diff --git "a/data/ld50_test.json" "b/data/ld50_test.json"
new file mode 100644--- /dev/null
+++ "b/data/ld50_test.json"
@@ -0,0 +1 @@
+{"board": "LD50", "n": 1180, "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-03D3E89D1F27", "smiles": "Cl.N=C(N)c1ccc2nc(-c3ccc(N)cc3)sc2c1"}, {"compound_id": "LB-91BC4331749A", "smiles": "Cl.N=C(N)c1ccc(-c2nc3ccc(N)cc3s2)cc1"}, {"compound_id": "LB-EC5D5065B0BB", "smiles": "Cl.Nc1ccc2nc(-c3ccc(C4=NCCN4)cc3)sc2c1"}, {"compound_id": "LB-E4C934E06D90", "smiles": "Cl.Nc1ccc(-c2nc3ccc(C4=NCCN4)cc3s2)cc1"}, {"compound_id": "LB-C24210B2494A", "smiles": "COc1ccc2cc([C@@H](O)[C@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl"}, {"compound_id": "LB-22B1AB54CF68", "smiles": "COc1ccc2cc([C@H](O)[C@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl"}, {"compound_id": "LB-464A0469BF14", "smiles": "COc1ccc2cc([C@H](O)[C@@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl"}, {"compound_id": "LB-79F8A6477DC3", "smiles": "COc1ccc2cc([C@@H](O)[C@@H](C)N3CCN(Cc4ccccc4)CC3)ccc2c1Cl"}, {"compound_id": "LB-FD2561C35AA2", "smiles": "COCc1c(CO)cnc(C)c1O"}, {"compound_id": "LB-516E0E82B667", "smiles": "CC(=O)O[C@H]1O[C@@H](SC2=C(C#N)C(c3ccccc3)C(C#N)=C(N)N2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(=O)O"}, {"compound_id": "LB-0269FEE3043C", "smiles": "CC(=O)O[C@H]1O[C@@H](SC2=C(C#N)C(c3ccc(Br)cc3)C(C#N)=C(N)N2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(=O)O"}, {"compound_id": "LB-1CD495A53403", "smiles": "CC(=O)O[C@H]1O[C@@H](SC2=C(C#N)C(c3ccc([N+](=O)[O-])cc3)C(C#N)=C(N)N2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(=O)O"}, {"compound_id": "LB-051A77EB9A23", "smiles": "COc1ccc(C2C(C#N)=C(N)NC(S[C@@H]3O[C@H](OC(C)=O)[C@@H](OC(=O)O)[C@H](OC(C)=O)[C@H]3OC(C)=O)=C2C#N)cc1"}, {"compound_id": "LB-193A0AC231A1", "smiles": "CC(=O)O[C@H]1O[C@@H](SC2=C(C#N)C(c3ccccc3)C(C#N)=C(N)N2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(=O)O"}, {"compound_id": "LB-77189B6D3FBC", "smiles": "CC(=O)O[C@H]1O[C@@H](SC2=C(C#N)C(c3ccc4ccccc4c3)C(C#N)=C(N)N2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(=O)O"}, {"compound_id": "LB-B74DE2B039C3", "smiles": "COc1ccc(C2C(C#N)=C(N)NC(S[C@@H]3O[C@H](OC(C)=O)[C@H](OC(=O)O)[C@H](OC(C)=O)[C@H]3OC(C)=O)=C2C#N)cc1"}, {"compound_id": "LB-4C69BD78AEE2", "smiles": "CC(=O)O[C@H]1O[C@@H](SC2=C(C#N)C(c3ccccc3)C(C#N)=C(N)N2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O"}, {"compound_id": "LB-29618A3A5697", "smiles": "N#CC1=C(N)NC(S[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)=C(C#N)C1c1ccc2ccccc2c1"}, {"compound_id": "LB-E19BD862B55F", "smiles": "COc1ccc(C2C(C#N)=C(N)NC(S[C@@H]3O[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)=C2C#N)cc1"}, {"compound_id": "LB-1A65698DE774", "smiles": "N#CC1=C(N)NC(S[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)=C(C#N)C1c1ccc2ccccc2c1"}, {"compound_id": "LB-4817A5FD8E79", "smiles": "COc1ccc(C2C(C#N)=C(N)NC(S[C@@H]3O[C@H](O)[C@H](O)[C@H](O)[C@H]3O)=C2C#N)cc1"}, {"compound_id": "LB-ACEB578B90C0", "smiles": "CC(=O)O[C@H]1O[C@@H](Sc2nc(N)c(C#N)c(-c3ccc4ccccc4c3)c2C#N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"}, {"compound_id": "LB-DF173CA21C6F", "smiles": "CC(=O)O[C@H]1O[C@@H](Sc2nc(N)c(C#N)c(-c3ccc(Br)cc3)c2C#N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"}, {"compound_id": "LB-6C7327C935B9", "smiles": "CC(=O)O[C@H]1O[C@@H](Sc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"}, {"compound_id": "LB-40CF39C791FA", "smiles": "CC(=O)O[C@H]1O[C@@H](Sc2nc(N)c(C#N)c(-c3ccc4ccccc4c3)c2C#N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"}, {"compound_id": "LB-86547E38A100", "smiles": "COc1ccc(-c2c(C#N)c(N)nc(S[C@@H]3O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2C#N)cc1"}, {"compound_id": "LB-DE2FCC546881", "smiles": "N#Cc1c(N)nc(S[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)c(C#N)c1-c1ccc2ccccc2c1"}, {"compound_id": "LB-048AE065E53E", "smiles": "N#Cc1c(N)nc(S[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)c(C#N)c1-c1ccc(Br)cc1"}, {"compound_id": "LB-E167E57B16DD", "smiles": "N#Cc1c(N)nc(S[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)c(C#N)c1-c1ccc2ccccc2c1"}, {"compound_id": "LB-C51559A6A999", "smiles": "COc1ccc(-c2c(C#N)c(N)nc(S[C@@H]3O[C@H](O)[C@H](O)[C@H](O)[C@H]3O)c2C#N)cc1"}, {"compound_id": "LB-B827C6A33E7E", "smiles": "O=P([O-])(O)OC1C=C(c2ccccc2F)Nc2cc3c(cc21)OCO3.[Na+]"}, {"compound_id": "LB-CDF8C0120B11", "smiles": "CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3"}, {"compound_id": "LB-9716433F1A6D", "smiles": "COc1ccc2c3c4n(c2c1)[C@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O"}, {"compound_id": "LB-CB3A193944DE", "smiles": "c1nc2nnnn2c2c1CCCC2"}, {"compound_id": "LB-50542D1EDAEB", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)O)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O"}, {"compound_id": "LB-93FC779C1358", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](N)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O"}, {"compound_id": "LB-891C485EBA80", "smiles": "CCCCCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCNC(=O)[C@@H](N)CCCNC(=N)N)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-E81365327D87", "smiles": "CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)O)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O"}, {"compound_id": "LB-939459350144", "smiles": "CC(/C=C/c1ccc(Cl)cc1)=N\\OC(C)C(=O)O"}, {"compound_id": "LB-3C64322DF5B7", "smiles": "CC(/C=C/c1ccccc1)=N\\OC(C)C(N)=O"}, {"compound_id": "LB-4CF9B28E2562", "smiles": "O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]"}, {"compound_id": "LB-C896B5A1DBF6", "smiles": "COc1ccc(-n2c(Nc3nc(-c4ccc(Cl)cc4)cs3)n[nH]c2=S)cc1"}, {"compound_id": "LB-A46DFBB35579", "smiles": "Cc1ccccc1-n1c(Nc2nc(-c3ccc(Br)cc3)cs2)n[nH]c1=S"}, {"compound_id": "LB-52CC154B98E2", "smiles": "CCCCC1OC(=O)c2cc(F)ccc21"}, {"compound_id": "LB-670F1C9713D1", "smiles": "CCCCC1OC(=O)c2ccccc21"}, {"compound_id": "LB-1569951317EB", "smiles": "O=c1oc2ccccc2c(O)c1C1=NN(c2ccccc2)C(c2cccnc2)C1"}, {"compound_id": "LB-8A727DD14FEE", "smiles": "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O"}, {"compound_id": "LB-CC8413BA477B", "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1"}, {"compound_id": "LB-1694F06A263E", "smiles": "O=C(O)CCCCC1CCSS1"}, {"compound_id": "LB-1F56DC42B28C", "smiles": "O=C(CCCCC1CCSS1)Nc1ccc(Cl)cn1"}, {"compound_id": "LB-142FB3C2164E", "smiles": "N#Cc1c(O)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1"}, {"compound_id": "LB-81E7322E6E27", "smiles": "N#Cc1c(Cl)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1"}, {"compound_id": "LB-9A95EE169FCD", "smiles": "N#Cc1c(NN)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1"}, {"compound_id": "LB-26201AF78028", "smiles": "N#Cc1c(Nc2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1"}, {"compound_id": "LB-9E8180CF1BBB", "smiles": "CNc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N"}, {"compound_id": "LB-4573B698537B", "smiles": "CCNc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N"}, {"compound_id": "LB-94674CFA6477", "smiles": "N#Cc1c(Nc2ccncc2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1"}, {"compound_id": "LB-7F12D0CE0C7D", "smiles": "N#Cc1c(Nc2ccccn2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1"}, {"compound_id": "LB-9AE3DF08436F", "smiles": "N#Cc1c(Nc2nccs2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1"}, {"compound_id": "LB-E8736C0C3A8C", "smiles": "N#Cc1c(NNC(N)=S)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