cnc(-c2ccc(F)c([C@]3(CF)CC[C@](C)(C#N)C(N)=N3)c2)cn1"}, {"compound_id": "LB-FE020D44DA41", "smiles": "COc1cnc(-c2ccc(F)c([C@]3(C(F)F)CC[C@@](C)(C#N)C(N)=N3)c2)cn1"}, {"compound_id": "LB-BEC55FCFC317", "smiles": "CN(C)S(=O)(=O)[C@]1(C)CC[C@@](CF)(c2cc(-c3ccc(F)cn3)ccc2F)N=C1N"}, {"compound_id": "LB-97426C1E8B0D", "smiles": "COc1cnc(-c2ccc(F)c([C@]3(C)CC[C@@](C)(S(C)(=O)=O)C(N)=N3)c2)cn1"}, {"compound_id": "LB-4A22027E912A", "smiles": "C[C@@]1(S(C)(=O)=O)CC[C@@](CF)(c2nc(-c3cnc(OCF)cn3)ccc2F)N=C1N"}, {"compound_id": "LB-B5473E08EA3B", "smiles": "C[C@@]1(S(C)(=O)=O)CC[C@@](CF)(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)N=C1N"}, {"compound_id": "LB-C3E16AE411C7", "smiles": "C[C@@]1(c2cc(-c3cc4c(cn3)OC(F)(F)O4)ccc2F)CC[C@@](C)(S(=O)(=O)C(F)(F)F)C(N)=N1"}, {"compound_id": "LB-465519890AEE", "smiles": "C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CC[C@@](CF)(S(C)(=O)=O)C(N)=N1"}, {"compound_id": "LB-89C38816001C", "smiles": "COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)[C@](C)(S(C)(=O)=O)C[C@@H]3F)c2)cn1"}, {"compound_id": "LB-6C8C23FE1C00", "smiles": "C[C@@]1(c2nc(-c3ccc(F)cn3)cs2)CC[C@@](C)(S(C)(=O)=O)C(N)=N1"}, {"compound_id": "LB-A7E754F371B3", "smiles": "C[C@@]1(c2cc(-c3cnc(OCF)cn3)ccc2F)CCC(F)(F)C(N)=N1"}, {"compound_id": "LB-6F185A286C01", "smiles": "NC1=N[C@](CF)(c2cc(-c3cnc(OCF)cn3)ccc2F)CCC1(F)F"}, {"compound_id": "LB-0B74B8670DFD", "smiles": "CC(C)N(Cc1ccc(C(=O)NO)cc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F"}, {"compound_id": "LB-40BE215BE9CC", "smiles": "CC(C)N(Cc1ccc(C(=O)NO)cc1)Cc1cc(F)c(F)c(F)c1F"}, {"compound_id": "LB-CE62071994F0", "smiles": "CC(C)(C)c1ccc2oc(=O)cc(CSc3nc(Nc4ccccc4)c4ccccc4n3)c2c1"}, {"compound_id": "LB-4651859D51AF", "smiles": "Cc1cccc(Nc2nc(SCc3cc(=O)oc4ccc(C(C)(C)C)cc34)nc3ccccc23)c1C"}, {"compound_id": "LB-79ED00519B8C", "smiles": "Cc1ccc(Nc2nc(SCc3cc(=O)oc4ccc(C(C)(C)C)cc34)nc3ccccc23)c(C)c1"}, {"compound_id": "LB-1B4CB0B4D32D", "smiles": "COc1ccccc1Nc1nc(SCc2cc(=O)oc3ccc(C(C)(C)C)cc23)nc2ccccc12"}, {"compound_id": "LB-A9EDA438E52D", "smiles": "CC(C)(C)c1ccc2oc(=O)cc(CSc3nc(Nc4ccncc4)c4ccccc4n3)c2c1"}, {"compound_id": "LB-4D23A7AF3678", "smiles": "CCOc1ccc(-c2cncnc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl"}, {"compound_id": "LB-ED82EFE4FD20", "smiles": "COc1ccc(/C=C\\c2cc(OC)c(OC)c(OC)c2)cc1O"}, {"compound_id": "LB-FF5CC1B72415", "smiles": "COc1ccc([C@H]2CC(=O)c3cc(OC)cc(OC)c32)cc1"}, {"compound_id": "LB-79B1C730E26E", "smiles": "O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CCN2Cc1ccc(F)c(Br)c1"}, {"compound_id": "LB-46B9CC3F99AA", "smiles": "Cc1ccccc1CN1C(=O)C2=C(CCN(Cc3ccccc3)C2)N2CCN=C12"}, {"compound_id": "LB-D30C5F671C9E", "smiles": "CC1(C)CC(NC(=O)C(N)Cc2ccc(N(CCCl)CCCl)cc2)CC(C)(C)N1[O]"}, {"compound_id": "LB-8D1C72ACB231", "smiles": "CC[C@H](CC(=O)c1cc2cc(OC)c(OC)cc2[se]1)C(=O)O"}, {"compound_id": "LB-DB59CE4C3BDA", "smiles": "COc1cc2cc(C(=O)CCC(=O)O)sc2cc1OC"}, {"compound_id": "LB-0D9B10CB1EBD", "smiles": "O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(OCc3cn(C[C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)nn3)cc(O)c12"}, {"compound_id": "LB-8381924B8AAC", "smiles": "O=c1c(O)c(-c2ccc(O)c(OCc3cn(C[C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)nn3)c2)oc2cc(OCc3cn(C[C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)nn3)cc(O)c12"}, {"compound_id": "LB-0DC49D441F29", "smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCO[11CH3])cc23)c1"}, {"compound_id": "LB-559041EB9C67", "smiles": "COCCOc1cc2ncnc(Nc3cccc(-c4cn(CC[18F])nn4)c3)c2cc1OCCOC"}, {"compound_id": "LB-FC9F74A9B435", "smiles": "Cc1cccc(Nc2ccncc2S(=O)(=O)N/C(=N/C#N)NC(C)C)c1"}, {"compound_id": "LB-B9C96C92B6E8", "smiles": "Cc1cccc(Nc2ccncc2S(=O)(=O)N/C(=C/[N+](=O)[O-])NC(C)C)c1"}, {"compound_id": "LB-853C15AE24FA", "smiles": "Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=S)NC(C)C)c1"}, {"compound_id": "LB-6E5D54AEF736", "smiles": "COc1cc2c(=O)c3c(O)cccc3oc2c(O)c1OC"}, {"compound_id": "LB-A02EEE7D05F9", "smiles": "COc1cc2c(=O)c3c(O)cc(O)cc3oc2cc1O"}, {"compound_id": "LB-ED5C0AE09810", "smiles": "COc1ccc(OP(=O)(O)C(O)(c2cccc(Br)c2)P(=O)(O)Oc2ccc(OC)cc2)cc1"}, {"compound_id": "LB-BD767C0F7EBC", "smiles": "N=C(Nc1cnc(F)c(F)c1)Nc1cnc(F)c(F)c1"}, {"compound_id": "LB-B4CF6641B38C", "smiles": "CC(C)(CC(=O)N1CCN(c2ccc(O)cn2)CC1)c1ccccc1"}, {"compound_id": "LB-D146AD2E8375", "smiles": "CCCCCCCC[C@@H](C)C(=O)N1CCCC1CC(=O)N[C@@H](C[C@H](C)C[C@H](O)CC(=O)CC)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)CCO)C(C)C)C(C)CC"}, {"compound_id": "LB-98B4671F521D", "smiles": "CC(=O)N(Cc1ccccc1OCC[18F])c1cnccc1Oc1ccccc1"}, {"compound_id": "LB-E32B9F8B3877", "smiles": "C[Si]1(C)C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1"}, {"compound_id": "LB-5D9F73F2F360", "smiles": "O=C(O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21"}, {"compound_id": "LB-8D2B7EDAEA2D", "smiles": "C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc3ccccc23)CC1"}, {"compound_id": "LB-360CA67B1257", "smiles": "C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)CNC(=O)c2cccc3ccccc23)CC1"}, {"compound_id": "LB-DE6E4DF0735E", "smiles": "O=c1c2ccccc2n(CCCCCCn2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)c2ccccc12"}, {"compound_id": "LB-658E9E968558", "smiles": "COc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCCn1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1"}, {"compound_id": "LB-496E896D1C85", "smiles": "O=c1c2ccccc2n(CCCCCCn2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)c2ccccc12"}, {"compound_id": "LB-9CF5FC1085E9", "smiles": "COc1ccccc1CCNC1CC(=O)C(c2ccc(C)cc2)C1=O"}, {"compound_id": "LB-0AF3ABE70A45", "smiles": "NC(=O)C1=Cc2ccccc2C/C1=N/CC(=S)Nc1ccccc1"}, {"compound_id": "LB-292CD3076E61", "smiles": "C/C(=N\\NC(=O)c1ccccn1)c1c(C)[nH]n(-c2ccccc2)c1=O"}, {"compound_id": "LB-8EC7E24C73AD", "smiles": "O=c1cc(N2CCC(N3CCCC3)CC2)c2ccccc2o1"}, {"compound_id": "LB-DE4E05917AFD", "smiles": "Fc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1F"}, {"compound_id": "LB-50F46FD0DD00", "smiles": "Fc1cc(Br)cc([C@@H]2C[C@H](c3cccc(Br)c3)n3nnnc3N2)c1"}, {"compound_id": "LB-15F7F0742969", "smiles": "O=[N+]([O-])c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12"}, {"compound_id": "LB-E10C92A1FA88", "smiles": "Oc1nc2nonc2nc1Nc1ccc(OC(F)(F)F)cc1"}, {"compound_id": "LB-C3B0C23C489F", "smiles": "CCCCCCCCc1ccc(OCC(=O)Cn2cc(CCC(=O)O)c(C(=O)C(C)C)c2)cc1"}, {"compound_id": "LB-9F9ECA6C6CEB", "smiles": "CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc1CCC(=O)O"}, {"compound_id": "LB-6B4E66ED4C8E", "smiles": "CC(C)C(=O)c1cn(CC(=O)COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1CCC(=O)O"}, {"compound_id": "LB-8DE18A917FF0", "smiles": "CC(C)C(=O)c1cn(CC(=O)COc2ccc3[nH]ccc3c2F)cc1CCC(=O)O"}, {"compound_id": "LB-DDE57BE16D11", "smiles": "CC(C)C(=O)c1cn(CC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1CCC(=O)O"}, {"compound_id": "LB-B6A45F5FA27A", "smiles": "CCCCCCCCc1ccc(OCC(=O)Cn2cc(CCC(=O)O)c(-c3nc(C)no3)c2)cc1"}, {"compound_id": "LB-9734CA61E4B8", "smiles": "CCCCCCCCc1ccc(OCC(=O)C(C)n2cc(CCC(=O)O)c(-c3nc(C)no3)c2)cc1"}, {"compound_id": "LB-21447B329F4D", "smiles": "CCCCCCCCc1ccc(OC(C)C(=O)Cn2cc(CCC(=O)O)c(-c3nc(C)no3)c2)cc1"}, {"compound_id": "LB-3F3350D8B05E", "smiles": "Cc1noc(-c2cn(CC(=O)C(C)Oc3ccc(Oc4ccc(F)cc4)cc3)cc2CCC(=O)O)n1"}, {"compound_id": "LB-76F35C497E18", "smiles": "Cc1noc(-c2cn(CC(=O)C(C)Oc3ccc(Oc4ccc(Cl)cc4)cc3)cc2CCC(=O)O)n1"}, {"compound_id": "LB-3EE01E2F1D45", "smiles": "Cc1noc(-c2cn(CC(=O)C(C)Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)cc2CCC(=O)O)n1"}, {"compound_id": "LB-128ADFE31049", "smiles": "Cl.Cl.N=C(NCCCCCCCCCCNC(=N)Nc1ncc(Cl)cn1)Nc1ncc(Cl)cn1"}, {"compound_id": "LB-1CA81B798434", "smiles": "Clc1ccc(Nc2ccnc(Nc3ccc(Cl)cc3)n2)cc1"}, {"compound_id": "LB-782AAE9CA80A", "smiles": "Cl.Cl.N=C(NCCCCCCCCCCCCNC(=N)Nc1ncc(Cl)cn1)Nc1ncc(Cl)cn1"}, {"compound_id": "LB-9888331EF4C5", "smiles": "C[C@@H]1CC[C@H]2[C@@H](C)C(N3CCS(=O)(=O)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4"}, {"compound_id": "LB-B67216513D6D", "smiles": "CSc1ccc(C(Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1"}, {"compound_id": "LB-F94E6526BB29", "smiles": "COc1ccc(C(c2c(-c3ccccc3)n(O)c3ccccc23)N2CCN(C)CC2)cc1"}, {"compound_id": "LB-939CF196CDDB", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C.[Na+]"}, {"compound_id": "LB-5A7879A6CBB4", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1"}, {"compound_id": "LB-F9F5FC4068DB", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1"}, {"compound_id": "LB-82F399747655", "smiles": "COc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCOCC1"}, {"compound_id": "LB-9C8CB4E4ADCC", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCOCC2)c(OCC)c1"}, {"compound_id": "LB-3393746B4E46", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCOCC2)c(OCC)c1"}, {"compound_id": "LB-2E91494B02F0", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCOCC1"}, {"compound_id": "LB-722B206808D8", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1"}, {"compound_id": "LB-3D7826736FD7", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1"}, {"compound_id": "LB-568581C42057", "smiles": "COc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1"}, {"compound_id": "LB-750E4F1F1FFA", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OCC)c1"}, {"compound_id": "LB-95F4465BE46A", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OCC)c1"}, {"compound_id": "LB-66188CA1B5EC", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1"}, {"compound_id": "LB-947EAE0BF384", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCNCC2)c(OC)c1"}, {"compound_id": "LB-37B1CD2E2919", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCNCC2)c(OC)c1"}, {"compound_id": "LB-3232B19438FA", "smiles": "COc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCNCC1"}, {"compound_id": "LB-685F70D02294", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCNCC2)c(OCC)c1"}, {"compound_id": "LB-7A6C9CEBB62E", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCNCC2)c(OCC)c1"}, {"compound_id": "LB-45475CD534BB", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCNCC1"}, {"compound_id": "LB-CE6027D600D7", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1"}, {"compound_id": "LB-817EB2097D58", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1"}, {"compound_id": "LB-2258F07027E6", "smiles": "COc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCCC1"}, {"compound_id": "LB-E1A649648583", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCCC2)c(OCC)c1"}, {"compound_id": "LB-D39F77756EBE", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCCC2)c(OCC)c1"}, {"compound_id": "LB-EB4EED08B430", "smiles": "CCOc1cc(CC(=O)OCC(F)(F)F)ccc1OCC(=O)N(CC)CC"}, {"compound_id": "LB-1776F69EF8BE", "smiles": "CCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F"}, {"compound_id": "LB-264B7089B6C0", "smiles": "CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C(C)C)nn1"}, {"compound_id": "LB-4D5119FAD43B", "smiles": "OC(CN1CCC2(CC1)CC(O)c1ccc3ccccc3c1O2)c1ccc(F)c(F)c1"}, {"compound_id": "LB-2EAD820347ED", "smiles": "O=C(CCCCCCC(=O)Nc1ccccc1)NO"}, {"compound_id": "LB-22F9234F7892", "smiles": "c1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1"}, {"compound_id": "LB-E706CF622E10", "smiles": "COc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1"}, {"compound_id": "LB-DC0C1426A173", "smiles": "O=Cc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1"}, {"compound_id": "LB-0F80CBF3ED99", "smiles": "c1ccc2c(-c3cn4ccnc4c(-c4ccc5ncn(C6CCCCC6)c5c4)n3)cccc2c1"}, {"compound_id": "LB-0449C6AEF930", "smiles": "Fc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1"}, {"compound_id": "LB-427F1D73916C", "smiles": "c1cn2cc(-c3ccsc3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1"}, {"compound_id": "LB-DB5991DAFCCF", "smiles": "Cc1cccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)c1"}, {"compound_id": "LB-BF1460FC0D53", "smiles": "CCc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1"}, {"compound_id": "LB-777AE76D4A17", "smiles": "CC(=O)c1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1"}, {"compound_id": "LB-DD78C2DC1A9C", "smiles": "Clc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1"}, {"compound_id": "LB-FD6234571194", "smiles": "Brc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)cc1"}, {"compound_id": "LB-9C3ECEA1F28A", "smiles": "COc1ccccc1-c1cn2ccnc2c(-c2ccc3ncn(C4CCCCC4)c3c2)n1"}, {"compound_id": "LB-F6A96A836A14", "smiles": "Fc1ccccc1-c1cn2ccnc2c(-c2ccc3ncn(C4CCCCC4)c3c2)n1"}, {"compound_id": "LB-862BE5609E63", "smiles": "c1csc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)c1"}, {"compound_id": "LB-9C8E037DC008", "smiles": "FC(F)(F)c1cccc(-c2cn3ccnc3c(-c3ccc4ncn(C5CCCCC5)c4c3)n2)c1"}, {"compound_id": "LB-B31FD30EA92E", "smiles": "CCc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(Cc5ccccc5)c4c3)n2)cc1"}, {"compound_id": "LB-88C3831C69E2", "smiles": "Cc1cccc(-c2cn3ccnc3c(-c3ccc4ncn(Cc5ccccc5)c4c3)n2)c1"}, {"compound_id": "LB-54C091810D00", "smiles": "O=Cc1ccc(-c2cn3ccnc3c(-c3ccc4ncn(Cc5ccccc5)c4c3)n2)cc1"}, {"compound_id": "LB-5AC50197BE34", "smiles": "c1ccc(Cn2cnc3ccc(-c4nc(-c5cccc6ccccc56)cn5ccnc45)cc32)cc1"}, {"compound_id": "LB-3B54E3319888", "smiles": "c1cn2cc(-c3ccc4ncn(C5CCCCC5)c4c3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1"}, {"compound_id": "LB-D74848F86250", "smiles": "c1cn2cc(-c3ccc4c(c3)ncn4C3CCCCC3)nc(-c3ccc4ncn(C5CCCCC5)c4c3)c2n1"}, {"compound_id": "LB-56C81501829E", "smiles": "c1ccc(Cn2cnc3ccc(-c4nc(-c5ccc6c(c5)ncn6C5CCCCC5)cn5ccnc45)cc32)cc1"}, {"compound_id": "LB-809454516397", "smiles": "CCCCCCCCCCCC(=O)NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]"}, {"compound_id": "LB-64B1738BD79D", "smiles": "CCCCCCCCCCCCCC(=O)NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]"}, {"compound_id": "LB-424F9DDA4F15", "smiles": "CCCCCCCCCCCCCCCC(=O)NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]"}, {"compound_id": "LB-56A6EAFC9AFC", "smiles": "CCCCCCCCCCCCCCCCCC(=O)NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+]"}, {"compound_id": "LB-F1D3934E5BD5", "smiles": "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C"}, {"compound_id": "LB-098F3D0D77F1", "smiles": "CN1[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12"}, {"compound_id": "LB-E146310E237B", "smiles": "O=C1NCCc2c1cnn2-c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ccn1"}, {"compound_id": "LB-C8C21920B026", "smiles": "O=C1NCCc2c1cnn2-c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)c1"}, {"compound_id": "LB-26B3D4A1E033", "smiles": "O=C1NCCc2c1cnn2-c1cncc(Cc2cc(F)cc(C(F)(F)F)c2)c1"}, {"compound_id": "LB-316BE34342CA", "smiles": "FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12"}, {"compound_id": "LB-97B9CEF330EC", "smiles": "O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(C2=Nn3cnnc3CC2)CC1"}, {"compound_id": "LB-D8A69A251A00", "smiles": "O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C2=Nn3cnnc3CC2)CC1"}, {"compound_id": "LB-63BDBEF186D3", "smiles": "O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3nncn3n2)CC1"}, {"compound_id": "LB-4540AFF72560", "smiles": "O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc3nncn3n2)CC1"}, {"compound_id": "LB-D8248D95F969", "smiles": "CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1"}, {"compound_id": "LB-5CCB1BF58E31", "smiles": "COc1cccc(NS(=O)(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1"}, {"compound_id": "LB-53ACDC3F8C22", "smiles": "CSc1cc(-c2ccc(Cl)cc2)[nH]n1"}, {"compound_id": "LB-3B59A34193A3", "smiles": "COC(=O)c1sc(-c2ccccc2)nc1O"}, {"compound_id": "LB-EA700B223959", "smiles": "CN(c1ncccc1Cn1ccc2cnc(-c3nc4cc(Cl)ccc4[nH]3)nc21)S(C)(=O)=O"}, {"compound_id": "LB-92F68657373A", "smiles": "CN(c1ncccc1CNc1nc(-c2nc3cc(Cl)ccc3[nH]2)ncc1Br)S(C)(=O)=O"}, {"compound_id": "LB-B97F086DB7BA", "smiles": "CN(c1ncccc1CNc1ccnc(-c2nc3cc(Cl)ccc3[nH]2)n1)S(C)(=O)=O"}, {"compound_id": "LB-79715600F6AB", "smiles": "O=C1C=C(NCCn2cc(-c3ccccc3)nn2)C(=O)c2ccccc21"}, {"compound_id": "LB-3BCA25CA542B", "smiles": "COc1ccc(-c2cn(CCNC3=CC(=O)c4ccccc4C3=O)nn2)cc1"}, {"compound_id": "LB-8BDFBC7B13CD", "smiles": "Cc1ccc(-c2cn(CCNC3=CC(=O)c4ccccc4C3=O)nn2)cc1"}, {"compound_id": "LB-9A2890A54646", "smiles": "CC(C)(O)c1cn(CCNC2=CC(=O)c3ccccc3C2=O)nn1"}, {"compound_id": "LB-31BE55D0FB14", "smiles": "O=C1C=C(NCCn2cc(C3(O)CCCCC3)nn2)C(=O)c2ccccc21"}, {"compound_id": "LB-73733059130B", "smiles": "CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CCC1(C)C"}, {"compound_id": "LB-C372D94C4589", "smiles": "CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3nc4ccc(Br)cc4s3)cc2)CCC1(C)C"}, {"compound_id": "LB-4AE8B67029AE", "smiles": "CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3ccc(O)cc3)cc2)CCC1(C)C"}, {"compound_id": "LB-146A690F5CCE", "smiles": "CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CCC1(C)C"}, {"compound_id": "LB-57D539D7B0F0", "smiles": "CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CCC1(C)C"}, {"compound_id": "LB-C4F82FF6643C", "smiles": "CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3nccs3)cc2)CCC1(C)C"}, {"compound_id": "LB-C64238EE7611", "smiles": "CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)CCC1(C)C"}, {"compound_id": "LB-1D8745C05DF4", "smiles": "CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)CCC1(C)C"}, {"compound_id": "LB-A3019A2A1EE9", "smiles": "CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3ccc4[nH]c(C(F)(F)F)nc4c3)cc2)CCC1(C)C"}, {"compound_id": "LB-E4CD06CC79C3", "smiles": "CCC1=C(C)/C(=C/c2ccc(-c3noc(-c4ccc(Br)cc4)n3)cc2)CCC1(C)C"}, {"compound_id": "LB-FA1DB76C93D9", "smiles": "CCC1=C(C)/C(=C/c2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)CCC1(C)C"}, {"compound_id": "LB-3AD15E4931FE", "smiles": "CCC1=C(C)/C(=C/c2ccc(-c3noc(-c4ccccc4OC(F)(F)F)n3)cc2)CCC1(C)C"}, {"compound_id": "LB-C1BF679C491E", "smiles": "CCC1=C(C)/C(=C/c2ccc(-c3noc(-c4cccnc4)n3)cc2)CCC1(C)C"}, {"compound_id": "LB-7813BA2FD9BB", "smiles": "CCC1=C(C)/C(=C/c2ccc(-c3noc(-c4ccncc4)n3)cc2)CCC1(C)C"}, {"compound_id": "LB-4F1D006C0C69", "smiles": "CCC1=C(C)/C(=C/c2ccc(C#N)cc2)CCC1(C)C"}, {"compound_id": "LB-661DB9738682", "smiles": "CCC1=C(C)/C(=C/c2ccc(/C(N)=N/O)cc2)CCC1(C)C"}, {"compound_id": "LB-1998A1158D2C", "smiles": "CCC1=C(C)/C(=C/c2ccc(C3=NOB(c4ccccc4)N3)cc2)CCC1(C)C"}, {"compound_id": "LB-0006CA48F6D5", "smiles": "CCC1=C(C)/C(=C/c2ccc(C(=O)NC(=N)N)cc2)CCC1(C)C"}, {"compound_id": "LB-B97F913942CF", "smiles": "CCc1ncc(-c2cc(C)no2)c(C2CCN(CC(=O)N3CCOCC3)CC2)n1"}, {"compound_id": "LB-AC98BF9F0CC6", "smiles": "CCN(CC)c1ccc(/C=C/C(=O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]2O)c(O)c1"}, {"compound_id": "LB-D020DA11CFFF", "smiles": "Oc1c(Br)cc(Br)c2nc3ccccc3nc12"}, {"compound_id": "LB-3A73DCB6D9F0", "smiles": "O=[N+]([O-])c1ccc(CS(=O)(=O)Oc2c(Br)cc(Br)c3nc4ccccc4nc23)cc1"}, {"compound_id": "LB-97C2BF0139F6", "smiles": "Cc1cccc2nc3c(O)c(Br)c(Cl)c(Br)c3nc12"}, {"compound_id": "LB-A770B1ABD828", "smiles": "Cc1cccc2nc3c(OS(=O)(=O)Cc4ccc([N+](=O)[O-])cc4)c(Br)c(Cl)c(Br)c3nc12"}, {"compound_id": "LB-7FAABBD6912C", "smiles": "CC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)C(N)=O"}, {"compound_id": "LB-38A86FE98562", "smiles": "CC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)C(N)=O"}, {"compound_id": "LB-104F7CDD0FD6", "smiles": "CC(=O)/C(=C/c1ccccc1Br)C(N)=O"}, {"compound_id": "LB-263829A919C8", "smiles": "CC(=O)/C(=C/c1ccc(Br)cc1)C(N)=O"}, {"compound_id": "LB-737762A64000", "smiles": "CC(=O)/C(=C/c1ccccc1F)C(N)=O"}, {"compound_id": "LB-477C6CC1E4A3", "smiles": "CC(=O)/C(=C/c1ccccc1Cl)C(N)=O"}, {"compound_id": "LB-53EA3C04A196", "smiles": "CC(=O)/C(=C/c1ccc(Cl)cc1)C(N)=O"}, {"compound_id": "LB-F1B3AF40668D", "smiles": "CC(=O)/C(=C/c1ccccc1C#N)C(N)=O"}, {"compound_id": "LB-03AF7A288C1F", "smiles": "CCc1ccc(/C=C(/C(C)=O)C(N)=O)cc1[N+](=O)[O-]"}, {"compound_id": "LB-343E8555FF83", "smiles": "CC(=O)/C(=C/c1ccccc1)C(N)=O"}, {"compound_id": "LB-2599BACC91F9", "smiles": "CC(=O)/C(=C/c1ccccc1[N+](=O)[O-])C(N)=O"}, {"compound_id": "LB-3FC9B7E3ED97", "smiles": "CC(=O)/C(=C/c1cccc(F)c1)C(N)=O"}, {"compound_id": "LB-EB476D4F792B", "smiles": "CC(=O)/C(=C/c1cccc(C#N)c1)C(N)=O"}, {"compound_id": "LB-626764B61842", "smiles": "CC(=O)/C(=C/c1ccc(C#N)cc1)C(N)=O"}, {"compound_id": "LB-45BA6DA7E2D9", "smiles": "CC(=O)/C(=C/c1ccc(O)cc1)C(N)=O"}, {"compound_id": "LB-27C3BFA262A2", "smiles": "COc1cccc(/C=C(/C(C)=O)C(N)=O)c1OC"}, {"compound_id": "LB-9C95059ED595", "smiles": "COc1cc(/C=C(/C(C)=O)C(N)=O)cc(OC)c1OC"}, {"compound_id": "LB-F60FAE190CA7", "smiles": "CC(=O)/C(=C/c1ccc(C)cc1)C(N)=O"}, {"compound_id": "LB-CAE0A366840F", "smiles": "CCc1ccc(/C=C(/C(C)=O)C(N)=O)cc1"}, {"compound_id": "LB-8A01ABE9657E", "smiles": "CC(=O)/C(=C/c1ccc(C(F)(F)F)cc1)C(N)=O"}, {"compound_id": "LB-226454C15A6E", "smiles": "CC(=O)/C(=C/c1ccc(OCc2ccccc2)cc1)C(N)=O"}, {"compound_id": "LB-151200FF3AA4", "smiles": "CC(=O)/C(=C/c1ccc2c(c1)OCO2)C(N)=O"}, {"compound_id": "LB-62D9E7AF9571", "smiles": "CC(=O)/C(=C/c1cccc(Br)c1)C(N)=O"}, {"compound_id": "LB-AFCEEC658405", "smiles": "[18F]CCOCCOCCOc1nc(-c2ccc(Br)cc2)nc2ccccc12"}, {"compound_id": "LB-643C6B484342", "smiles": "c1ccc(CC2CCN(CCOc3ccccc3)CC2)cc1"}, {"compound_id": "LB-7FAD789AC8A7", "smiles": "c1ccc(CC2CCN(CCCOc3ccccc3)CC2)cc1"}, {"compound_id": "LB-309C1E991A42", "smiles": "N#Cc1c(-c2ccc([18F])cc2)csc1OCc1ccc(CN)cc1"}, {"compound_id": "LB-F355B4C22B5F", "smiles": "Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3C[C@@H]([18F])C[C@@H]3C(=O)O)cc2Cl)cccc1-c1ccc2c(c1)OCCO2"}, {"compound_id": "LB-A1DE58F54DFD", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cccc(C(=O)N6CCOCC6)c5)c4C)nc23)C1"}, {"compound_id": "LB-11DC28FE9E42", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5ccc(C(=O)N6CCOCC6)cc5)c4C)nc23)C1"}, {"compound_id": "LB-E91FDE2E5F53", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5ccc(NC(=O)CN(C)C)cc5C)c4C)nc23)C1"}, {"compound_id": "LB-4193334B3CED", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5ccc(C(=O)N6CCN(C)CC6)cc5C)c4C)nc23)C1"}, {"compound_id": "LB-3F0FCAEB9ECB", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cc(C(=O)N6CCN(C)CC6)ccc5C)c4C)nc23)C1"}, {"compound_id": "LB-75ED6F1DE741", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cc(NC(=O)CN6CCN(C)CC6)ccc5C)c4C)nc23)C1"}, {"compound_id": "LB-74026A52282E", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cccc(NC(=O)CN(C)C)c5C)c4C)nc23)C1"}, {"compound_id": "LB-341F6B7BE0A5", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cccc(NC(=O)CN6CCOCC6)c5C)c4C)nc23)C1"}, {"compound_id": "LB-31F1CA2F367A", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cccc(C(=O)NCCN(C)C)c5)c4C)nc23)C1"}, {"compound_id": "LB-7EB80218BB13", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5cccc(C(=O)NCCN(C)C)c5C)c4C)nc23)C1"}, {"compound_id": "LB-EF1CF0DE0CBB", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5ccc(C(=O)NCCN(C)C)cc5)c4C)nc23)C1"}, {"compound_id": "LB-6AFD007FA574", "smiles": "CCS(=O)(=O)N1CC[C@H](Nc2c(Br)cnc3[nH]c(-c4cc(C)n(-c5ccc(C(=O)N(C)CCN(C)C)cc5)c4C)nc23)C1"}, {"compound_id": "LB-41C5847403C0", "smiles": "CC(C)(C)c1cc(CNC(=O)Nc2cccc3c2ccc(=O)n3CCO)n(-c2cccc(Cl)c2)n1"}, {"compound_id": "LB-9FD91BB8102E", "smiles": "CC1(c2cc(CNC(=O)Nc3cccc4c3ccc(=O)n4CCO)n(-c3cccc(Cl)c3)n2)CC1"}, {"compound_id": "LB-7E7AB3CC0348", "smiles": "C[C@](O)(Cn1ccc2cc(F)ccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"}, {"compound_id": "LB-C6B5939D59BD", "smiles": "C[C@](O)(Cn1nc(Cl)c2c(C(F)(F)F)cccc21)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1"}, {"compound_id": "LB-5E9C0F2D8459", "smiles": "CC(OC(F)F)C(F)(F)F"}, {"compound_id": "LB-96D5A54D349B", "smiles": "FC(F)OC(F)C(F)(F)F"}, {"compound_id": "LB-A8E6FC52E278", "smiles": "FCOC(C(F)(F)F)C(F)(F)[18F]"}, {"compound_id": "LB-22A5FB3349EB", "smiles": "FC(F)([18F])C(Cl)Br"}, {"compound_id": "LB-5FC1FF0E95C9", "smiles": "CN([11CH3])[C@]1(c2ccccc2Cl)CCCCC1=O"}, {"compound_id": "LB-7C7614B737CC", "smiles": "C[11CH2]OC(=O)c1cncn1[C@H](C)c1ccccc1"}, {"compound_id": "LB-395CD7C2DFA7", "smiles": "[11CH3]OC(=O)c1cncn1Cc1ccccc1"}, {"compound_id": "LB-7224A26EA88E", "smiles": "C[C@H](c1ccccc1)n1cncc1C(=O)OCC[18F]"}, {"compound_id": "LB-331C088CFAAF", "smiles": "COC(=O)c1cncn1[C@H](C)c1ccc([18F])cc1"}, {"compound_id": "LB-FA5D28370DE8", "smiles": "C[C@H](c1ccc(Cl)cc