1"}, {"compound_id": "LB-EDEAEB52896C", "smiles": "N#Cc1c(NC(N)=S)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1"}, {"compound_id": "LB-EBBAE15E48C8", "smiles": "N#Cc1c(NC(N)=O)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1"}, {"compound_id": "LB-BAC5C0007ABD", "smiles": "N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCNCC1"}, {"compound_id": "LB-6E2B865E1AA1", "smiles": "CN1CCN(c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2C#N)CC1"}, {"compound_id": "LB-2B5008C9DFBE", "smiles": "N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCN(C(=O)c2ccccc2)CC1"}, {"compound_id": "LB-A58B6940A2E0", "smiles": "N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1"}, {"compound_id": "LB-5DDB4FF2DA92", "smiles": "N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCN(CC(=O)c2ccccc2)CC1"}, {"compound_id": "LB-0032754A4291", "smiles": "N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCN(C(=O)Cc2ccccc2)CC1"}, {"compound_id": "LB-45AC41319080", "smiles": "N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCN(S(=O)(=O)c2ccccc2)CC1"}, {"compound_id": "LB-0529EEA2E1E2", "smiles": "Cc1ccc(S(=O)(=O)N2CCN(c3nc(SCc4nc5ccccc5[nH]4)nc(-c4ccccc4)c3C#N)CC2)cc1"}, {"compound_id": "LB-235529DC1F7F", "smiles": "N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1"}, {"compound_id": "LB-4F6054188B57", "smiles": "Cl.N=c1[nH]c(=S)[nH]c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c12"}, {"compound_id": "LB-7B96D9B343BB", "smiles": "Cl.N=c1[nH]c(=O)[nH]c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c12"}, {"compound_id": "LB-E400912252CC", "smiles": "ClCc1nc2ccccc2[nH]1"}, {"compound_id": "LB-97B5CC0FB168", "smiles": "O=c1[nH]nc2n(c1=O)CCN2c1cccc(Cl)c1"}, {"compound_id": "LB-B5824456D5D8", "smiles": "O=C(Nc1cccc(Cl)c1)C(Cl)Cl"}, {"compound_id": "LB-C76FB49B2A16", "smiles": "O=C(Nc1cccc(I)c1)C(Cl)Cl"}, {"compound_id": "LB-8BE09FDB9C2E", "smiles": "Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1"}, {"compound_id": "LB-A5B7C01E536C", "smiles": "Cc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1"}, {"compound_id": "LB-C46262227DEE", "smiles": "Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cc1ccc(Cl)cc1"}, {"compound_id": "LB-46141D18B022", "smiles": "Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(Cl)cc1"}, {"compound_id": "LB-D65344783140", "smiles": "Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccccc1"}, {"compound_id": "LB-9E9805FEA4BD", "smiles": "Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-7E446B4FF0FA", "smiles": "O=C1NN(C(=O)c2ccc(Cl)cc2)C(c2ccccc2)=N/C1=C/c1ccccc1"}, {"compound_id": "LB-FF79EBFA4313", "smiles": "Cc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)c3ccc(C)cc3)NC2=O)cc1"}, {"compound_id": "LB-CF0CBCA9E890", "smiles": "Cc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)Cc3ccc(Cl)cc3)NC2=O)cc1"}, {"compound_id": "LB-A5DBD99DF18D", "smiles": "COc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)c3ccc(C)cc3)NC2=O)cc1"}, {"compound_id": "LB-6C23B794E12D", "smiles": "COc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)c3ccc(Cl)cc3)NC2=O)cc1"}, {"compound_id": "LB-4F18286CEF4F", "smiles": "O=C1NN(C(=O)c2ccccc2Cl)C(c2ccccc2)=N/C1=C/c1ccccc1Cl"}, {"compound_id": "LB-1AFAC33B284F", "smiles": "COc1c(C(=O)O)c(O)c(/N=N/c2ccccc2)c2occc12"}, {"compound_id": "LB-3867E11F2C6A", "smiles": "COc1c(C(=O)O)c(O)c(/N=N/c2ccc(O)c(C(=O)O)c2)c2occc12"}, {"compound_id": "LB-AD13B28A1C90", "smiles": "COc1c(C(=O)O)c(O)c(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2occc12"}, {"compound_id": "LB-583B35027337", "smiles": "COc1c(C(=O)O)c(O)c(N)c2occc12"}, {"compound_id": "LB-F033833D0A65", "smiles": "COc1c(C(=O)O)c(O)c(NS(=O)(=O)c2ccccc2)c2occc12"}, {"compound_id": "LB-EC227125860D", "smiles": "COc1c(C(=O)O)c(O)c(NS(=O)(=O)c2ccc(C)cc2)c2occc12"}, {"compound_id": "LB-34442FCE2DBC", "smiles": "COc1c(C(=O)O)c(O)c(NS(=O)(=O)c2ccc(Cl)cc2)c2occc12"}, {"compound_id": "LB-094B807952FA", "smiles": "COc1c(C(=O)O)c(O)c(S(=O)(=O)Cl)c2occc12"}, {"compound_id": "LB-4C1D4B960D3B", "smiles": "COc1c(C(=O)O)c(O)c(S(N)(=O)=O)c2occc12"}, {"compound_id": "LB-E0615F18C4C6", "smiles": "COc1c(C(=O)O)c(O)c(S(=O)(=O)Nc2ccccc2)c2occc12"}, {"compound_id": "LB-C0BFEBB4C4C8", "smiles": "COc1c(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(C)cc2)c2occc12"}, {"compound_id": "LB-5F7C2C6E971C", "smiles": "COc1c(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(Cl)cc2)c2occc12"}, {"compound_id": "LB-8B54C6DA1557", "smiles": "COc1c(C(=O)O)c(O)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c2occc12"}, {"compound_id": "LB-927A7AF1C94E", "smiles": "COc1ccc(NS(=O)(=O)c2c(O)c(C(=O)O)c(OC)c3ccoc23)cc1"}, {"compound_id": "LB-5318363C30D8", "smiles": "CSc1nc2[n-]nc([N+](=O)[O-])c(=O)n2n1.O.O.[Na+]"}, {"compound_id": "LB-B8AC8D993D50", "smiles": "CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21"}, {"compound_id": "LB-2ED087885F8C", "smiles": "CCCCOc1c(OC)ccc2c(Cc3ccc(C(C)C)cc3)c3[n+](cc12)CCc1cc2c(cc1-3)OCO2.[Cl-]"}, {"compound_id": "LB-926F4C64DDE7", "smiles": "CN(C)CCCCCN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1.Cl.Cl"}, {"compound_id": "LB-80BB9C563C47", "smiles": "O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1ccc(Cl)cc1Cl"}, {"compound_id": "LB-505BF08E21DF", "smiles": "COc1ccc(Sc2c([N+](=O)[O-])cc(C#N)cc2[N+](=O)[O-])cc1"}, {"compound_id": "LB-AAB0338B3DFD", "smiles": "CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]"}, {"compound_id": "LB-A8C71C5699F0", "smiles": "Cc1cc(S(=O)(=O)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1Cl"}, {"compound_id": "LB-6A802F13131F", "smiles": "O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(F)c2)c(C(F)(F)F)c1"}, {"compound_id": "LB-D054ABAF49A3", "smiles": "Cc1cc(NS(=O)(=O)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)c(Cl)cc1Cl"}, {"compound_id": "LB-C9ABD5E40CEF", "smiles": "CCCN(CCC)c1c([N+](=O)[O-])cc(Sc2cc(C)c(Cl)cc2Cl)cc1[N+](=O)[O-]"}, {"compound_id": "LB-399FB2289017", "smiles": "N#Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(F)c2)c([N+](=O)[O-])c1"}, {"compound_id": "LB-057AC4B48614", "smiles": "Cc1cc(S(=O)(=O)c2c([N+](=O)[O-])cc(C#N)cc2[N+](=O)[O-])c(Cl)cc1Cl"}, {"compound_id": "LB-3949E207D84C", "smiles": "CCCN(CCC)c1c([N+](=O)[O-])cc(Sc2ccc(OC)cc2)cc1[N+](=O)[O-]"}, {"compound_id": "LB-95537795F2DE", "smiles": "CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1"}, {"compound_id": "LB-07C671D9C483", "smiles": "CCN1CC2=C(N=C3N(c4ccccc4)N=C(C(=O)Nc4ccccc4)N3C2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1"}, {"compound_id": "LB-3342BA53764A", "smiles": "CCOC(=O)C1=NN(c2ccc(Cl)cc2)C2=NC3=C(CN(CC)C/C3=C\\c3ccc(C)cc3)CN12"}, {"compound_id": "LB-098B0AD66ED2", "smiles": "CCN1C/C(=C\\c2ccc(C)cc2)c2cc3nc4n(-c5ccccc5)nc(C(=O)OC)n4c(=O)c3c(-c3ccc(C)cc3)c2C1"}, {"compound_id": "LB-0ECB009E7407", "smiles": "CCN1C/C(=C\\c2ccc(C)cc2)c2nc3nc4n(c(=O)c3c(-c3ccc(C)cc3)c2C1)C(=O)CS4"}, {"compound_id": "LB-68951485F4D3", "smiles": "CCN1C/C(=C\\c2ccc(C)cc2)c2nc3[nH]c(=S)[nH]c(=O)c3c(-c3ccc(C)cc3)c2C1"}, {"compound_id": "LB-B6343775B116", "smiles": "CCN1C/C(=C\\c2ccc(C)cc2)c2cc3nc4n(-c5ccc(Cl)cc5)nc(C(=O)Nc5ccccc5)n4c(=O)c3c(-c3ccc(C)cc3)c2C1"}, {"compound_id": "LB-E05B0EF05DE2", "smiles": "CCN1CC2=C(N=C3N(c4ccc(Cl)cc4)N=C(C(C)=O)N3C2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1"}, {"compound_id": "LB-67B609FC32B4", "smiles": "CCN1CC2=C(N=C3N(c4ccccc4)N=C(C(C)=O)N3C2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1"}, {"compound_id": "LB-905B