1)n1cncc1C(=O)OCC[18F]"}, {"compound_id": "LB-0669EEAF6444", "smiles": "CC[11C](=O)N(c1ccccc1)C1CCN(CC(O)c2ccccc2)CC1C"}, {"compound_id": "LB-401A8A32492D", "smiles": "CCC(=O)N(c1ccccc1)C1(C(=O)OCCC[18F])CCN(CCc2ccccc2)CC1"}, {"compound_id": "LB-1AA893329650", "smiles": "CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCCC[18F])CC1"}, {"compound_id": "LB-06634AC85BDA", "smiles": "COC(=O)C1(N(C(=O)C(C)[18F])c2ccccc2)CCN(CCc2cccs2)CC1"}, {"compound_id": "LB-51D6B9CBBDD1", "smiles": "CCOC(=O)c1ncn2c1CN([11CH3])C(=O)c1cc(F)ccc1-2"}, {"compound_id": "LB-577888FF96B8", "smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc([18F])ccc1-2"}, {"compound_id": "LB-943848B32AE8", "smiles": "CCCc1cc(Cl)cc2[nH]c(=O)c(-c3cccc(O[11CH3])c3)c(O)c12"}, {"compound_id": "LB-45593BD0B576", "smiles": "[11CH3]Oc1cccc(-c2c(O)c3c(I)cc(Cl)cc3[nH]c2=O)c1"}, {"compound_id": "LB-22C6591BB995", "smiles": "[11CH3]C(=O)c1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O"}, {"compound_id": "LB-FD63DA2FB292", "smiles": "Oc1ccc2c(c1)CCN(CCCCc1ccccc1[18F])C[C@@H]2O"}, {"compound_id": "LB-2E58574A4238", "smiles": "COc1cnc(OCc2cn(-c3ccc([18F])c(C)c3)nn2)nc1"}, {"compound_id": "LB-2B0EB11E1171", "smiles": "N[11C](=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1"}, {"compound_id": "LB-097078131892", "smiles": "[11CH3]n1c2c(c3ccccc31)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5"}, {"compound_id": "LB-19566C54F57F", "smiles": "CC(C)(O)[C@H]1C[C@@]23CC[C@]1(O[11CH3])[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5"}, {"compound_id": "LB-C55DCC65BFD4", "smiles": "CCN(CC)C[C@@H]1CN(C(=O)CO[11CH3])CCN1C(=O)Cc1ccc(C)c(C)c1"}, {"compound_id": "LB-29297602FBBD", "smiles": "CCN(CCF)C[C@@H]1CN(C(=O)CO[11CH3])CCN1C(=O)Cc1ccc(C)c(C)c1"}, {"compound_id": "LB-A7CB03D54D4C", "smiles": "NC(=O)c1ccc(Oc2ccc(CN3CCC[C@H]3c3cccnc3)cc2)c([18F])c1"}, {"compound_id": "LB-9B8D9216E21A", "smiles": "[18F]c1ccc2cnn(N=C3NCCN3)c2c1"}, {"compound_id": "LB-C7C61B62EA81", "smiles": "[11CH3]OCc1cccnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1"}, {"compound_id": "LB-11854E04C3D0", "smiles": "[11CH3]OCc1scnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1"}, {"compound_id": "LB-834278DB659A", "smiles": "[18F]c1ncccc1OC[C@H]1CCN1"}, {"compound_id": "LB-D575DCFDE5AC", "smiles": "[18F]c1ccc(C2CC3CCCC2N3)cn1"}, {"compound_id": "LB-DF98FC23D4CE", "smiles": "[11CH3]c1ccc(OC(=O)N2CCN3CCC2CC3)cc1"}, {"compound_id": "LB-C4804E19BDC4", "smiles": "O=S1(=O)c2cc(N3CCN4CCC3CC4)ccc2-c2cccc([18F])c21"}, {"compound_id": "LB-E3BA1E9C453F", "smiles": "[18F]c1ccc(OC[C@H]2CCN2)cn1"}, {"compound_id": "LB-517A0A66E5EA", "smiles": "CN1C2CCCC1C(c1cncc(-c3cccnc3[18F])c1)C2"}, {"compound_id": "LB-8774D58C88A1", "smiles": "CN1C2CCCC1C(c1cncc(-c3cccc([18F])n3)c1)C2"}, {"compound_id": "LB-FD18884CF04E", "smiles": "CN1CC=C[C@H]1COc1cccnc1[18F]"}, {"compound_id": "LB-BC5183BBEA8A", "smiles": "[18F]CCCc1cncc(OC[C@@H]2C=CCN2)c1"}, {"compound_id": "LB-6CA9344AA731", "smiles": "[18F]CCCc1cncc(OC[C@@H]2CCN2)c1"}, {"compound_id": "LB-8F29CDAA46CA", "smiles": "C[C@@H](C[11CH3])CCc1cnc(Cl)c(/C=C/c2ccncc2)c1"}, {"compound_id": "LB-84AFA3D6C4EC", "smiles": "[18F]c1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1"}, {"compound_id": "LB-2CE48E78AF94", "smiles": "OC[C@H]1O[C@@H](O)[C@H]([18F])[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-C247474B2273", "smiles": "CC(C)C[C@H](N)[11C](=O)O"}, {"compound_id": "LB-1D81AA824E84", "smiles": "CN([11CH3])Cc1ccccc1Sc1ccc(C#N)cc1N"}, {"compound_id": "LB-46292B0F13F9", "smiles": "N#Cc1cc([18F])cc(C#Cc2ccccn2)c1"}, {"compound_id": "LB-B6C9CDA47FF5", "smiles": "CN(C)c1cccc2c(S(=O)(=O)N/N=C/c3ccc([18F])cc3)cccc12"}, {"compound_id": "LB-994645F23AB6", "smiles": "Cc1cn([C@H]2C[C@H]([18F])[C@@H](CO)O2)c(=O)[nH]c1=O"}, {"compound_id": "LB-B524748DA99A", "smiles": "CC(=O)N(Cc1ccccc1OCC[18F])c1ccccc1Oc1ccccc1"}, {"compound_id": "LB-05B44CB2810C", "smiles": "O=C(CNc1cccc(-c2cc(-c3ccc4c(c3)OCO4)n[nH]2)c1)NCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O"}, {"compound_id": "LB-A7FD1C8A558F", "smiles": "Cc1c(CCOc2ccc(C(=O)O)cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1"}, {"compound_id": "LB-4E165EDC2B52", "smiles": "O=C(O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccc(Oc2ccccc2)cc1"}, {"compound_id": "LB-4FBAB0ED33ED", "smiles": "O=C(O)CCCCn1nnc(Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)n1"}, {"compound_id": "LB-B3D84EFDF6D1", "smiles": "O=C(O)CCCCn1nnc(Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccc(F)cc23)n1"}, {"compound_id": "LB-188EB63C0AEB", "smiles": "O=C(O)CCCCn1nnc(Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)n1"}, {"compound_id": "LB-01D220033DE8", "smiles": "O=C(O)CCCCn1nnc(Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccc(C(F)(F)F)cc23)n1"}, {"compound_id": "LB-16BADCA0E4E7", "smiles": "Cc1ccc2c(c1)c(Cc1nnn(CCCCC(=O)O)n1)cn2Cc1ccc(Cl)cc1Cl"}, {"compound_id": "LB-FABBA5CEA9F0", "smiles": "CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C"}, {"compound_id": "LB-352F9EF7FD01", "smiles": "Nc1ccccc1-c1noc(-c2ccncc2)n1"}, {"compound_id": "LB-BA1A45EB4CC8", "smiles": "O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1"}, {"compound_id": "LB-6ED12E92AADA", "smiles": "O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)nn1"}, {"compound_id": "LB-B9E65DEF8F9D", "smiles": "O=C(O)C1(c2ccc(-c3cc(Cl)cc(Cl)c3)c(F)c2)CC1"}, {"compound_id": "LB-38A99F28D926", "smiles": "O=C(O)C1(c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)c2)CC1"}, {"compound_id": "LB-D4DE1E6DFB3E", "smiles": "Cc1ccc(-c2ccc(C3(C(=O)O)CC3)cc2F)cc1F"}, {"compound_id": "LB-AB988E72E687", "smiles": "O=C(Nc1ccc(Cl)cc1)c1cc(=O)c2cc(O)ccc2o1"}, {"compound_id": "LB-26D72EE17AAA", "smiles": "COc1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1"}, {"compound_id": "LB-17F0B4906D20", "smiles": "COc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1"}, {"compound_id": "LB-F22ACE0EA58E", "smiles": "O=C(Nc1ccccc1)c1coc2cccc(O)c2c1=O"}, {"compound_id": "LB-BF860FE986B7", "smiles": "Cc1ccc(NC(=O)c2coc3cccc(O)c3c2=O)cc1"}, {"compound_id": "LB-E2FEB917CB57", "smiles": "O=C(Nc1ccc(Cl)cc1)c1coc2cccc(O)c2c1=O"}, {"compound_id": "LB-D7C8DC19C5BC", "smiles": "O=C(Nc1cccc(Cl)c1)c1coc2cccc(O)c2c1=O"}, {"compound_id": "LB-AD5E3361B497", "smiles": "Cc1ccc(NC(=O)c2coc3cccc(O)c3c2=O)cc1C"}, {"compound_id": "LB-59E9B230BA99", "smiles": "C=CCSC[C@H]1NC(=O)[C@H](Cc2ccc(OC(C)=O)c(OC(C)=O)c2)NC1=O"}, {"compound_id": "LB-2F75D6C3A59C", "smiles": "C#CCSC[C@H]1NC(=O)[C@H](Cc2ccc(OC(C)=O)c(OC(C)=O)c2)NC1=O"}, {"compound_id": "LB-815F44ED823C", "smiles": "C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)c2ccccc2F)cc1F"}, {"compound_id": "LB-571A22D03F19", "smiles": "C/C(O)=C(\\C#N)C(=O)Nc1cc(O[C@@H](C)C(F)(F)F)c(C(=O)c2ccccc2Cl)cc1F"}, {"compound_id": "LB-958C48BBB704", "smiles": "O=C(/C=C/C=C/c1ccc(O)c(O)c1)N1CCCCC1"}, {"compound_id": "LB-C91D6123D8F1", "smiles": "N#C/C(=C\\C=C\\c1ccc(O)c(O)c1)C(=O)N1CCCCC1"}, {"compound_id": "LB-1C58CD5E3666", "smiles": "COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1"}, {"compound_id": "LB-47AE3C0D8355", "smiles": "Oc1ccc(/C=C/c2cc(O)c(O)c(O)c2)c(O)c1"}, {"compound_id": "LB-D1677B5D0416", "smiles": "OCCOc1ccc(/C=C/c2cc(OCCO)cc(OCCO)c2)cc1"}, {"compound_id": "LB-06AD277BAB41", "smiles": "CC(C)(C)C(=O)Oc1ccc(/C=C/c2cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c2)cc1"}, {"compound_id": "LB-EC9E10022214", "smiles": "COc1cc(-c2cc3ccc(O)cc3o2)cc(OC)c1OC"}, {"compound_id": "LB-69235564130D", "smiles": "Oc1ccc2cc(-c3cc(O)c(O)c(O)c3)oc2c1"}, {"compound_id": "LB-8F67F5F8B035", "smiles": "COc1cc(OC)cc(-c2cc3ccc(O)cc3o2)c1"}, {"compound_id": "LB-6F43B2D944B5", "smiles": "Oc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1"}, {"compound_id": "LB-240FF6E63F0B", "smiles": "COc1ccc(OC)c(-c2cc3ccc(OCc4ccccc4)cc3[nH]2)c1"}, {"compound_id": "LB-485EB29D07B8", "smiles": "COc1ccc(OC)c(-c2cc3ccc(O)cc3[nH]2)c1"}, {"compound_id": "LB-C9773C7CC5F5", "smiles": "COc1ccc(-c2cc3cc(OC)cc(OC)c3[nH]2)cc1"}, {"compound_id": "LB-53971B204BBC", "smiles": "COc1ccc(-c2cc3cc(C)cc(C)c3[nH]2)cc1"}, {"compound_id": "LB-80A6AE9F3FA7", "smiles": "O=C(O)/C=C\\C(=O)O.O=c1cc(N2CCN(CC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12"}, {"compound_id": "LB-241540A62885", "smiles": "Cl.O=c1cc(N2CCN(CC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12"}, {"compound_id": "LB-17AF18CFB12D", "smiles": "O=c1cc(N2CCN(CC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12"}, {"compound_id": "LB-012FB79F7C81", "smiles": "CCCCCCCCc1ccc(OCC(=O)Cn2nnc(CCC(=O)O)n2)cc1"}, {"compound_id": "LB-42C4715816A1", "smiles": "CCCCCCc1ccc(OCC(=O)Cn2nnc(CCC(=O)O)n2)cc1"}, {"compound_id": "LB-E86F4ACB9364", "smiles": "CCCCc1ccc(OCC(=O)Cn2nnc(CCC(=O)O)n2)cc1"}, {"compound_id": "LB-78A6833E5625", "smiles": "CCCCCCOc1ccc(OCC(=O)Cn2nnc(CCC(=O)O)n2)cc1"}, {"compound_id": "LB-667CC85B4F1F", "smiles": "CC(C)CCCOc1ccc(OCC(=O)Cn2nnc(CCC(=O)O)n2)cc1"}, {"compound_id": "LB-399B99AA78E2", "smiles": "O=C(O)CCc1nnn(CC(=O)COc2ccc(Oc3ccccc3)cc2)n1"}, {"compound_id": "LB-3BD481BDED61", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3ccccc3)cc1)CC2.[Br-]"}, {"compound_id": "LB-F227AA00F7D0", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3N(C(=O)c1cc[n+](Cc3ccccc3)cc1)CC2.[Br-]"}, {"compound_id": "LB-78D95A890866", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3N(C(=O)c1cc[n+](Cc3ccccc3)cc1)CC2.[Br-]"}, {"compound_id": "LB-D57976230BB7", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3ccc(F)cc3)cc1)CC2.[Br-]"}, {"compound_id": "LB-514B0FCB92B7", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3N(C(=O)c1cc[n+](Cc3ccc(F)cc3)cc1)CC2.[Br-]"}, {"compound_id": "LB-BC2A62E2DC45", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3N(C(=O)c1cc[n+](Cc3ccc(F)cc3)cc1)CC2.[Br-]"}, {"compound_id": "LB-137CD07D7247", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3c(F)cccc3F)cc1)CC2.[Br-]"}, {"compound_id": "LB-F8D2BCF1813C", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3ccccc3Cl)cc1)CC2.[Br-]"}, {"compound_id": "LB-1CF1A1D46891", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3N(C(=O)c1cc[n+](Cc3ccccc3Cl)cc1)CC2.[Br-]"}, {"compound_id": "LB-2FEED78619B6", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3N(C(=O)c1cc[n+](Cc3ccccc3Cl)cc1)CC2.[Br-]"}, {"compound_id": "LB-FAF3C27F101C", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3cccc(Cl)c3)cc1)CC2.[Br-]"}, {"compound_id": "LB-E09205248483", "smiles": "COc1cc2c3c(c1OC)-c1ccccc1CC3N(C(=O)c1cc[n+](Cc3ccc(Cl)cc3)cc1)CC2.[Br-]"}, {"compound_id": "LB-2F3690B38707", "smiles": "Clc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1"}, {"compound_id": "LB-0030F20C47A9", "smiles": "CN(C)c1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1"}, {"compound_id": "LB-95B07E97C339", "smiles": "COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1"}, {"compound_id": "LB-BBE838875B6D", "smiles": "c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1"}, {"compound_id": "LB-01239114E71F", "smiles": "CN(C)c1ccc(Cn2c(-c3ccc(N(C)C)cc3)nc3ccccc32)cc1"}, {"compound_id": "LB-7ACF364FA8C7", "smiles": "C[P+](C)(C)Bc1ccc(O)cc1"}, {"compound_id": "LB-4DA9EDA5463C", "smiles": "C[P+](C)(Bc1ccc(O)cc1)c1ccccc1"}, {"compound_id": "LB-4C71A5902FBE", "smiles": "CC[P+](Bc1ccc(O)cc1)(CC)CC"}, {"compound_id": "LB-4B313179B889", "smiles": "CC[P+](Bc1ccc(O)cc1)(CC)c1ccccc1"}, {"compound_id": "LB-616C1AE01813", "smiles": "C[P+](C)(C)Bc1cccc(O)c1"}, {"compound_id": "LB-08D6D8A6736B", "smiles": "C[P+](C)(Bc1cccc(O)c1)c1ccccc1"}, {"compound_id": "LB-54ECBBB2EED1", "smiles": "CC[P+](Bc1cccc(O)c1)(CC)CC"}, {"compound_id": "LB-6B52160E525B", "smiles": "CC[P+](Bc1cccc(O)c1)(CC)c1ccccc1"}, {"compound_id": "LB-17AFE278B310", "smiles": "CC(C)(C)Cc1ccc(O)cc1"}, {"compound_id": "LB-0DC54456C31F", "smiles": "CC(C)(Cc1ccc(O)cc1)c1ccccc1"}, {"compound_id": "LB-53A4ABE0B3C9", "smiles": "C[Si](C)(C)Cc1ccc(O)cc1"}, {"compound_id": "LB-1C5418CDC09E", "smiles": "C[Si](C)(Cc1ccc(O)cc1)c1ccccc1"}, {"compound_id": "LB-EC674F65DCBC", "smiles": "CC(C)[P+](Bc1ccc(O)cc1)(C(C)C)C(C)C"}, {"compound_id": "LB-C9D728D1BB89", "smiles": "CC(C)[P+](Bc1ccc(O)cc1)(c1ccccc1)C(C)C"}, {"compound_id": "LB-BA72F3E862BB", "smiles": "Oc1ccc(B[P+](C2CC2)(C2CC2)C2CC2)cc1"}, {"compound_id": "LB-2C83CA8CB279", "smiles": "CCCC[P+](Bc1ccc(O)cc1)(CCCC)CCCC"}, {"compound_id": "LB-026D02683681", "smiles": "Oc1ccc(B[P+](C2CCCC2)(C2CCCC2)C2CCCC2)cc1"}, {"compound_id": "LB-50DD1D5B5F7B", "smiles": "Oc1ccc(B[P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)cc1"}, {"compound_id": "LB-4BAE9CAF99B2", "smiles": "CC(C)[P+](Bc1cccc(O)c1)(c1ccccc1)C(C)C"}, {"compound_id": "LB-71EA539AE5F0", "smiles": "CCCC[P+](Bc1cccc(O)c1)(CCCC)CCCC"}, {"compound_id": "LB-8C845BFD002F", "smiles": "CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"}, {"compound_id": "LB-2C588D8F20E4", "smiles": "Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1"}, {"compound_id": "LB-29F0FF7F3997", "smiles": "NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12"}, {"compound_id": "LB-B714E5A34741", "smiles": "O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1"}, {"compound_id": "LB-5546459820CA", "smiles": "O=C(Nc1ccc(N=C2NCCN2)cc1Cl)c1ccc(N=C2NCCN2)c(Cl)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"}, {"compound_id": "LB-51C8E1C531EE", "smiles": "O=C(Nc1ccc(Nc2nc3ccccc3[nH]2)c(Cl)c1)c1ccc(Nc2nc3ccccc3[nH]2)c(Cl)c1"}, {"compound_id": "LB-800EAB5535C9", "smiles": "c1ccc2[nH]c(=Nc3ccc(CCc4ccc(N=c5[nH]c6ccccc6[nH]5)cc4)cc3)[nH]c2c1"}, {"compound_id": "LB-B8CCD0F4E6A5", "smiles": "c1ccc2[nH]c(Nc3ccc4c(c3)Cc3cc(Nc5nc6ccccc6[nH]5)ccc3-4)nc2c1"}, {"compound_id": "LB-1F50296E69AF", "smiles": "N=C(Nc1ccc(NC(=O)c2ccc(NC(=N)c3ccccn3)cc2)cc1)c1ccccn1"}, {"compound_id": "LB-C40B1550D3D6", "smiles": "N=C(Nc1ccc(NC(=O)c2ccc(NC(=N)c3ccccn3)cn2)nc1)c1ccccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"}, {"compound_id": "LB-8CA3B9890010", "smiles": "N=C(Nc1ccc(NC(=O)c2ccc(NC(=N)c3ccccn3)c(Cl)c2)c(Cl)c1)c1ccccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"}, {"compound_id": "LB-B72AE3B0DF51", "smiles": "Cl.Cl.N=C(Nc1ccc(NC(=O)c2ccc(NC(=N)c3ccccn3)cc2Cl)c(Cl)c1)c1ccccn1"}, {"compound_id": "LB-C70889E312ED", "smiles": "CC(C)Oc1cc(NC(=N)c2ccccn2)ccc1NC(=O)c1ccc(NC(=N)c2ccccn2)cc1OC(C)C.Cl.Cl"}, {"compound_id": "LB-12848A3623DB", "smiles": "N=C(Nc1ccc(NC(=O)c2ccc(NC(=N)c3ccccn3)c(F)c2)c(F)c1)c1ccccn1"}, {"compound_id": "LB-96DD3BF05C09", "smiles": "N=C(Nc1ccc(NC(=O)c2ccc(NC(=N)c3ccccn3)c(F)c2)cc1F)c1ccccn1"}, {"compound_id": "LB-D6678EE98DCA", "smiles": "N=C(Nc1ccc(C(=O)Nc2ccc(NC(=N)c3ccccn3)c(F)c2)c(F)c1)c1ccccn1"}, {"compound_id": "LB-BE7C00478C19", "smiles": "N=C(Nc1ccc(CCc2ccc(NC(=N)c3ccccn3)cc2)cc1)c1ccccn1"}, {"compound_id": "LB-38763DC4ECF2", "smiles": "N=C(Nc1ccc(NC(=O)Nc2ccc(NC(=N)c3ccccn3)cc2)cc1)c1ccccn1"}, {"compound_id": "LB-EAB21E70DF78", "smiles": "OB1OCc2cc(F)ccc21"}, {"compound_id": "LB-3082A5B6F57B", "smiles": "OB1ON=Cc2ccccc21"}, {"compound_id": "LB-8DA6C1487DD4", "smiles": "OB1NN=Cc2ccccc21"}, {"compound_id": "LB-71E508AD5C81", "smiles": "OB1ON=C(c2ccccc2)c2ccccc21"}, {"compound_id": "LB-B24825C489D6", "smiles": "OB1NN=C(c2ccccc2)c2ccccc21"}, {"compound_id": "LB-C6FDA22B7799", "smiles": "COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1OC"}, {"compound_id": "LB-A5B4521877CF", "smiles": "COC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1"}, {"compound_id": "LB-2ACB4C21DDD9", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccccc3N)cc1)CC2"}, {"compound_id": "LB-653F304A2715", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(N)cc3)cc1)CC2"}, {"compound_id": "LB-3502473415A6", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C(=O)O)cc3)cc1)CC2"}, {"compound_id": "LB-A9925EFC7BFF", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)CC34CC5CC(CC(C5)C3)C4)cc1)CC2"}, {"compound_id": "LB-BF40244FB6A1", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)CCNC(=O)CC34CC5CC(CC(C5)C3)C4)cc1)CC2"}, {"compound_id": "LB-BAF9323B2976", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)C34CC5CC(CC(C5)C3)C4)cc1)CC2"}, {"compound_id": "LB-42A3ABAA44AD", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)cc1)CC2"}, {"compound_id": "LB-BDC75B40B6E9", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C(=O)N4CCN(C(=O)CC56CC7CC(CC(C7)C5)C6)CC4)cc3)cc1)CC2"}, {"compound_id": "LB-90D706FE9F3E", "smiles": "COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C(=O)NCCNC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)cc1)CC2"}, {"compound_id": "LB-DFA740D590CE", "smiles": "COC(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"}, {"compound_id": "LB-0896057E0720", "smiles": "NC(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"}, {"compound_id": "LB-A550699465B9", "smiles": "CNC(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"}, {"compound_id": "LB-1CF6E202B4C6", "smiles": "CN(C)C(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"}, {"compound_id": "LB-DB9F1ADB45B1", "smiles": "CON(C)C(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl"}, {"compound_id": "LB-0EF9ACB7AFF3", "smiles": "C[C@@H]1[C@@H](C)C/C=C/[C@H](O)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"}, {"compound_id": "LB-681EF0F1A02E", "smiles": "CO[C@H]1/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-280486376798", "smiles": "CO[C@H]1/C(F)=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-A878FF5D6B79", "smiles": "CO[C@@H]1/C(F)=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-8C3B13C28A06", "smiles": "C/C1=C\\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@H]1CO)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-AEF85538F1F0", "smiles": "COC[C@H]1/C(C)=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-309B98C6AAA7", "smiles": "CO[C@H]1/C(F)=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2cnc3c(n2)N(C[C@@H]2CCO[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-4E2830123111", "smiles": "CO[C@H]1/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-F616D8EED1DA", "smiles": "C[C@@H]1[C@@H](C)C/C=C(\\F)[C@@](O)(CC#N)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"}, {"compound_id": "LB-3D5443679B6F", "smiles": "C[C@@H]1[C@@H](C)C/C=C(\\F)[C@@](O)(CC(=O)N(C)C)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"}, {"compound_id": "LB-8F086F83FDFC", "smiles": "COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@@H](OC)/C=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-ABDCAD1A7586", "smiles": "COc1nn(C)cc1C(=O)N[S@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@@H](OC)/C(F)=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-A1A6D8FE0934", "smiles": "COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@@H](OC)/C(F)=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-B01E2C7AB6C0", "smiles": "COc1nn(C)cc1C(=O)N[S@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@H](OC)/C(F)=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-9479AC7FB231", "smiles": "COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@H](OC)/C(F)=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-76A3CA645927", "smiles": "COc1nn(C)cc1C(=O)N[S@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@@](CN2CCN4CCOC[C@@H]4C2)(OC)/C(F)=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-4C80695A2535", "smiles": "COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@@](CN2CCN4CCOC[C@@H]4C2)(OC)/C(F)=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-D3824764E586", "smiles": "COc1nn(C)cc1C(=O)N[S@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@](CN2CCN4CCOC[C@@H]4C2)(OC)/C(F)=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-798BD80F7F17", "smiles": "COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]2[C@](CN2CCN4CCOC[C@@H]4C2)(OC)/C(F)=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-0E7AA3C26448", "smiles": "COCCOCCn1nc(C)c2c1CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCn1c(C(=O)O)c(C)c3c-2c(Cl)ccc31"}, {"compound_id": "LB-CB1F4E89A167", "smiles": "COc1nn(C)cc1C(=O)N[S@@]1(=O)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](OC)/C=C/C[C@H](C)C1)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-FB85CD41C68C", "smiles": "Cc1c(-c2c(-c3ccc(F)o3)sc3ncnc(O[C@H](Cc4ccccc4OCc4ccnn4CC(F)(F)F)C(=O)O)c23)ccc(OCCN2CCN(C)CC2)c1Cl"}, {"compound_id": "LB-75606D745D44", "smiles": "Cc1c2c(nn1C)CSCc1cc(n(C)n1)CSc1cc(c3ccccc3c1)OCCCc1c(C(=O)O)n(C)c3c-2c(Cl)ccc13"}, {"compound_id": "LB-2847BEA0DAE1", "smiles": "COCCN(CCOC)C[C@]1(OC)/C(F)=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-78A7F83CAD2F", "smiles": "CO[C@@]1(CN2CCN3CCOC[C@@H]3C2)/C(F)=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-113172E3104D", "smiles": "CO[C@]1(CN2CCN3CCOC[C@@H]3C2)/C(F)=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-666A299E23E0", "smiles": "CO[C@@]1(CN2CCN3CCOC[C@@H]3C2)/C(F)=C/C[C@H](C)[C@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-3A0DDABEE0A8", "smiles": "CO[C@@]1(CN2CCN3CCCC[C@@H]3C2)/C(F)=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CCO[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-99854C0BC848", "smiles": "C[C@@H]1[C@@H](C)C/C=C(\\F)[C@@](O)(CN2CCN3CCCC[C@@H]3C2)[C@@H]2OCC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O"}, {"compound_id": "LB-D292BD8DFD80", "smiles": "CO[C@]1(CN2CCN3CCCC[C@@H]3C2)/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3"}, {"compound_id": "LB-F30347E55924", "smiles": "CC(C)(C)c1cccc(CNCC(O)CNCCC(c2ccccc2)c2ccccc2)c1"}, {"compound_id": "LB-DB57D5AB93A4", "smiles": "O=C(Cc1c[nH]c2ccccc12)OC1(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)CCCCC1"}, {"compound_id": "LB-115268B5586C", "smiles": "O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)OC1(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)CCCCC1"}, {"compound_id": "LB-B888734ADFE1", "smiles": "O=C(/C=C/c1ccc(C(F)(F)F)cc1)OC1(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)CCCCC1"}, {"compound_id": "LB-DF48B919C0B3", "smiles": "O=C(CNS(=O)(=O)c1ccccc1)OC1(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)CCCCC1"}, {"compound_id": "LB-C5FD8EF382F5", "smiles": "O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1"}, {"compound_id": "LB-82CC2C5D3575", "smiles": "CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2[nH]ncc12"}, {"compound_id": "LB-5A86B6DE30C0", "smiles": "C[C@H](NC(=O)Cn1cnc2ccc(F)c(F)c21)c1ccc(C(C)(C)C)cc1"}, {"compound_id": "LB-9230C1E52FBC", "smiles": "Cc1ccc(N2c3cccc(C(=O)Nc4ccc(OCC(F)(F)F)nc4)c3OC[C@@H]2CO)nc1"}, {"compound_id": "LB-FE451405E71F", "smiles": "CCCc1nc(C(F)(F)F)ccc1/C=C/C(=O)N[C@H](C)c1cc(F)c(NS(C)(=O)=O)c(F)c1"}, {"compound_id": "LB-274B567ECA63", "smiles": "O=C(Nc1ccc(C(F)(F)F)cn1)N1CC=C(c2ncc([C@H](O)CO)cc2Cl)CC1"}, {"compound_id": "LB-5473A7F74AAE", "smiles": "CC(C)(O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(C(F)(F)F)cc3)nc2c1"}, {"compound_id": "LB-2918CE5FBF9D", "smiles": "CC(C)c1nc2cc(O)ccc2c(=O)n1-c1ccc(C#N)cc1"}, {"compound_id": "LB-69F22E81919C", "smiles": "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O"}, {"compound_id": "LB-8AAAD1E3016C", "smiles": "CNCC1CCCCN1C(=O)Oc1ccc(CNC(=O)CCCC/C=C/C(C)C)cc1OC"}, {"compound_id": "LB-5182330ADE39", "smiles": "CC(C)=CCCC1(C)CC1CO"}, {"compound_id": "LB-D2EEEC558496", "smiles": "O=C(NCc1ccccc1)c1cn(CC2CC2)c2cc(N3CCOCC3)ccc2c1=O"}, {"compound_id": "LB-0DA5926DAB3B", "smiles": "O=C(NCc1ccccc1)c1cn(CC2CCC2)c2cc(N3CCOCC3)ccc2c1=O"}, {"compound_id": "LB-900C81CF9CEF", "smiles": "O=C(NCc1ccccc1)c1cn(CC2CCCCC2)c2cc(N3CCOCC3)ccc2c1=O"}, {"compound_id": "LB-9C8E4A545D34", "smiles": "O=C(NCc1ccccc1)c1cn(C23CC(C2)C3)c2cc(N3CCOCC3)ccc2c1=O"}, {"compound_id": "LB-3263E2B88CA6", "smiles": "CCCCn1cc(C(=O)NC2(c3ccccc3)CC2)c(=O)c2ccc(N3CCOCC3)cc21"}, {"compound_id": "LB-025A4892EB3A", "smiles": "CCCCn1cc(C(=O)NC2(c3ccccc3)CC2)c(=O)c2cc(F)c(N3CCOCC3)cc21"}, {"compound_id": "LB-7E449F499CE0", "smiles": "CCCCn1cc(C(=O)NC2(c3ccccc3)CC2)c(=O)c2c(F)cc(N3CCOCC3)cc21"}, {"compound_id": "LB-6810BD8FB500", "smiles": "CCCCn1cc(C(=O)NC2(c3ccccc3)CCCC2)c(=O)c2ccc(N3CCOCC3)cc21"}, {"compound_id": "LB-02B1A54C49F8", "smiles": "CCCCn1cc(C(=O)NC2(c3ccccc3)CCCC2)c(=O)c2cc(F)c(N3CCOCC3)cc21"}, {"compound_id": "LB-85E6675D84C6", "smiles": "CCCCn1cc(C(=O)NC2(c3ccccc3)CCCCC2)c(=O)c2ccc(N3CCOCC3)cc21"}, {"compound_id": "LB-0EB7C38E08D3", "smiles": "CCCCn1cc(C(=O)NC2(c3ccccc3)CCCCC2)c(=O)c2cc(F)c(N3CCOCC3)cc21"}, {"compound_id": "LB-F68EA64D836B", "smiles": "CCCCn1cc(C(=O)NC2(c3ccccc3)CCCCC2)c(=O)c2c(F)cc(N3CCOCC3)cc21"}, {"compound_id": "LB-5D0BF32BB75B", "smiles": "CCCCn1cc(C(=O)NC2(c3ccccc3)CCOCC2)c(=O)c2ccc(N3CCOCC3)cc21"}, {"compound_id": "LB-D8317BE07746", "smiles": "CCCCn1cc(C(=O)NC2(c3ccccc3)CCS(=O)(=O)CC2)c(=O)c2ccc(N3CCOCC3)cc21"}, {"compound_id": "LB-34EB2E8F89A5", "smiles": "CCCCn1cc(C(=O)NCc2ccc(C#N)cc2)c(=O)c2c(F)cc(N3CCOCC3)cc21"}, {"compound_id": "LB-BC9FEEAB2560", "smiles": "CCCCn1cc(C(=O)NCc2cccc(C#N)c2)c(=O)c2c(F)cc(N3CCOCC3)cc21"}, {"compound_id": "LB-7D982B134581", "smiles": "CCCCn1cc(C(=O)NCc2ccc(CN)cc2)c(=O)c2ccc(N3CCOCC3)cc21"}, {"compound_id": "LB-D187FF65730D", "smiles": "CCCCn1cc(C(=O)NCc2ccc(CN)cc2)c(=O)c2cc(F)c(N3CCOCC3)cc21"}, {"compound_id": "LB-4AB51F810765", "smiles": "CCCCn1cc(C(=O)NCc2ccc(CN)cc2)c(=O)c2c(F)cc(N3CCOCC3)cc21"}, {"compound_id": "LB-96715E7FD761", "smiles": "CCCCn1cc(C(=O)NCc2cccc(CN)c2)c(=O)c2ccc(N3CCOCC3)cc21"}, {"compound_id": "LB-7BC270E9228F", "smiles": "CCCCn1cc(C(=O)NCc2cccc(CN)c2)c(=O)c2cc(F)c(N3CCOCC3)cc21"}, {"compound_id": "LB-6B0B4BDB3C08", "smiles": "CCCCn1cc(C(=O)NC23CC(C2)C3)c(=O)c2ccc(N3CCOCC3)cc21"}, {"compound_id": "LB-5D2ACFBFA3AC", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccc(OCCOCCOCCOC)cc21"}, {"compound_id": "LB-A1E6F36A4755", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccc(NCCOCCOCCOC)cc21"}, {"compound_id": "LB-A1AA143EA216", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccc(N3CCC(OCCOCCOCCOC)CC3)cc21"}, {"compound_id": "LB-BCE641EF4A89", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccc(N3CCCN(C)CC3)cc21"}, {"compound_id": "LB-36C317A8A3F9", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N3CCOCC3)c(Cl)c21"}, {"compound_id": "LB-B613B9A2A64F", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N3CCOCC3)c(Br)c21"}, {"compound_id": "LB-03F566F84EC7", "smiles": "CCCCn1cc(C(=O)NC2(c3ccccc3)CC2)c(=O)c2cc(F)c(N3CCOCC3)c(F)c21"}, {"compound_id": "LB-15FB1608CFB1", "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(OCC)c(N3CCOCC3)c(OCC)c21"}, {"compound_id": "LB-881A851098BF", "smiles": "CCCCN1CC(C)(C(=O)NCc2ccccc2)C(=O)c2ccc(N3CCOCC3)cc21"}, {"compound_id": "LB-4CF8C12B502F", "smiles": "Brc1ccccc1CN1[C@H](CN2CCCC2)C[C@@H]1c1ccccc1"}, {"compound_id": "LB-D677AFDA19FD", "smiles": "FC(F)(F)Oc1ccc([C@H]2C[C@@H](CN3CCCC3)N2Cc2ccccc2OC(F)(F)F)cc1"}, {"compound_id": "LB-46218A126F2C", "smiles": "FC(F)(F)c1cc([C@H]2C[C@@H](CN3CCCC3)N2Cc2ccccc2Br)cc(C(F)(F)F)c1"}, {"compound_id": "LB-79EB3417C3F8", "smiles": "Brc1cc(Br)cc([C@H]2C[C@@H](CN3CCCC3)N2Cc2ccccc2Br)c1"}, {"compound_id": "LB-5BFA8004113E", "smiles": "CNC[C@@H]1C[C@H](c2ccc(OC(F)(F)F)cc2)N1Cc1ccccc1OC(F)(F)F"}, {"compound_id": "LB-C18D2CE4FFCB", "smiles": "Clc1cc(Cl)cc([C@H]2C[C@@H](CN3CCCC3)N2Cc2ccccc2Br)c1"}, {"compound_id": "LB-A1EFFF30911F", "smiles": "CC(C)NC[C@@H]1C[C@H](c2ccc(OC(F)(F)F)cc2)N1Cc1ccccc1Br"}, {"compound_id": "LB-71DF8B868CDD", "smiles": "CC(C)NC[C@@H]1C[C@H](c2ccc(OC(F)(F)F)cc2)N1Cc1ccccc1OC(F)(F)F"}, {"compound_id": "LB-BE61B7137B41", "smiles": "COCCNC[C@@H]1C[C@H](c2ccc(OC(F)(F)F)cc2)N1Cc1ccccc1OC(F)(F)F"}, {"compound_id": "LB-50C91903E526", "smiles": "COc1ccc([C@H]2C[C@@H](CN3CCCC3)N2Cc2ccccc2Br)cc1"}, {"compound_id": "LB-B812B2FEF112", "smiles": "CC(C)NC[C@@H]1C[C@H](c2ccccc2)N1Cc1ccccc1OC(F)(F)F"}, {"compound_id": "LB-A3A31F790430", "smiles": "CN(C)C[C@@H]1C[C@H](c2cc(Br)cc(Br)c2)N1Cc1ccccc1Br"}, {"compound_id": "LB-3C49045E8615", "smiles": "CC(C)NC[C@@H]1C[C@H](c2ccccc2)N1Cc1ccccc1Br"}, {"compound_id": "LB-ADC535E48B13", "smiles": "C#CCNC[C@@H]1C[C@H](c2cc(Br)cc(Br)c2)N1Cc1ccccc1Br"}, {"compound_id": "LB-CDCAB2C54A3B", "smiles": "FC(F)(F)Oc1ccc(C2CCN(C[C@@H]3C[C@H](c4ccccc4)N3Cc3ccccc3Br)CC2)cc1"}, {"compound_id": "LB-FBAF8CEF2836", "smiles": "FC(F)(F)c1ccc(C2CCN(C[C@@H]3C[C@H](c4ccccc4)N3Cc3ccccc3Br)CC2)cc1"}, {"compound_id": "LB-923A4443F28A", "smiles": "C=C1CC/C=C(\\C)CC[C@@H]2C([C@H](C/C=C(\\C)COC(C)=O)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12"}, {"compound_id": "LB-65DCE10FECF0", "smiles": "Fc1cccc(F)c1Cn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"}, {"compound_id": "LB-DBE74779C235", "smiles": "Fc1cccc(Cl)c1Cn1cc(-c2ncc(C3CC3)cn2)c2cccnc21"}, {"compound_id": "LB-152A41A95A8E", "smiles": "Nc1nc(-c2cn(Cc3c(F)cccc3F)c3ncccc23)ncc1C1CC1"}, {"compound_id": "LB-7B1F95BD7BE2", "smiles": "Nc1nc(-c2cn(Cc3c(F)cccc3Cl)c3ncccc23)ncc1C1CC1"}, {"compound_id": "LB-DD8EB3A2DB26", "smiles": "COc1ccc(-c2c(NCc3ccccn3)c(=O)c2=O)cc1"}, {"compound_id": "LB-A3C3B0DBF884", "smiles": "O=c1c(NCc2ccccn2)c(-c2ccc(F)cc2)c1=O"}, {"compound_id": "LB-94E003C6F516", "smiles": "O=c1c(NCc2ccccn2)c(-c2ccc(C3CCCCC3)cc2)c1=O"}, {"compound_id": "LB-AFB1C8EF619C", "smiles": "O=c1c(NCc2ccccn2)c(-c2ccc(N3CCCCC3)cc2)c1=O"}, {"compound_id": "LB-7009B08F935E", "smiles": "O=c1c(NCc2ccccn2)c(-c2ccc(N3CCSCC3)cc2)c1=O"}, {"compound_id": "LB-B3257216500B", "smiles": "O=c1c(NCc2ccccn2)c(-c2ccc(N3CCNCC3)cc2)c1=O"}, {"compound_id": "LB-54352D754083", "smiles": "O=c1c(NCc2ccccn2)c(-c2ccc(C3CCNCC3)cc2)c1=O"}, {"compound_id": "LB-051A4BCEEA15", "smiles": "CCCNc1c(NCc2ccccn2)c(=O)c1=O"}, {"compound_id": "LB-332587AD765C", "smiles": "CCCCCCNc1c(NCc2ccccn2)c(=O)c1=O"}, {"compound_id": "LB-41CD141E7D72", "smiles": "O=c1c(NCCCBr)c(NCc2ccccn2)c1=O"}, {"compound_id": "LB-DF42C07703B1", "smiles": "C#CCNc1c(NCc2ccccn2)c(=O)c1=O"}, {"compound_id": "LB-8956AAD9909E", "smiles": "O=c1c(NCc2ccccn2)c(NC2CCCCC2)c1=O"}, {"compound_id": "LB-5C19A6896AA6", "smiles": "O=c1c(NCc2ccccn2)c(NC2CCCCCCC2)c1=O"}, {"compound_id": "LB-FEDFB9AC81A2", "smiles": "O=c1c(NCc2ccccn2)c(Nc2ccccc2)c1=O"}, {"compound_id": "LB-0D62063DA405", "smiles": "O=c1c(NCc2ccccc2)c(NCc2ccccn2)c1=O"}, {"compound_id": "LB-0AB39A11ECCC", "smiles": "O=c1c(NCc2cccnc2)c(NCc2ccccn2)c1=O"}, {"compound_id": "LB-0E17EC85B3E8", "smiles": "O=c1c(NCc2ccccn2)c(Nc2cc(C3CC3)n[nH]2)c1=O"}, {"compound_id": "LB-C7335FAB339E", "smiles": "O=c1c(NCc2ccccn2)c(N2CCOCC2)c1=O"}, {"compound_id": "LB-1DE74150E180", "smiles": "O=c1c(NCc2ccccn2)c(N2CCNCC2)c1=O"}, {"compound_id": "LB-5C74DDADED79", "smiles": "O=c1c(NCc2ccccn2)c(N2CCCCC2)c1=O"}, {"compound_id": "LB-BC1FA8434828", "smiles": "O=c1c(NCc2ccccn2)c(N2CCN(c3ccccc3)CC2)c1=O"}, {"compound_id": "LB-0E72D39E603F", "smiles": "O=c1c(NCc2ccccn2)c(N2CCC(c3ccccc3)CC2)c1=O"}, {"compound_id": "LB-DADC62183EFB", "smiles": "O=c1c(NCc2ccccn2)c(Nc2nc3ccccc3o2)c1=O"}, {"compound_id": "LB-6B7B02CFFDA2", "smiles": "O=c1c(NCc2ccccn2)c(Nc2nc3cc(Cl)ccc3o2)c1=O"}, {"compound_id": "LB-8859DB013DF9", "smiles": "O=c1c(NCc2ccccn2)c(Nc2nc3ccc(Cl)cc3o2)c1=O"}, {"compound_id": "LB-83DBFC085BBA", "smiles": "Cc1ccc2oc(Nc3c(NCc4ccccn4)c(=O)c3=O)nc2c1"}, {"compound_id": "LB-69313B2A446C", "smiles": "Cc1ccc2nc(Nc3c(NCc4ccccn4)c(=O)c3=O)oc2c1"}, {"compound_id": "LB-7CE1A838C461", "smiles": "O=c1c(NCc2ccccn2)c(Nc2nc3cc([N+](=O)[O-])ccc3o2)c1=O"}, {"compound_id": "LB-E536EE542BFB", "smiles": "O=c1c(NCc2ccccn2)c(Nc2nc3ccc([N+](=O)[O-])cc3o2)c1=O"}, {"compound_id": "LB-90872F9A28CD", "smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1"}, {"compound_id": "LB-028E2EC267BD", "smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NO)cc1"}, {"compound_id": "LB-8706BCB8307E", "smiles": "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2"}, {"compound_id": "LB-AD3343173AC8", "smiles": "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O"}, {"compound_id": "LB-060CAB7FB136", "smiles": "CN1CCC(Oc2ccc(NC(=O)c3cn4ccnc4s3)cn2)CC1"}, {"compound_id": "LB-8CE862D522CE", "smiles": "c1ccc(-c2ccnc(C3CCN(CC45CNCC4C5)CC3)n2)cc1"}, {"compound_id": "LB-A9BD47B1C666", "smiles": "CN1CCN(CCCCNC2CC3CCC(C2)N3Cc2ccccc2)CC1"}, {"compound_id": "LB-702E5D04D7A7", "smiles": "CC1(N2CCC2)CCC(NCC2CCN(Cc3ccccc3)C2)CC1"}, {"compound_id": "LB-923CF194461F", "smiles": "O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1c[nH]c2ccncc2c1=O"}, {"compound_id": "LB-667548D264A7", "smiles": "COc1ccc(-c2cncc(C(=O)NCC3CCN(CCN(C)C)CC3)c2)cc1"}, {"compound_id": "LB-2E3B3D36DA06", "smiles": "Cc1c(CN2CCC(O)(Cn3ccnc3)CC2)[nH]c2c(Cl)cccc12"}, {"compound_id": "LB-7B629436F46D", "smiles": "Cc1cnccc1N1CCCN(Cc2ccccc2OCCN2CCN(C)CC2)CC1"}, {"compound_id": "LB-C07B71E1F1DB", "smiles": "COc1ccc(/C=C(/C(=O)N2CCN(c3ccc(C)cc3)CC2)c2cc(OC)c(OC)c(OC)c2)cc1O"}, {"compound_id": "LB-05C5E8FCAA98", "smiles": "COc1ccc(/C=C(/C(=O)N2CCN(c3ccc(C)cc3)CC2)c2cc(OC)c(OC)c(OC)c2)cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-F2CCC8C2F0F2", "smiles": "COc1ccc(/C=C(/C(=O)N2CCN(c3ccc(C)cc3)CC2)c2cc(OC)c(OC)c(OC)c2)cc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-28C4B87C7D47", "smiles": "COc1ccc(/C=C(/C(=O)N2CCN(c3ccc(C)cc3)CC2)c2cc(OC)c(OC)c(OC)c2)cc1O[C@H]1O[C@@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-92F032135026", "smiles": "COc1ccc(/C=C(/C(=O)N2CCN(c3ccc(C)cc3)CC2)c2cc(OC)c(OC)c(OC)c2)cc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-C09324A57CE9", "smiles": "COc1cc(C(F)(F)F)c(OC)cc1[C@@H]1CCCNC1"}, {"compound_id": "LB-35292B10DB79", "smiles": "O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1"}, {"compound_id": "LB-3B5AAF9AE58E", "smiles": "O=C(O)c1cc(-c2ccc(C34CCN(CC3)CC4)cc2)cc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)c1"}, {"compound_id": "LB-EFC9563DD57E", "smiles": "O=C1CN2c3c(cccc3[C@@H]3CN(CCCOc4ccc(F)cc4)CC[C@@H]32)N1"}, {"compound_id": "LB-26D6B4D66D76", "smiles": "Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1O"}, {"compound_id": "LB-85B73ECBB98E", "smiles": "C[C@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3"}, {"compound_id": "LB-6D80B67C9C02", "smiles": "CCOC(=O)C(=O)Nc1ccc(C(C)=C(c2ccccc2)c2ccccc2)cc1"}, {"compound_id": "LB-19A2ED3C9515", "smiles": "CC(=C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1"}, {"compound_id": "LB-14DA742E8601", "smiles": "CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccccc2)c2ccccc2)cc1"}, {"compound_id": "LB-140A88918E29", "smiles": "CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2cccc(Br)c2)c2ccccc2)cc1"}, {"compound_id": "LB-288D0594DC3A", "smiles": "CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccccc2OC)c2ccccc2)cc1"}, {"compound_id": "LB-C0A78AE5849A", "smiles": "CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccc(OC)cc2)c2ccccc2)cc1"}, {"compound_id": "LB-D03FB3350086", "smiles": "CCOC(=O)C(=O)Nc1ccc(/C(=C(/C)c2ccc(Cl)cc2)c2ccccc2)cc1"}, {"compound_id": "LB-31DF3A78E31A", "smiles": "C/C(=C(\\c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1)c1ccccc1"}, {"compound_id": "LB-24BB8814FDD8", "smiles": "C/C(=C(\\c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1)c1cccc(Br)c1"}, {"compound_id": "LB-3C80E3EB2044", "smiles": "COc1ccccc1/C(C)=C(/c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1"}, {"compound_id": "LB-BF9412CA785A", "smiles": "COc1ccc(/C(C)=C(/c2ccccc2)c2ccc(NC(=O)C(=O)O)cc2)cc1"}, {"compound_id": "LB-08C87EB86B00", "smiles": "C/C(=C(\\c1ccccc1)c1ccc(NC(=O)C(=O)O)cc1)c1ccc(Cl)cc1"}, {"compound_id": "LB-66BF34AADEFD", "smiles": "CCOC(=O)C(=O)c1cn(CCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12"}, {"compound_id": "LB-F9A03AFA1856", "smiles": "CCOC(=O)C(=O)c1cn(CCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12"}, {"compound_id": "LB-A961C122845A", "smiles": "CCOC(=O)C(=O)c1cn(CCCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12"}, {"compound_id": "LB-33F142BB844E", "smiles": "CCOC(=O)C(=O)c1cn(CCCCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12"}, {"compound_id": "LB-0F0906FF8D42", "smiles": "CCOC(=O)C(=O)c1cn(CCCCCCNc2ccc(C(=C(C)c3ccccc3)c3ccccc3)cc2)c2ccccc12"}, {"compound_id": "LB-7118415F6DD1", "smiles": "CC(=C(c1ccccc1)c1ccc(NCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1"}, {"compound_id": "LB-CE94A83444F8", "smiles": "CC(=C(c1ccccc1)c1ccc(NCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1"}, {"compound_id": "LB-FAD6ED11F37A", "smiles": "CC(=C(c1ccccc1)c1ccc(NCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1"}, {"compound_id": "LB-72552CB90C67", "smiles": "CC(=C(c1ccccc1)c1ccc(NCCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1"}, {"compound_id": "LB-A716E29B8FD1", "smiles": "CC(=C(c1ccccc1)c1ccc(NCCCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1ccccc1"}, {"compound_id": "LB-A325A037F473", "smiles": "CCOC(=O)C(=O)c1cn(CCCCNc2ccc(/C(=C(/C)c3cccc(Br)c3)c3ccccc3)cc2)c2ccccc12"}, {"compound_id": "LB-9B4AE66094DF", "smiles": "CCOC(=O)C(=O)c1cn(CCCCCNc2ccc(/C(=C(/C)c3cccc(Br)c3)c3ccccc3)cc2)c2ccccc12"}, {"compound_id": "LB-D7A99CD9EFD0", "smiles": "CCOC(=O)C(=O)c1cn(CCCCNc2ccc(/C(=C(/C)c3ccccc3OC)c3ccccc3)cc2)c2ccccc12"}, {"compound_id": "LB-378DFA3DB3D7", "smiles": "CCOC(=O)C(=O)c1cn(CCCCCNc2ccc(/C(=C(/C)c3ccccc3OC)c3ccccc3)cc2)c2ccccc12"}, {"compound_id": "LB-8E545EB89894", "smiles": "C/C(=C(\\c1ccccc1)c1ccc(NCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1cccc(Br)c1"}, {"compound_id": "LB-2CEEF4C8C7BF", "smiles": "C/C(=C(\\c1ccccc1)c1ccc(NCCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1)c1cccc(Br)c1"}, {"compound_id": "LB-5210F8CE8A0E", "smiles": "COc1ccccc1/C(C)=C(/c1ccccc1)c1ccc(NCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1"}, {"compound_id": "LB-600710203E66", "smiles": "COc1ccccc1/C(C)=C(/c1ccccc1)c1ccc(NCCCCCn2cc(C(=O)C(=O)O)c3ccccc32)cc1"}, {"compound_id": "LB-854D9949FB08", "smiles": "N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1"}, {"compound_id": "LB-B1D64F8925EB", "smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1"}, {"compound_id": "LB-4AEF61ADC65E", "smiles": "Cl.Nc1nc(-c2ccc(Br)cc2)nc2ccccc12"}, {"compound_id": "LB-24873754A105", "smiles": "Cl.Nc1nc(-c2ccc(I)cc2)nc2ccccc12"}, {"compound_id": "LB-29ED0047A4F7", "smiles": "CNc1nc(-c2ccc(I)cc2)nc2ccccc12.Cl"}, {"compound_id": "LB-7298BBA1A3B4", "smiles": "CCNc1nc(-c2ccc(I)cc2)nc2ccccc12.Cl"}, {"compound_id": "LB-676E40A61E4B", "smiles": "Cl.FCCNc1nc(-c2ccc(I)cc2)nc2ccccc12"}, {"compound_id": "LB-E1F040C62B6A", "smiles": "O=C1CCC2(CC(c3ccccc3Cl)=NO2)C(=O)N1"}, {"compound_id": "LB-1408A5D5D92D", "smiles": "O=C1CCC2(CC(c3ccc(Cl)cc3Cl)=NO2)C(=O)N1"}, {"compound_id": "LB-EC7CC333BA24", "smiles": "O=C1CCC2(CC(c3c(Cl)cccc3Cl)=NO2)C(=O)N1"}, {"compound_id": "LB-3C81A9B1D8C8", "smiles": "O=C1CCC2(CC(c3ccccc3Br)=NO2)C(=O)N1"}, {"compound_id": "LB-5D33725AFF4E", "smiles": "O=C1CCC2(CC(c3ccccc3I)=NO2)C(=O)N1"}, {"compound_id": "LB-656B095F7768", "smiles": "O=C1CCC2(CC(c3ccccc3F)=NO2)C(=O)N1"}, {"compound_id": "LB-EAC9AEE45FFC", "smiles": "O=C1CCC2(CC(c3ccccc3[N+](=O)[O-])=NO2)C(=O)N1"}, {"compound_id": "LB-934A7C541856", "smiles": "COc1ccccc1C1=NOC2(CCC(=O)NC2=O)C1"}, {"compound_id": "LB-EFE62A7FCB7B", "smiles": "COc1ccc(C2=NOC3(CCC(=O)NC3=O)C2)c(OC)c1OC"}, {"compound_id": "LB-5B2D048362A6", "smiles": "O=C1CCC2(CC(C3CCCCC3)=NO2)C(=O)N1"}, {"compound_id": "LB-81BD887D15C0", "smiles": "O=C1CCC2(CC(C3CCCC3)=NO2)C(=O)N1"}, {"compound_id": "LB-B7FABC405BC2", "smiles": "CCCC1=NOC2(CCC(=O)NC2=O)C1"}, {"compound_id": "LB-A5247E1F6A5D", "smiles": "CC(C)(C)C1=NOC2(CCC(=O)NC2=O)C1"}, {"compound_id": "LB-659B1BB3D4A6", "smiles": "CCC(CC)C1=NOC2(CCC(=O)NC2=O)C1"}, {"compound_id": "LB-C5135A47696A", "smiles": "O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1"}, {"compound_id": "LB-29AD7E872005", "smiles": "N[C@H]1CCN(C(=O)C2Cc3c(O)c4c(c(O)c3C2)C(=O)c2ccccc2C4=O)C1"}, {"compound_id": "LB-7A53650E61B2", "smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O"}, {"compound_id": "LB-3E9135C89A1B", "smiles": "Clc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1"}, {"compound_id": "LB-AB3106125FBA", "smiles": "O=c1c(-c2cc(-c3ccccc3)no2)csc2ccccc12"}, {"compound_id": "LB-9B69B192402F", "smiles": "Cc1ccccc1-c1cc(-c2csc3ccccc3c2=O)on1"}, {"compound_id": "LB-FC0FDF6C448B", "smiles": "O=c1c(-c2cc(-c3ccccc3C(F)(F)F)no2)csc2ccccc12"}, {"compound_id": "LB-B1FC2A4EAE53", "smiles": "Cc1cccc(-c2cc(-c3csc4ccccc4c3=O)on2)c1"}, {"compound_id": "LB-5ACF71904031", "smiles": "O=c1c(-c2cc(-c3cccc(C(F)(F)F)c3)no2)csc2ccccc12"}, {"compound_id": "LB-6569BECE9D3E", "smiles": "Cc1ccc(-c2cc(-c3csc4ccccc4c3=O)on2)cc1"}, {"compound_id": "LB-2F0738621A9D", "smiles": "O=c1c(-c2cc(-c3ccc(C(F)(F)F)cc3)no2)csc2ccccc12"}, {"compound_id": "LB-C8FD249DF8CD", "smiles": "COc1ccc(-c2cc(-c3csc4ccccc4c3=O)[nH]n2)cc1"}, {"compound_id": "LB-E23CE7410D23", "smiles": "O=C1C(c2cc(-c3ccccc3)no2)=CS(=O)(=O)c2ccccc21"}, {"compound_id": "LB-114FE8DDB83E", "smiles": "Cc1ccccc1-c1cc(C2=CS(=O)(=O)c3ccccc3C2=O)on1"}, {"compound_id": "LB-2B146C3004B2", "smiles": "O=C1C(c2cc(-c3ccccc3C(F)(F)F)no2)=CS(=O)(=O)c2ccccc21"}, {"compound_id": "LB-0C07692C1A72", "smiles": "Cc1cccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)c1"}, {"compound_id": "LB-FB8D175B285D", "smiles": "O=C1C(c2cc(-c3cccc(C(F)(F)F)c3)no2)=CS(=O)(=O)c2ccccc21"}, {"compound_id": "LB-11EA6847D0A2", "smiles": "O=C1C(c2cc(-c3cccc(F)c3)no2)=CS(=O)(=O)c2ccccc21"}, {"compound_id": "LB-D9C7A1721632", "smiles": "O=C1C(c2cc(-c3cccc(Cl)c3)no2)=CS(=O)(=O)c2ccccc21"}, {"compound_id": "LB-F827C6C0D895", "smiles": "COc1cccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)c1"}, {"compound_id": "LB-809BA18E27B3", "smiles": "Cc1ccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)cc1"}, {"compound_id": "LB-4B90C90D4420", "smiles": "O=C1C(c2cc(-c3ccc(C(F)(F)F)cc3)no2)=CS(=O)(=O)c2ccccc21"}, {"compound_id": "LB-040EA28F77C8", "smiles": "O=C1C(c2cc(-c3ccc(F)cc3)no2)=CS(=O)(=O)c2ccccc21"}, {"compound_id": "LB-798710BC0712", "smiles": "O=C1C(c2cc(-c3ccc(Cl)cc3)no2)=CS(=O)(=O)c2ccccc21"}, {"compound_id": "LB-0785011326DC", "smiles": "COc1ccc(-c2cc(C3=CS(=O)(=O)c4ccccc4C3=O)on2)cc1"}, {"compound_id": "LB-7809AD95427F", "smiles": "C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-7C3E6CD414D7", "smiles": "C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-27F76383F69B", "smiles": "C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-0E2FDF75BF4F", "smiles": "C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](CCC(=O)O)[C@@H]3C"}, {"compound_id": "LB-D0BAADC663C7", "smiles": "C=CC(=O)N1C[C@@H](n2nc(C#Cc3c(F)cc4c(ncn4C4CC4)c3F)c(C(N)=O)c2NC)C[C@@H]1COC"}, {"compound_id": "LB-6561C68099E1", "smiles": "CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C"}, {"compound_id": "LB-FAD43C2848F9", "smiles": "CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C(C)C)[C@@H](O)CC(=O)O"}, {"compound_id": "LB-DDABD00CCFE4", "smiles": "CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@](C)(NC(=O)OCc1ccccc1)C(F)(F)F)C(C)C)[C@@H](O)CC(=O)O"}, {"compound_id": "LB-C909C8100A72", "smiles": "CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@](C)(NC(=O)OCc1ccccc1)C(F)(F)F)C(C)C)[C@@H](O)CC(=O)O"}, {"compound_id": "LB-1AB1DB61A631", "smiles": "CC(C)CC(=O)N[C@@H](CCSC(F)(F)F)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C"}, {"compound_id": "LB-180A90A34068", "smiles": "CC(C)CC(=O)N[C@H](CCSC(F)(F)F)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C"}, {"compound_id": "LB-DC6021A6BEA5", "smiles": "CCN(C=O)/C=C/[C@@H](C)[C@@H](OC)[C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@H](OC(=O)CCCN)C(C)C)OC)OC(=O)[C@H]1CCCO1"}, {"compound_id": "LB-9FA3AFF61E63", "smiles": "CCC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CC[C@@H](OC(=O)[C@H]1CCCO1)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)C(C)C"}, {"compound_id": "LB-11C213D5DC87", "smiles": "CO[C@@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@H](OC(=O)CCCN)C(C)C)OC)OC(=O)[C@H]1CCCO1)[C@H](C)/C=C/N(C)C=O"}, {"compound_id": "LB-5FC9C6045167", "smiles": "CCC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CC[C@@H](OC(=O)[C@H]1CCCO1)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C=O)CC)C(C)C"}, {"compound_id": "LB-2A16C3EDF30D", "smiles": "COc1cc(C(C)=O)c(OC)cc1CCN.Cl"}, {"compound_id": "LB-9CA65B05FF35", "smiles": "COc1cc(C(=O)C(C)(C)C)c(OC)cc1CCN.Cl"}, {"compound_id": "LB-21FA81EB5E22", "smiles": "COc1cc(N(C(C)C)C(C)C)c(OC)cc1CCN.Cl.Cl"}, {"compound_id": "LB-3457E87508E3", "smiles": "COc1cc(P(C)(C)=O)c(OC)cc1CCN.Cl"}, {"compound_id": "LB-59EE713BE8ED", "smiles": "COc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCN(C)CC3)cc2c1"}, {"compound_id": "LB-ABBA7CBC6CC0", "smiles": "c1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1"}, {"compound_id": "LB-70C8055AC55F", "smiles": "c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1"}, {"compound_id": "LB-BE174FC62448", "smiles": "CN1CCN(C(c2cccnc2)c2nnnn2CCc2ccccc2)CC1"}, {"compound_id": "LB-3227E1394FAD", "smiles": "CN1CCN(C(c2cccnc2)c2nnnn2Cc2ccccc2)CC1"}, {"compound_id": "LB-DC663AC442DB", "smiles": "c1ccc(CCn2nnnc2C(c2cccnc2)N2CCNCC2)cc1"}, {"compound_id": "LB-6F474AB9C59B", "smiles": "CC(C)(C)OC(=O)N1CCN(C(c2cccnc2)c2nnnn2Cc2ccccc2)CC1"}, {"compound_id": "LB-02F21C9C334C", "smiles": "c1ccc(Cn2nnnc2C(c2cccnc2)N2CCNCC2)cc1"}, {"compound_id": "LB-20CE9F9736B2", "smiles": "CN1CCN(C(c2ccccn2)c2nnnn2CCc2ccccc2)CC1"}, {"compound_id": "LB-6C4F607D79B9", "smiles": "CN1CCN(C(c2ccccn2)c2nnnn2Cc2ccccc2)CC1"}, {"compound_id": "LB-41F2B52BE947", "smiles": "CN1CCN(C(c2ccncc2)c2nnnn2Cc2ccccc2)CC1"}, {"compound_id": "LB-67653F12AD0B", "smiles": "CN1CCN(C(c2ccc(F)nc2)c2nnnn2CCc2ccccc2)CC1"}, {"compound_id": "LB-860F21FF6398", "smiles": "CN1CCN(C(c2ccc(O)nc2)c2nnnn2CCc2ccccc2)CC1"}, {"compound_id": "LB-486795FB61AF", "smiles": "CN1CCN(C(c2ccc(O)nc2)c2nnnn2Cc2ccccc2)CC1"}, {"compound_id": "LB-E56860C78B09", "smiles": "CN1CCN(C(c2ccc(Br)nc2)c2nnnn2Cc2ccccc2)CC1"}, {"compound_id": "LB-B5D650D59375", "smiles": "Clc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1"}, {"compound_id": "LB-FD8B9BAFA645", "smiles": "CN1CCN(C(c2ccc(Cl)cc2)c2nnnn2CCc2ccccc2)CC1"}, {"compound_id": "LB-0747565715BC", "smiles": "CN1CCN(C(c2ccc(Cl)cc2)c2nnnn2Cc2ccccc2)CC1"}, {"compound_id": "LB-A772B0513543", "smiles": "Fc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1"}, {"compound_id": "LB-4492F3575F0A", "smiles": "CN1CCN(C(c2ccc(F)cc2)c2nnnn2CCc2ccccc2)CC1"}, {"compound_id": "LB-548C5B79563D", "smiles": "COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1"}, {"compound_id": "LB-7A707EA71734", "smiles": "CN1CCN(C(c2ccc(O)cc2)c2nnnn2CCc2ccccc2)CC1"}, {"compound_id": "LB-3BEB7F2DA9C8", "smiles": "COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1"}, {"compound_id": "LB-E1458FF5922E", "smiles": "COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1OC"}, {"compound_id": "LB-10E428F16A3C", "smiles": "COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1OC"}, {"compound_id": "LB-4E634AE95BC2", "smiles": "COc1cc(OC)cc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)c1"}, {"compound_id": "LB-6EBDF46D5FD6", "smiles": "COc1cc(OC)cc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)c1"}, {"compound_id": "LB-078E42C5AA2A", "smiles": "N#Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1"}, {"compound_id": "LB-2762998A2935", "smiles": "CN1CCN(C(c2ccc(C#N)cc2)c2nnnn2CCc2ccccc2)CC1"}, {"compound_id": "LB-6CDCFC1D7993", "smiles": "CN1CCN(C(c2ccc(C#N)cc2)c2nnnn2Cc2ccccc2)CC1"}, {"compound_id": "LB-32EF9024DDDE", "smiles": "FC(F)(F)c1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1"}, {"compound_id": "LB-134AEC08DC75", "smiles": "FC(F)(F)c1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1"}, {"compound_id": "LB-78A0F44BB813", "smiles": "CN1CCN(C(C(=O)NCCc2ccccc2)c2cccnc2)CC1"}, {"compound_id": "LB-1C7D40A57839", "smiles": "CN1CCN(C(C(=O)NCc2ccccc2)c2cccnc2)CC1"}, {"compound_id": "LB-17D3A5E66820", "smiles": "CN1CCN(C(C(=O)NCCc2ccc(Cl)cc2)c2cccnc2)CC1"}, {"compound_id": "LB-D9BEC2747790", "smiles": "CN1CCN(C(C(=O)NCCc2ccc(F)cc2)c2cccnc2)CC1"}, {"compound_id": "LB-A6F1E0C71C5E", "smiles": "CN1CCN(C(C(=O)NCc2ccc(F)cc2)c2cccnc2)CC1"}, {"compound_id": "LB-B1F8CB3AF706", "smiles": "COc1ccc(CNC(=O)C(c2cccnc2)N2CCN(C)CC2)cc1"}, {"compound_id": "LB-52D7BC07BA15", "smiles": "CN1CCN(C(C(=O)NCc2ccccc2)c2ccc(C#N)cc2)CC1"}, {"compound_id": "LB-B0B59AF401B4", "smiles": "CN1CCN(C(C(=O)NCCc2ccc(F)cc2)c2ccc(C#N)cc2)CC1"}, {"compound_id": "LB-7131CE999F40", "smiles": "CN1CCN(C(C(=O)NCc2ccc(F)cc2)c2ccc(C#N)cc2)CC1"}, {"compound_id": "LB-7C5534E91700", "smiles": "COc1ccc(CNC(=O)C(c2ccc(C#N)cc2)N2CCN(C)CC2)cc1"}, {"compound_id": "LB-0D39ADCA6855", "smiles": "COc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCN(C4CCCCC4)CC3)cc2c1"}, {"compound_id": "LB-D28FE27A33A8", "smiles": "COc1ccc2[nH]c(=O)c(C(c3nnnn3CCc3ccccc3)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1