61A875CC", "smiles": "CCN1CC2=C(N=C3N(c4ccc(C)cc4)N=C(C(=O)Nc4ccccc4)N3C2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1"}, {"compound_id": "LB-44C10BD59520", "smiles": "CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC3=C(CN(CC)C/C3=C\\c3ccc(C)cc3)C(c3ccc(C)cc3)N12"}, {"compound_id": "LB-9544F25C9D42", "smiles": "CCN1CC2=C(NC(=S)NC2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1"}, {"compound_id": "LB-818894851704", "smiles": "COc1cccc(NC(=O)c2c(N)sc3c2CCCC3)c1"}, {"compound_id": "LB-FD91C036E0E7", "smiles": "COc1cccc(-n2nnc3sc4c(c3c2=O)CCCC4)c1"}, {"compound_id": "LB-5EA234FDBAC6", "smiles": "COc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)c1"}, {"compound_id": "LB-BDCE5F3C1349", "smiles": "COc1cccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)c1"}, {"compound_id": "LB-332C8BA3644D", "smiles": "COc1cccc(NC(=O)c2c(NC(=O)/C=C/c3ccccc3)sc3c2CCCC3)c1"}, {"compound_id": "LB-C094D65EBEB9", "smiles": "COc1cccc(-n2c(-c3ccccc3)nc3sc4c(c3c2=O)CCCC4)c1"}, {"compound_id": "LB-C6274325795D", "smiles": "COc1cccc(-n2c(/C=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)c1"}, {"compound_id": "LB-44A6E428BB55", "smiles": "N#Cc1c(N)sc2c1CCCC2"}, {"compound_id": "LB-5AA0FB9F9A9C", "smiles": "N#Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2"}, {"compound_id": "LB-7FE786573965", "smiles": "N#Cc1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCC2"}, {"compound_id": "LB-AD9CCF065AB4", "smiles": "N#Cc1c(NC(=O)CCl)sc2c1CCCC2"}, {"compound_id": "LB-A9BDC53B230F", "smiles": "N=c1oc(-c2ccccc2)nc2sc3c(c12)CCCC3"}, {"compound_id": "LB-15590E686C57", "smiles": "N=c1oc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3"}, {"compound_id": "LB-9699DC68A4CC", "smiles": "N#Cc1c(-n2c(O)csc2=N)sc2c1CCCC2"}, {"compound_id": "LB-7CEBBD41CEBB", "smiles": "N#Cc1c(NC(=O)/C=C/C(=O)C(=O)O)sc2c1CCCC2"}, {"compound_id": "LB-72864A9BBD1F", "smiles": "N#Cc1c(N2C(=O)C=CC2=O)sc2c1CCCC2"}, {"compound_id": "LB-C01EB6412A81", "smiles": "N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCCC2"}, {"compound_id": "LB-494D74A8486C", "smiles": "N=c1c2c3c(sc2nc(S)n1C(=O)c1ccccc1)CCCC3"}, {"compound_id": "LB-A567F4ACA7A0", "smiles": "N#Cc1c(/N=C/c2ccccc2)sc2c1CCCC2"}, {"compound_id": "LB-96E739F79A89", "smiles": "N#Cc1c(N2C(=S)N=C(c3ccccc3)OC2c2ccccc2)sc2c1CCCC2"}, {"compound_id": "LB-778A82A29FDD", "smiles": "Cc1nnc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2C#N)c2cn(-c3ccccc3)nc12"}, {"compound_id": "LB-70E65522C780", "smiles": "N#Cc1c(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)Nc2ccccc2)nn(-c2ccccc2)c1-c1ccccc1"}, {"compound_id": "LB-C5E3F4062E88", "smiles": "N#Cc1c(-c2nnc(-c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c3nn(-c4ccc(Cl)cc4)cc23)nn(-c2ccccc2)c1-c1ccccc1"}, {"compound_id": "LB-8A3E223ED028", "smiles": "N#Cc1c(-c2nnc(O)c3nn(-c4ccccc4)cc23)nn(-c2ccccc2)c1-c1ccccc1"}, {"compound_id": "LB-428C29CF44A9", "smiles": "CCOC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C#N"}, {"compound_id": "LB-51572BE4E126", "smiles": "Cc1ccc(-n2cc(C(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c(C(=O)Nc3ccccc3)n2)cc1"}, {"compound_id": "LB-1ACB4E28091A", "smiles": "N#Cc1c(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1"}, {"compound_id": "LB-2126B877DFC5", "smiles": "CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C#N"}, {"compound_id": "LB-3D98F9FE47BE", "smiles": "Cc1ccc(-n2cc(C(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c(C(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)n2)cc1"}, {"compound_id": "LB-8D1A6D888DC2", "smiles": "N#Cc1c(-c2nnc(-c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c3nn(-c4ccccc4)cc23)nn(-c2ccccc2)c1-c1ccccc1"}, {"compound_id": "LB-20258FFFD1CF", "smiles": "CN(C)/C=C/C(