"}, {"compound_id": "LB-22D9CA346B23", "smiles": "O=C1c2cccc3c(Sc4ccc([N+](=O)[O-])cc4)ccc(c23)C(=O)N1CCN1CCCC1"}, {"compound_id": "LB-C53CFEA18997", "smiles": "CN1C(=O)/C(=C2/C(=O)N(CCN3CCCC3)c3ccccc32)c2ccccc21.Cl"}, {"compound_id": "LB-1E243DAD77BB", "smiles": "CN1C(=O)/C(=C2/C(=O)N(CCN)c3ccccc32)c2cc(Br)ccc21.Cl"}, {"compound_id": "LB-0B572A14EF03", "smiles": "CN1C(=O)/C(=C2/C(=O)N(CCCN)c3ccc(Br)cc32)c2ccccc21.Cl"}, {"compound_id": "LB-6DC4D6D6D1DF", "smiles": "O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1"}, {"compound_id": "LB-EEAA714A6200", "smiles": "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O"}, {"compound_id": "LB-487886AEBD06", "smiles": "N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O"}, {"compound_id": "LB-2D43C25142F5", "smiles": "CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1"}, {"compound_id": "LB-59E6F1ABD0C8", "smiles": "Cn1c2c(c3ccccc31)CN(Cc1ccc(C(=O)NO)cc1)CC2"}, {"compound_id": "LB-B68DF67233F2", "smiles": "O=C(NO)c1ccc(CNC(=O)N2CCc3c(c4ccccc4n3Cc3ccccc3)C2)cc1"}, {"compound_id": "LB-10737D25F55E", "smiles": "CCN(CC)Cc1ccc(Cn2c3c(c4ccccc42)CN(C(=O)NCc2ccc(C(=O)NO)cc2)CC3)cc1"}, {"compound_id": "LB-5DDEFBA067FA", "smiles": "Cn1c2c(c3ccccc31)CN(C(=O)OCc1ccc(C(=O)NO)cc1)CC2"}, {"compound_id": "LB-8D183E09A7BF", "smiles": "O=C(NO)c1ccc(NC(=O)N2CCc3c(c4ccccc4n3Cc3ccccc3)C2)cc1"}, {"compound_id": "LB-5387D4BB8540", "smiles": "CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccc(C(=O)NO)cc1)c1ccccc12"}, {"compound_id": "LB-2D5DE1BC9A15", "smiles": "CC1(C)c2ccccc2N(Cc2ccc(C(=O)NO)cc2)C1c1cccnc1"}, {"compound_id": "LB-08F7C55F8F74", "smiles": "CN1CC2(CCN(Cc3ccc(C(=O)NO)cc3)CC2)c2ccccc21"}, {"compound_id": "LB-0C4477FDE11E", "smiles": "O=C(NO)c1ccc(COC(=O)N2CCC3(CC2)CN(Cc2ccccc2)c2ccccc23)cc1"}, {"compound_id": "LB-2995DD6159F9", "smiles": "CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1"}, {"compound_id": "LB-892D497C43ED", "smiles": "CC(/C=C/C(=O)NO)=C\\[C@@H](C)C(=O)c1ccc(N(C)C)cc1"}, {"compound_id": "LB-DBF67D3761C1", "smiles": "COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(OCCCCOC(=O)C5=CCc6cc(OC)ccc6N5C)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@H](O)[C@H]1O"}, {"compound_id": "LB-185875D3F4D1", "smiles": "Cn1ccnc1C(=O)c1ccc(NC(=O)CC(C(=O)O)c2ccc(C(F)(F)F)cc2)cc1"}, {"compound_id": "LB-EBFB6861AA06", "smiles": "CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)NC4CC4)cc3)CC2)cc1"}, {"compound_id": "LB-94B0057E59BE", "smiles": "O=C(NC1CC1)c1ccc(CN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1"}, {"compound_id": "LB-40D59B056A3B", "smiles": "O=C(NC1CC1)c1ccc(CN2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1"}, {"compound_id": "LB-3396C7FFC891", "smiles": "CCCCCCCCS(=O)(=O)N1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1"}, {"compound_id": "LB-1B64E96376DA", "smiles": "O=C(NC1CC1)c1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1"}, {"compound_id": "LB-ABC1B950AF18", "smiles": "O=C(NC1CC1)c1ccc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1"}, {"compound_id": "LB-89045EB361AD", "smiles": "CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)NC4CC4)cc3)CC2)cc1"}, {"compound_id": "LB-DED5C036C0CD", "smiles": "COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)NC4CC4)cc3)CC2)cc1"}, {"compound_id": "LB-D5C3D7069579", "smiles": "COc1cccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)NC4CC4)cc3)CC2)c1"}, {"compound_id": "LB-7B3767E9B08F", "smiles": "O=C(NCc1cn(-c2cc3ccccc3oc2=O)nn1)c1ccccc1"}, {"compound_id": "LB-24D415EE9497", "smiles": "O=C(NCc1cn(-c2cc3ccccc3oc2=O)nn1)c1ccccc1O"}, {"compound_id": "LB-F4F10A5F3961", "smiles": "O=C(Cc1ccccc1[N+](=O)[O-])NCc1cn(-c2cc3ccccc3oc2=O)nn1"}, {"compound_id": "LB-5B096A1FD6AB", "smiles": "COc1cc(C(=O)NCc2cn(-c3cc4ccccc4oc3=O)nn2)ccc1O"}, {"compound_id": "LB-2ACDA40A78C3", "smiles": "COc1cc(/C=C/C(=O)NCc2cn(-c3cc4ccccc4oc3=O)nn2)ccc1O"}, {"compound_id": "LB-931B820BBA94", "smiles": "O=C(OCc1cn(-c2cc3ccccc3oc2=O)nn1)c1ccccc1"}, {"compound_id": "LB-8C4A8F59DA1E", "smiles": "O=C(OCc1cn(-c2cc3ccccc3oc2=O)nn1)c1ccccc1O"}, {"compound_id": "LB-C9C564BCBE4D", "smiles": "O=C(Cc1ccccc1[N+](=O)[O-])OCc1cn(-c2cc3ccccc3oc2=O)nn1"}, {"compound_id": "LB-75AA41F40042", "smiles": "COc1cc(C(=O)OCc2cn(-c3cc4ccccc4oc3=O)nn2)ccc1O"}, {"compound_id": "LB-1D1EBDBD60FD", "smiles": "COc1cc(/C=C/C(=O)OCc2cn(-c3cc4ccccc4oc3=O)nn2)ccc1O"}, {"compound_id": "LB-05FD96E37BC5", "smiles": "O=C(NCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1"}, {"compound_id": "LB-7A79D30DFE2E", "smiles": "O=C(Cc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1"}, {"compound_id": "LB-66D7598B9303", "smiles": "COc1cc(C(=O)NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O"}, {"compound_id": "LB-F64822D84A80", "smiles": "COc1cc(/C=C/C(=O)NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O"}, {"compound_id": "LB-DE08BCBD1B3A", "smiles": "O=C(OCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1"}, {"compound_id": "LB-7A063D11185D", "smiles": "O=C(OCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1O"}, {"compound_id": "LB-C7503915769A", "smiles": "O=C(Cc1ccccc1[N+](=O)[O-])OCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1"}, {"compound_id": "LB-93DD1FE0982B", "smiles": "COc1cc(C(=O)OCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O"}, {"compound_id": "LB-5762D1607FF2", "smiles": "COc1cc(/C=C/C(=O)OCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccc1O"}, {"compound_id": "LB-2F182B8A4011", "smiles": "COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2OC(=O)NCC(=O)O)OC(C)(C)CC4)cc1"}, {"compound_id": "LB-823A19812243", "smiles": "COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2OC(=O)N[C@@H](CC(C)C)C(=O)O)OC(C)(C)CC4)cc1"}, {"compound_id": "LB-DB20D1558FBE", "smiles": "CC[C@H](C)[C@H](NC(=O)Oc1c(-c2ccc(OC)cc2)oc2c3c(cc(O)c2c1=O)OC(C)(C)CC3)C(=O)O"}, {"compound_id": "LB-E81ED2FD71EE", "smiles": "COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2OC(=O)N[C@H](C(=O)O)C(C)C)OC(C)(C)CC4)cc1"}, {"compound_id": "LB-C08FD5B53CF7", "smiles": "COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2OC(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC(C)(C)CC4)cc1"}, {"compound_id": "LB-BCC22E56CE2C", "smiles": "COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O)OC(C)(C)CC4)cc1"}, {"compound_id": "LB-DD389FB7FB04", "smiles": "COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCO"}, {"compound_id": "LB-A6753F615B46", "smiles": "COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1"}, {"compound_id": "LB-247190C244C9", "smiles": "COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@H](O)C1"}, {"compound_id": "LB-66CD4D353F76", "smiles": "COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](O)C1"}, {"compound_id": "LB-1F6A75D558A3", "smiles": "COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@H](F)C1"}, {"compound_id": "LB-4615390BF8C1", "smiles": "COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](F)C1"}, {"compound_id": "LB-CB4D8A68CAD7", "smiles": "COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(O)C1"}, {"compound_id": "LB-E912CFB15AF3", "smiles": "COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCOCC1"}, {"compound_id": "LB-7F28C26370D0", "smiles": "COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)CCO"}, {"compound_id": "LB-ABA9A2E47DCA", "smiles": "O=C(NCCc1ccc(F)cc1)c1c[nH]c2c([N+](=O)[O-])cc(C(F)(F)F)cc2c1=O"}, {"compound_id": "LB-B3FDD3A3D79A", "smiles": "COc1ccc2nc(NC(=O)Nc3ccc(O)c(C(F)(F)F)c3)sc2c1"}, {"compound_id": "LB-1DA0E8621CAB", "smiles": "COc1ccc2nc(NC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)sc2c1"}, {"compound_id": "LB-F12ED19C8C48", "smiles": "CN(C)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"}, {"compound_id": "LB-86E0EE2FC69E", "smiles": "CC(=O)Nc1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"}, {"compound_id": "LB-7195812890E6", "smiles": "CCOC(=O)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"}, {"compound_id": "LB-AFAA4125AD8B", "smiles": "O=C(Nc1ccc(O)c(Cl)c1)Nc1nc2ccc(C(=O)O)cc2s1"}, {"compound_id": "LB-DB87FE7795CB", "smiles": "NC(=O)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"}, {"compound_id": "LB-CB8E001D8687", "smiles": "CN(C)C(=O)c1ccc2nc(NC(=O)Nc3ccc(O)c(Cl)c3)sc2c1"}, {"compound_id": "LB-C61A4BC13B52", "smiles": "Oc1ccc(/N=C/c2nc3ccccc3s2)cc1Cl"}, {"compound_id": "LB-39C4672DB056", "smiles": "Oc1ccc(NCc2nc3ccccc3s2)cc1Cl"}, {"compound_id": "LB-B4B2B5A6861B", "smiles": "COc1ccc2nc(/N=C/c3ccc(O)c(Cl)c3)sc2c1"}, {"compound_id": "LB-A728182AE958", "smiles": "COc1ccc2nc(NCc3ccc(O)c(Cl)c3)sc2c1"}, {"compound_id": "LB-33DB82CA7FDC", "smiles": "Oc1ccc(CNCc2nc3ccccc3s2)cc1Cl"}, {"compound_id": "LB-A98A7335B783", "smiles": "Oc1ccc(CNCc2nc3ccccc3o2)cc1Cl"}, {"compound_id": "LB-125BAE0E02BE", "smiles": "Oc1ccc(CNCc2cc3ccccc3[nH]2)cc1Cl"}, {"compound_id": "LB-6436D122B9A3", "smiles": "COc1cc(-n2ncc3ccc(-c4ccc(C)nc4)cc32)cc(OC)c1OC.Cl"}, {"compound_id": "LB-62CB79A4220A", "smiles": "COc1cc(-n2ncc3ccc(-c4cccc5[nH]ccc45)cc32)cc(OC)c1OC"}, {"compound_id": "LB-A23E64C950A2", "smiles": "COc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)n[nH]c2c1"}, {"compound_id": "LB-2DC130F6BF39", "smiles": "CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)CC1"}, {"compound_id": "LB-9E1B9B8072FC", "smiles": "CN1CCCC(Oc2nc3ccccc3n2-c2ccccc2)C1"}, {"compound_id": "LB-D31F952718A4", "smiles": "CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)C1"}, {"compound_id": "LB-E37B12D90DF0", "smiles": "CN1CC(Oc2nc3ccccc3n2-c2ccccc2)C1"}, {"compound_id": "LB-3D1D3603F78D", "smiles": "c1ccc(-n2c(O[C@H]3CN4CCC3CC4)nc3ccccc32)cc1"}, {"compound_id": "LB-1C19DF2B43D1", "smiles": "CN1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3ccccc3n1-c1ccccc1)C2"}, {"compound_id": "LB-1EC1142086D1", "smiles": "CN1[C@@H]2CC[C@H]1C[C@H](Oc1nc3ccccc3n1-c1ccccc1)C2"}, {"compound_id": "LB-0605AA89163B", "smiles": "CN1[C@@H]2C[C@@H](Oc3nc4ccccc4n3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12"}, {"compound_id": "LB-6D78B9F4B00E", "smiles": "CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)CC1"}, {"compound_id": "LB-72DB0516B1D6", "smiles": "CN1CCCC(OC(=O)N(c2ccccc2)c2ccccc2)C1"}, {"compound_id": "LB-CB816005F14B", "smiles": "CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)C1"}, {"compound_id": "LB-B9E589ADCFAA", "smiles": "CN1CC(OC(=O)N(c2ccccc2)c2ccccc2)C1"}, {"compound_id": "LB-97C7286CF649", "smiles": "CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)N(c1ccccc1)c1ccccc1)C2"}, {"compound_id": "LB-58CE3B33A655", "smiles": "CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)N(c1ccccc1)c1ccccc1)C2"}, {"compound_id": "LB-EB90703475C1", "smiles": "CN1[C@@H]2C[C@@H]3C[C@H]1C(O3)C2OC(=O)N(c1ccccc1)c1ccccc1"}, {"compound_id": "LB-C4F47A0D6A3D", "smiles": "C[C@@H](/C=C/[N+](=O)[O-])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1"}, {"compound_id": "LB-329BF8F45399", "smiles": "C[C@@H](/C=C/[N+](=O)[O-])NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1"}, {"compound_id": "LB-C1F94144EDFD", "smiles": "N#Cc1ccc(Nc2nccc(Oc3ccc4ccccc4c3)n2)cc1"}, {"compound_id": "LB-1DC6A64F5950", "smiles": "NC(=O)c1cccc(-c2cc(-c3cccnc3O[C@H]3CC[C@@H](O)CC3)on2)n1"}, {"compound_id": "LB-51B3ADCA5E40", "smiles": "NC(=O)c1cccc(-c2cc(-c3ccc(N)nc3O[C@H]3CC[C@@H](O)CC3)on2)n1"}, {"compound_id": "LB-67A9F23EC9A0", "smiles": "COc1ccc(-c2cc(-c3cccc(C(N)=O)n3)no2)c(O[C@H]2CC[C@@H](O)CC2)n1"}, {"compound_id": "LB-F8B922E430D0", "smiles": "CC(=O)Nc1ccc(-c2cc(-c3cccc(C(N)=O)n3)no2)c(O[C@H]2CC[C@@H](O)CC2)n1"}, {"compound_id": "LB-EB5C66FD42C8", "smiles": "CNC(=O)CNc1ccc(-c2cc(-c3cccc(C(N)=O)n3)no2)c(O[C@H]2CC[C@@H](O)CC2)n1"}, {"compound_id": "LB-9D65DA8F24C8", "smiles": "CN(C)C(=O)CNc1ccc(-c2cc(-c3cccc(C(N)=O)n3)no2)c(O[C@H]2CC[C@@H](O)CC2)n1"}, {"compound_id": "LB-91F095DB3A37", "smiles": "NC(=O)c1cccc(-c2cc(-c3ccc(NCC(=O)N4CCS(=O)(=O)CC4)nc3O[C@H]3CC[C@@H](O)CC3)on2)n1"}, {"compound_id": "LB-49A1686137D2", "smiles": "CN(C)C(=O)c1ccc(-c2cc(-c3cccc(C(N)=O)n3)no2)c(O[C@H]2CC[C@@H](O)CC2)n1"}, {"compound_id": "LB-5AD4AE91A8B3", "smiles": "CN(C)C(=O)c1ccc(-c2cc(-c3cccc(C(N)=O)c3)no2)c(O[C@H]2CC[C@@H](O)CC2)n1"}, {"compound_id": "LB-FF1E4720FC7D", "smiles": "CN(C)C(=O)c1ccc(-c2cc(-c3cccc(C(N)=O)c3)no2)c(O[C@H]2CC[C@@H](O)CC2)c1"}, {"compound_id": "LB-2634FDF944FC", "smiles": "CN1Cc2cc(-c3cc(-c4cccc(C(N)=O)c4)no3)c(O[C@H]3CC[C@@H](O)CC3)cc2C1=O"}, {"compound_id": "LB-B5D23427A148", "smiles": "COc1ccc(/C=C/C(=O)N2C[C@@H](NC(=O)c3cccnc3)C[C@H]2C(=O)NO)cc1OC"}, {"compound_id": "LB-05C0206BFE1A", "smiles": "CCOC(=O)C(c1ccccc1)N(C)C1CCN(Cc2ccccc2)CC1"}, {"compound_id": "LB-FFE7129BB904", "smiles": "N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OCCCN3CCN(C(=O)CCCc4ccc([211At])cc4)CC3)cc12"}, {"compound_id": "LB-9C1A94028794", "smiles": "N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OCCCN3CCN(C(=O)c4ccc([211At])cc4)CC3)cc12"}, {"compound_id": "LB-24C21E88AD69", "smiles": "N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OCCCN3CCN(C(=O)c4ccc([131I])cc4)CC3)cc12"}, {"compound_id": "LB-597EEFC29BCE", "smiles": "N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(OCCCN3CCN(C(=O)CCCc4ccc([131I])cc4)CC3)cc12"}, {"compound_id": "LB-71522FD22EFA", "smiles": "Nc1nc(N)c(OCCCOc2ccccc2CCC(=O)O)c(C2CCCCC2)n1"}, {"compound_id": "LB-FE86CBAFA170", "smiles": "[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nnn(C)n2)c1OC"}, {"compound_id": "LB-B288914401BA", "smiles": "CN(c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1)C1CCNCC1"}, {"compound_id": "LB-975D499B5C91", "smiles": "O=C1[C@H](Cc2cnc[nH]2)N2C(=O)CCN(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc2ccccc12"}, {"compound_id": "LB-86F41BDBD943", "smiles": "O=C1S/C(=C\\c2c[nH]c3ccccc23)C(=O)N1CNc1nc(-c2ccccc2)cs1"}, {"compound_id": "LB-907C7B67AF59", "smiles": "O=C1S/C(=C\\c2ccc(-c3ccccc3)cc2)C(=O)N1CNc1nc(-c2ccccc2)cs1"}, {"compound_id": "LB-E69FF7B3CA59", "smiles": "C/C=C1\\SC(=O)N(CNc2nc(-c3cc(Cl)cs3)c(Nc3ccc(S(N)(=O)=O)cc3)s2)C1=O"}, {"compound_id": "LB-EF4EEA4E70CF", "smiles": "COc1cc(/C=C/C(=O)Nc2ccc3sc(NCN4C(=O)CSC4=O)nc3c2)ccc1O"}, {"compound_id": "LB-21A8EA4832A2", "smiles": "CCC(=O)OCC(C)(NCc1ccccc1)P(=O)(OC)OC"}, {"compound_id": "LB-3237A88A7D81", "smiles": "CCC(=O)OCC(C)(N[C@@H](C)c1ccccc1)P(=O)(OC)OC"}, {"compound_id": "LB-0F219C01F153", "smiles": "COP(=O)(OC)C(C)(COC(=O)c1ccccc1)NCc1ccccc1"}, {"compound_id": "LB-F594D49E4AF0", "smiles": "COP(=O)(OC)C(C)(COC(=O)c1ccccc1)N[C@@H](C)c1ccccc1"}, {"compound_id": "LB-5260939B334A", "smiles": "COc1ccc2cc([C@H](C)C(=O)OCC(C)(NCc3ccccc3)P(=O)(OC)OC)ccc2c1"}, {"compound_id": "LB-1072D5D1A64F", "smiles": "COc1ccc2cc([C@H](C)C(=O)OCC(C)(N[C@@H](C)c3ccccc3)P(=O)(OC)OC)ccc2c1"}, {"compound_id": "LB-6FCFF01ACC78", "smiles": "Cc1nn(-c2cccnc2)c(C)c1-c1cc(N2CC3CCC(C2)O3)nc2c(-c3ccn[nH]3)cnn12.O=C(O)/C=C/C(=O)O"}, {"compound_id": "LB-70FDE180B9F4", "smiles": "Cn1nnc(CN(Cc2ccc(N)cc2)C(=O)NCC(=O)N2CCCC2c2ccccc2Br)n1"}, {"compound_id": "LB-5617CD16BC79", "smiles": "CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)N(Cc1ccc2c(c1)[C@@]1(C)C[C@@](C)(N2)[C@H](O)CO1)Cc1nnn(C)n1"}, {"compound_id": "LB-3936EA2C1132", "smiles": "Cn1nnc(CN(Cc2ccc(N)c(Cl)c2)C(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2Br)n1"}, {"compound_id": "LB-49AA8CB0D4FB", "smiles": "CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)N(Cc1ccc(N)c(Cl)c1)Cc1nnn(C)n1"}, {"compound_id": "LB-218399F17270", "smiles": "CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)N(Cc1cnc(N)nc1)Cc1ncc(C)s1"}, {"compound_id": "LB-D3BC5143451A", "smiles": "CN(Cc1ccc(C(=O)O)cc1)C(=O)C1=Cc2ccc(F)cc2OC1"}, {"compound_id": "LB-63E0EE8E4630", "smiles": "Cc1cc(C)c2cc(C(=O)NCc3ccc(NS(C)(=O)=O)cc3)[nH]c2c1"}, {"compound_id": "LB-20105C00AC37", "smiles": "CC(C)c1ccc2cc(C(=O)NCCCn3cccn3)[nH]c2c1"}, {"compound_id": "LB-34582F04B9DA", "smiles": "Cc1ccc2[nH]c(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2c1"}, {"compound_id": "LB-D33A16D9EF3C", "smiles": "COc1ccnc(OCCNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)c1"}, {"compound_id": "LB-B6F6A490D1A7", "smiles": "O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCCOc2cc(F)ccn2)CC1"}, {"compound_id": "LB-9C21B3AFFF0E", "smiles": "Br.O=C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"}, {"compound_id": "LB-108147A424EF", "smiles": "Br.O=C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"}, {"compound_id": "LB-1DEAE22C0AB4", "smiles": "Br.O=C(CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"}, {"compound_id": "LB-D1F8A76029EF", "smiles": "Br.O=C(CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"}, {"compound_id": "LB-403B3B1EB595", "smiles": "CC(=O)NCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"}, {"compound_id": "LB-65BF0685037B", "smiles": "[2H]C([2H])([2H])NC1=NC(=O)[C@]2(CCc3ncccc32)c2cc(C(F)(F)F)ccc21"}, {"compound_id": "LB-D15483FCE2F7", "smiles": "[2H]C([2H])([2H])NC1=NC(=O)[C@]2(CCc3ncccc32)c2cc(C(C)(F)F)ccc21"}, {"compound_id": "LB-53D8A3AE4E2F", "smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O"}, {"compound_id": "LB-90D51641134E", "smiles": "CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1"}, {"compound_id": "LB-6086FB01889E", "smiles": "O=C(Nc1cc(F)c(F)c(F)c1)c1cc(S(=O)(=O)NC2CCCC2)cc2c1OCCO2"}, {"compound_id": "LB-FFB472FB4341", "smiles": "COc1cc(N2CCN(CC3CCN(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"}, {"compound_id": "LB-B64A03B66284", "smiles": "COc1cc(N2CCN(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"}, {"compound_id": "LB-D992D99B8373", "smiles": "COc1cc(N2CCC(N3CCN(CC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"}, {"compound_id": "LB-7C3F215DAD5E", "smiles": "COc1cc(N2CCC(N3CCN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"}, {"compound_id": "LB-6093AD5546CC", "smiles": "COc1cc(N2CCN(CC3CN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)C3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"}, {"compound_id": "LB-4B269E92610B", "smiles": "COc1cc(N2CCC(N3CCN(CC4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"}, {"compound_id": "LB-9EE12493C6B1", "smiles": "O=c1c(F)cn(C2CCCO2)c(=O)n1CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"}, {"compound_id": "LB-0539FC6BB020", "smiles": "O=c1c(F)cn(C2CCCO2)c(=O)n1CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"}, {"compound_id": "LB-2F4747E42F99", "smiles": "O=c1c(F)cn(C2CCCO2)c(=O)n1CCCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"}, {"compound_id": "LB-A3FDB7261621", "smiles": "O=C1CCCc2cc(C(=O)CSc3nc(-c4ccccc4)cc(=O)[nH]3)ccc2N1"}, {"compound_id": "LB-90B1A6E19531", "smiles": "Cn1cnnc1SCC(=O)c1ccc2c(c1)CCCC(=O)N2"}, {"compound_id": "LB-F3C5699B07F3", "smiles": "CCCc1cc(=O)[nH]c(SCC(=O)c2ccc3c(c2)CCCC(=O)N3)n1"}, {"compound_id": "LB-6C09A1B10071", "smiles": "Cl.O=S(=O)(c1ccccc1)n1ncc2cc(-n3cc(CN[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nn3)ccc21"}, {"compound_id": "LB-EEF787709779", "smiles": "CC[n+]1c(/C=C/c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)s2)sc2ccccc21.[Br-]"}, {"compound_id": "LB-CB5F154D8E48", "smiles": "CC[n+]1c(/C=C/c2ccc(-c3ccc(N(c4ccc(OCCC[N+](C)(C)C)cc4)c4ccc(OCCC[N+](C)(C)C)cc4)cc3)s2)sc2ccccc21.[Br-].[Br-].[Br-]"}, {"compound_id": "LB-8227617D68CD", "smiles": "C#CCC[n+]1c(/C=C/c2ccc(-c3ccc(N(c4ccc(OCCC[N+](C)(C)C)cc4)c4ccc(OCCC[N+](C)(C)C)cc4)cc3)s2)sc2ccccc21.[Br-].[Br-].[Br-]"}, {"compound_id": "LB-609259E66FA4", "smiles": "CC1(C)C(/C=C/C=C/C=C/C=C2/N(Cc3ccc(C(=O)O)cc3)c3ccc4ccccc4c3C2(C)C)=[N+](Cc2ccc(C(=O)O)cc2)c2ccc3ccccc3c21.[Br-]"}, {"compound_id": "LB-3A69AD573FA9", "smiles": "CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCCOc3ccc(C(=O)O)cc3)c3ccc4ccccc4c3C2(C)C)=[N+](CCCOc2ccc(C(=O)O)cc2)c2ccc3ccccc3c21.[Br-]"}, {"compound_id": "LB-C78350D5CA3E", "smiles": "COC(=O)C(C)NC(=O)CCN1/C(=C/C=C2\\CCCC(/C=C/C3=[N+](CCC(=O)NC(C)C(=O)OC)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.[Br-]"}, {"compound_id": "LB-05ABE0624E82", "smiles": "COC(=O)CCC(=O)CNC(=O)c1ccc(CN2/C(=C/C=C3\\CCCC(/C=C/C4=[N+](Cc5ccc(C(=O)NCC(=O)CCC(=O)OC)cc5)c5ccccc5C4(C)C)=C3Cl)C(C)(C)c3ccccc32)cc1.[Br-]"}, {"compound_id": "LB-6D530C6E883D", "smiles": "Cc1ccc2c(c1)C(C)(C)C(/C=C/C1=C(Cl)/C(=C/C=C3/N(Cc4ccc(C(=O)O)cc4)c4ccc(C)cc4C3(C)C)CCC1)=[N+]2Cc1ccc(C(=O)O)cc1.[Br-]"}, {"compound_id": "LB-2C352A73476C", "smiles": "Cc1ccc2c(c1)C(C)(C)C(/C=C/C1=C(Cl)/C(=C/C=C3/N(CCCOc4ccc(C(=O)O)cc4)c4ccc(C)cc4C3(C)C)CCC1)=[N+]2CCCOc1ccc(C(=O)O)cc1.[Br-]"}, {"compound_id": "LB-003E39001B4D", "smiles": "CC(C)(C)OC(=O)Nc1ccc2c(c1)C(C)(C)C(/C=C/C1=C(Cl)/C(=C/C=C3/N(Cc4ccc(C(=O)O)cc4)c4ccc(NC(=O)OC(C)(C)C)cc4C3(C)C)CCC1)=[N+]2Cc1ccc(C(=O)O)cc1.[Br-]"}, {"compound_id": "LB-4A0A5ACC5E4D", "smiles": "CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(Cc4ccc(C(=O)O)cc4)c4ccc(N)cc4C3(C)C)CCC2)=[N+](Cc2ccc(C(=O)O)cc2)c2ccc(N)cc21.[Br-]"}, {"compound_id": "LB-1D31D43B5759", "smiles": "COC(=O)CNC(=O)CCN1/C(=C/C=C2\\CCCC(/C=C/C3=[N+](CCC(=O)NCC(=O)OC)c4ccc5ccccc5c4C3(C)C)=C2Cl)C(C)(C)c2c1ccc1ccccc21.[Br-]"}, {"compound_id": "LB-2F5B77B6E2EA", "smiles": "CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCOc4ccccc4C(=O)O)c4ccc5ccccc5c4C3(C)C)CCC2)=[N+](CCOc2ccccc2C(=O)O)c2ccc3ccccc3c21.[Br-]"}, {"compound_id": "LB-F767E45A1342", "smiles": "COC(=O)CNC(=O)c1ccc(CN2/C(=C/C=C3\\CCCC(/C=C/C4=[N+](Cc5ccc(C(=O)NCC(=O)OC)cc5)c5ccc6ccccc6c5C4(C)C)=C3Cl)C(C)(C)c3c2ccc2ccccc32)cc1.[Br-]"}, {"compound_id": "LB-8729CCE8C0C4", "smiles": "CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCOc4ccc(C(=O)O)cc4)c4ccc5ccccc5c4C3(C)C)CCC2)=[N+](CCCOc2ccc(C(=O)O)cc2)c2ccc3ccccc3c21.[Br-]"}, {"compound_id": "LB-DA8C75D27852", "smiles": "COC(=O)CNC(=O)c1ccc(OCCCN2/C(=C/C=C3\\CCCC(/C=C/C4=[N+](CCCOc5ccc(C(=O)NCC(=O)OC)cc5)c5ccc6ccccc6c5C4(C)C)=C3Cl)C(C)(C)c3c2ccc2ccccc32)cc1.[Br-]"}, {"compound_id": "LB-41FFA374C550", "smiles": "COC(=O)CCC(=O)CNC(=O)c1ccc(CN2/C(=C/C=C3\\CCCC(/C=C/C4=[N+](Cc5ccc(C(=O)NCC(=O)CCC(=O)OC)cc5)c5ccc6ccccc6c5C4(C)C)=C3Cl)C(C)(C)c3c2ccc2ccccc32)cc1.[Br-]"}, {"compound_id": "LB-7962B8073666", "smiles": "CCN1/C(=C/C=C2\\CCCC(/C=C/C3=[N+](Cc4ccc(C(=O)O)cc4)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.[Br-]"}, {"compound_id": "LB-E7E0DD9D50C7", "smiles": "CCN1/C(=C/C=C2\\CCCC(/C=C/C3=[N+](CCCOc4ccc(C(=O)O)cc4)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.[Br-]"}, {"compound_id": "LB-A6A88CB2C7F5", "smiles": "CCCN1/C(=C/C=C2\\CCCC(/C=C/C3=[N+](Cc4ccc(C(=O)O)cc4)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.[Br-]"}, {"compound_id": "LB-0CE2316AEBCC", "smiles": "CCCN1/C(=C/C=C2\\CCCC(/C=C/C3=[N+](CCCOc4ccc(C(=O)O)cc4)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21.[Br-]"}, {"compound_id": "LB-261E13081577", "smiles": "CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCCCC(=O)O)c4ccccc4C3(C)C)CCC2)=[N+](CCCOc2ccc(C(=O)O)cc2)c2ccccc21.[Br-]"}, {"compound_id": "LB-F93B2E623D58", "smiles": "COC(=O)CNC(=O)c1ccc(OCCC[N+]2=C(/C=C/C3=C(Cl)/C(=C/C=C4/N(Cc5ccc(C(=O)O)cc5)c5ccccc5C4(C)C)CCC3)C(C)(C)c3ccccc32)cc1.[Br-]"}, {"compound_id": "LB-A8C05B36A7D9", "smiles": "Cc1oc(=O)oc1COC(=O)CC[C@H](NC(=O)c1ccc(CCc2c[nH]c3[nH]c(N)nc(=O)c23)cc1)C(=O)OCc1oc(=O)oc1C"}, {"compound_id": "LB-C78E4379D56F", "smiles": "Cc1oc(=O)oc1COC(=O)CC[C@H](NC(=O)c1ccc(CCc2c[nH]c3[nH]c(N)nc(=O)c23)cc1)C(=O)O"}, {"compound_id": "LB-8DE55058C20E", "smiles": "C[C@H](N)C(=O)NCc1cccc(-n2cc(C(F)(F)F)cc2C(=O)NCc2ccccc2)c1"}, {"compound_id": "LB-DE82F1B2AB4B", "smiles": "CCOC(=O)c1cc(C(=O)NCc2ccccc2CCC(F)(F)F)n(-c2cccc(NC(=O)[C@H](C)N)c2)c1"}, {"compound_id": "LB-9E636AF2F763", "smiles": "OC[C@H]1O[C@@H](Oc2ccc(C[n+]3cccc4cccc(O)c43)cc2)[C@H](O)[C@@H](O)[C@@H]1O.[Cl-]"}, {"compound_id": "LB-5CFCD075A1D9", "smiles": "OC[C@H]1O[C@@H](Oc2ccc(COc3cccc4cccnc34)cc2)[C@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-98EC49A1F967", "smiles": "CCc1cnc(N2CCC(COc3ccc(C4=CC[C@H](C(=O)N5CCC[C@@H]5CO)CC4)cc3)CC2)nc1"}, {"compound_id": "LB-925BEAF3D421", "smiles": "O=C(Nc1cnc2ccccc2c1)c1cc2[nH]ccc2cc1Cl"}, {"compound_id": "LB-BD295C146995", "smiles": "CN(C)[C@@H]1CCN(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)cc2)C1"}, {"compound_id": "LB-DBA9318ED269", "smiles": "CCCc1nn(C)c2c(Nc3ccc(O)cc3)nc(-c3ccc([N+](=O)[O-])o3)nc12"}, {"compound_id": "LB-5C7B6378E25C", "smiles": "Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CNCCO)cc2Cl)cccc1-c1cccc(OCCOCCN2CCC(O)C2)c1"}]}
\ No newline at end of file