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C#N"}, {"compound_id": "LB-10B8402ACA0A", "smiles": "N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1"}, {"compound_id": "LB-6911D91BDE1A", "smiles": "CCOC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C#N"}, {"compound_id": "LB-79E12BBFE65B", "smiles": "N#Cc1c(-c2nnc(O)c3nn(-c4ccc(Cl)cc4)cc23)nn(-c2ccccc2)c1-c1ccccc1"}, {"compound_id": "LB-0F558544203A", "smiles": "CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C#N"}, {"compound_id": "LB-3332DEB5DF7A", "smiles": "Cc1ccc(-n2cc(C(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c(C(=O)c3ccccc3)n2)cc1"}, {"compound_id": "LB-689D166CE014", "smiles": "Cc1ccc(-n2cc3c(-c4nn(-c5ccccc5)c(-c5ccccc5)c4C#N)nnc(-c4ccccc4)c3n2)cc1"}, {"compound_id": "LB-BA39022B9405", "smiles": "N#Cc1c(C(=O)/C=C/N2CCOCC2)nn(-c2ccccc2)c1-c1ccccc1"}, {"compound_id": "LB-DBC218A05F34", "smiles": "N#Cc1c(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1"}, {"compound_id": "LB-A741E6A948EC", "smiles": "N#Cc1c(-c2nnc(-c3ccccc3)c3nn(-c4ccccc4)cc23)nn(-c2ccccc2)c1-c1ccccc1"}, {"compound_id": "LB-AA7287D51494", "smiles": "Cc1ccc(N/N=C(\\C(=O)c2ccc(Cl)cc2)c2nc(C)cc(=O)[nH]2)cc1"}, {"compound_id": "LB-BF7F4637C47D", "smiles": "Cc1cccc(N/N=C(\\C(=O)c2ccc(Cl)cc2)c2nc(C)cc(=O)[nH]2)c1"}, {"compound_id": "LB-15CDCAD6B948", "smiles": "Cc1cc(=O)[nH]c(/C(=N/Nc2ccccc2)C(=O)c2ccc(Cl)cc2)n1"}, {"compound_id": "LB-9289693BA381", "smiles": "Cc1cc(=O)[nH]c(/C(=N/Nc2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)n1"}, {"compound_id": "LB-DA0A1A40FFE9", "smiles": "Cc1cc(=O)[nH]c(/C(=N/Nc2cccc(Cl)c2)C(=O)c2ccc(Cl)cc2)n1"}, {"compound_id": "LB-8836A4A7935E", "smiles": "Cc1cc(=O)[nH]c(/C(=N/Nc2cccc([N+](=O)[O-])c2)C(=O)c2ccc(Cl)cc2)n1"}, {"compound_id": "LB-6CCD00499520", "smiles": "Cc1cc(=O)[nH]c(/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Cl)cc2)n1"}, {"compound_id": "LB-BC87098A5795", "smiles": "CC(=O)c1ccc(N/N=C(\\C(=O)c2ccc(Cl)cc2)c2nc(C)cc(=O)[nH]2)cc1"}, {"compound_id": "LB-52B25A0DF780", "smiles": "CCOC(=O)c1ccc(N/N=C(\\C(=O)c2ccc(Cl)cc2)c2nc(C)cc(=O)[nH]2)cc1"}, {"compound_id": "LB-B751AD3FBD61", "smiles": "O=[Se]([O-])[O-].[Na+].[Na+]"}, {"compound_id": "LB-733657BB07AC", "smiles": "CSc1nc2c(c(=O)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"}, {"compound_id": "LB-68B5117D416B", "smiles": "CSc1nc2c(c(=O)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-05630428D4CA", "smiles": "CSc1nc2c(c(=O)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O"}, {"compound_id": "LB-544DD0B810F0", "smiles": "CSc1nc2c(c(=S)[nH]1)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O"}, {"compound_id": "LB-B103D9F5C00F", "smiles": "CSc1nc2c(c(=O)n1C)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C=C1Cl)N2"}, {"compound_id": "LB-06AAB15ED421", "smiles": "CSc1nc2c(c(=O)n1C)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1Cl)N2"}, {"compound_id": "LB-4677212B4907", "smiles": "CSc1nc2c(c(=O)n1C)C(c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2"}, {"compound_id": "LB-6AF819AA6103", "smiles": "CC1(C)CC(=O)C2=C(C1)Nc1nc3[nH]nc(-c4ccc(Cl)cc4)n3c(=O)c1C2c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-4F7E71740A8D", "smiles": "CC1(C)CC(=O)C2=C(C1)Nc1nc(N/N=C\\c3ccc(Cl)cc3)[nH]c(=O)c1C2c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-2459FD3F6C23", "smiles": "Cc1cn2c(=O)c3c(nc2n1N)NC1=C(C(=O)CC(C)(C)C1)C3c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-9D5E5815E7DA", "smiles": "CC1(C)CC(=O)C2=C(C1)Nc1nc(Nn3c(=O)c4cc5c(=O)n(Nc6nc7c(c(=O)[nH]6)C(c6ccc([N+](=O)[O-])cc6)C6=C(CC(C)(C)CC6=O)N7)c(=O)c5cc4c3=O)[nH]c(=O)c1C2c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-03599A8E0DDC", "smiles": "CC1(C)CC(=O)C2=C(C1)Nc1nc3[nH]ncn3c(=O)c1C2c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-0D4D9D6C6ABB", "smiles": "CC1(C)CC(=O)C2=C(C1)Nc1nc(N)[nH]c(=O)c1C2c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-FF5518732B4C", "smiles": "CC1=C(C)C(c2ccc([N+](=O)[O-])cc2)c2c(nc3[nH]nnn3c2=O)N1"}, {"compound_id": "LB-3F8A9E78306F", "smiles": "CC1(C)CC(=O)C2=C(C1)Nc1nc(NN)[nH]c(=O)c1C2c1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-A339F15CA85D", "smiles": "COC(=O)c1cc(Br)ccc1OC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1"}, {"compound_id": "LB-0949B5C2C376", "smiles": "Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O"}, {"compound_id": "LB-163DAB5F3712", "smiles": "CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O"}, {"compound_id": "LB-C197474BAAFA", "smiles": "CN(CCCl)CCCl"}, {"compound_id": "LB-FC7D334824D4", "smiles": "CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N1CCN(CCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)CC1"}, {"compound_id": "LB-0102BB26CE98", "smiles": "C1=[N+](Cc2ccccc2)CC2CCCCN12.[Br-]"}, {"compound_id": "LB-F8FA71B38874", "smiles": "CC(C)(C)c1ccc(C[N+]2=CN3CCCCC3C2)cc1.[Br-]"}, {"compound_id": "LB-49692479E206", "smiles": "Cc1cc(C)c(C[N+]2=CN3CCCCC3C2)c(C)c1.[Br-]"}, {"compound_id": "LB-DF23809B83DE", "smiles": "Cc1cc(C)c(C)c(C[N+]2=CN3CCCCC3C2)c1C.[Br-]"}, {"compound_id": "LB-49AA2E5F8CCB", "smiles": "Cc1c(C)c(C)c(C[N+]2=CN3CCCCC3C2)c(C)c1C.[Br-]"}, {"compound_id": "LB-A27B4E584BA6", "smiles": "Fc1c(F)c(F)c(C[N+]2=CN3CCCCC3C2)c(F)c1F.[Br-]"}, {"compound_id": "LB-762A38B38A06", "smiles": "FC(F)(F)c1ccc(C[N+]2=CN3CCCCC3C2)cc1.[Br-]"}, {"compound_id": "LB-CCA4AC89B582", "smiles": "Clc1ccc(C[N+]2=CN3CCCCC3C2)c(Cl)c1.[Br-]"}, {"compound_id": "LB-CA39E2089585", "smiles": "CC(C)(CO)Cn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cn2)c1=O"}, {"compound_id": "LB-37C83F8DED25", "smiles": "O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCc1ccccn1"}, {"compound_id": "LB-006808A66C7B", "smiles": "O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ncccn1"}, {"compound_id": "LB-696014B17D73", "smiles": "O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1Cc1ccccn1"}, {"compound_id": "LB-388AF5FB0B01", "smiles": "Cc1c2c(OCCCN3CCN(c4ccccc4)CC3)nn(C)c(=O)c2c(C)n1-c1ccccc1"}, {"compound_id": "LB-BC7994177C80", "smiles": "COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1"}, {"compound_id": "LB-E7809C5B97BA", "smiles": "Cc1ccccc1-n1c(C)nc2c(OCC(=O)NN)cccc2c1=O"}, {"compound_id": "LB-3774AC857586", "smiles": "CCOC(=O)NNC(=O)COc1cccc2c(=O)n(-c3ccccc3C)c(C)nc12"}, {"compound_id": "LB-57B7ECE3FFDE", "smiles": "CSC(=S)NNC(=O)COc1cccc2c(=O)n(-c3ccccc3C)c(C)nc12"}, {"compound_id": "LB-A8B91C91DB73", "smiles": "C[n+]1ccc(/C=N/O)cc1.[Cl-]"}, {"compound_id": "LB-C7A2D9B40680", "smiles": "Cc1ccccc1-n1c(C)nc2cc(N3C(=O)CSC3c3ccc(F)cc3)ccc2c1=O"}, {"compound_id": "LB-01C248BA62D2", "smiles": "Cc1ccccc1-n1c(C)nc2cc(N3C(=O)CSC3c3ccc(Cl)cc3)ccc2c1=O"}, {"compound_id": "LB-DCF756E72CB0", "smiles": "Cc1ccccc1-n1c(C)nc2cc(N3C(=O)CSC3c3ccccc3)ccc2c1=O"}, {"compound_id": "LB-5B14309B76DA", "smiles": "Cc1ccccc1-n1c(C)nc2cc(/N=C/c3ccc(F)cc3)ccc2c1=O"}, {"compound_id": "LB-CEAD4E0A3507", "smiles": "Cc1ccccc1-n1c(C)nc2cc(/N=C/c3ccc(Cl)cc3)ccc2c1=O"}, {"compound_id": "LB-CFD1049AA5FA", "smiles": "CCOC(=O)Nc1ccc2c(=O)n(-c3ccccc3C)c(C)nc2c1"}, {"compound_id": "LB-7BFF8F893C12", "smiles": "CCCCCCCCCCN1C[C@@H](O)[C@@H](O)C1"}, {"compound_id": "LB-91F67C9C80BB", "smiles": "CCCC(=O)N(Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1)[C@H](C(=O)O)C(C)C"}, {"compound_id": "LB-840E4E046BC1", "smiles": "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C"}, {"compound_id": "LB-13222012EEE3", "smiles": "CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"}, {"compound_id": "LB-6ED9473AF27B", "smiles": "O=c1c2ccccc2[se]n1-c1ccccc1"}, {"compound_id": "LB-EC4D6164117F", "smiles": "COc1ccc(C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(O)C[C@H](O)[C@@]7(O)[C@@H](CN8C[C@@H](C)CC[C@H]8[C@@]7(C)O)[C@]6(O)C[C@@]53O[C@]24O)cc1OC"}, {"compound_id": "LB-F867BC48B71F", "smiles": "CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C1O[C@H](C=C1[C@H]5[C@@H](O)[C@H](C[C@H]53)[C@@H](OC)[C@H]1O)[C@H]24"}, {"compound_id": "LB-065A336B066A", "smiles": "CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC"}, {"compound_id": "LB-44FF31AD0ECB", "smiles": "C[C@H]1O[C@@H](n2cc(F)c(NC(=O)Oc3ccc([N+](=O)[O-])cc3)nc2=O)[C@@H]2OC(=O)O[C@@H]21"}, {"compound_id": "LB-A885A9820778", "smiles": "C[C@H]1O[C@@H](n2cc(F)c(NC(=O)Oc3ccc(Cl)cc3)nc2=O)[C@@H]2OC(=O)O[C@@H]21"}, {"compound_id": "LB-5FE8310822BE", "smiles": "COc1cc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\\C)C(C)C)[C@@]3(C)[C@]4(O)CC[C@@]3(O)C(C)=O)C2)cc(OC)c1OC"}, {"compound_id": "LB-4E116204A02C", "smiles": "COC[C@@]12CC[C@H](OC)[C@]34C(C([C@H](OC)[C@H]13)[C@]1(OC(C)=O)[C@H]3[C@@H](OC(=O)c5ccccc5)[C@](O)(C[C@H]34)[C@@H](OC)[C@@H]1O)N(C)C2"}, {"compound_id": "LB-C8B7B549E185", "smiles": "COC[C@@]12CC[C@H](OC)[C@]34C([C@H]([C@H](OC)[C@H]13)[C@]1(OC(C)=O)[C@H]3[C@@H](OC(=O)c5ccccc5)[C@](O)(C[C@H]34)[C@H](OC)[C@@H]1O)N(C)C2"}, {"compound_id": "LB-85585CA71E13", "smiles": "CCCCCCCC1(c2cccc(Cl)c2)NC(=O)NC1=O"}, {"compound_id": "LB-C55E9826978B", "smiles": "CN(C)c1cccc2c(S(=O)(=O)NCCCCCC3(c4cccc(Cl)c4)NC(=O)NC3=O)cccc12"}, {"compound_id": "LB-EE13DEA04B1F", "smiles": "S=C1CCCN2C=C(Br)SC2=N1"}, {"compound_id": "LB-99F54F71AC69", "smiles": "O=C1CCCN2C(=N1)Sc1cc(Cl)ccc12"}, {"compound_id": "LB-B8E3ED620894", "smiles": "O=C1CCCN2C(=N1)Oc1ccc(Cl)cc12"}, {"compound_id": "LB-0DFBFDC13480", "smiles": "[O-][n+]1ccc(O)c(O)c1-c1c(O)c(O)cc[n+]1[O-]"}, {"compound_id": "LB-6CF2DE46CE42", "smiles": "S=C1N=C(c2ccccc2)C(c2ccccc2)=N1"}, {"compound_id": "LB-6A489D309254", "smiles": "Oc1ccccc1-c1nnc(S)n1-c1ccccc1"}, {"compound_id": "LB-93CCCDC857AD", "smiles": "Sc1nnc(-c2ccccc2)n1-c1ccccc1"}, {"compound_id": "LB-34DE79107C15", "smiles": "CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1"}, {"compound_id": "LB-B7931A8B8E36", "smiles": "CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21"}, {"compound_id": "LB-C926F0D74BFE", "smiles": "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1"}, {"compound_id": "LB-5384CB9244F9", "smiles": "CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1"}, {"compound_id": "LB-C1429A5A0CAD", "smiles": "CCOP(=S)(OCC)SCSCC"}, {"compound_id": "LB-8DEEB7DA6F95", "smiles": "CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1"}, {"compound_id": "LB-A830E679A9C1", "smiles": "CCOP(=O)(SC(C)CC)SC(C)CC"}, {"compound_id": "LB-F07A08D74093", "smiles": "CCN1C[C@]2(C)CC[C@H](O)[C@@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6O)[C@@H](CC23)C14"}, {"compound_id": "LB-238E001DF0FA", "smiles": "CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1"}, {"compound_id": "LB-6EB482348788", "smiles": "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1"}, {"compound_id": "LB-2798330D379B", "smiles": "COc1ccc(-c2c(-c3ccccc3)c(C(=O)O)nn2-c2ccc(Cl)cc2)c(OC)c1"}, {"compound_id": "LB-D7A94F338DF7", "smiles": "COc1ccc(-c2c(C)c(C(=O)O)nn2-c2ccc(Cl)cc2)c(OC)c1"}, {"compound_id": "LB-B9A5DE608FFC", "smiles": "CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(-c2ccc(OC)cc2OC)c1-c1ccccc1"}, {"compound_id": "LB-39656E45512A", "smiles": "CCOC(=O)c1nn(-c2ccccc2)c(-c2ccc(OC)cc2OC)c1-c1ccccc1"}, {"compound_id": "LB-B32A1D52C127", "smiles": "CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(-c2ccc(OC)cc2OC)c1C"}, {"compound_id": "LB-B93DD0F344D1", "smiles": "CCOC(=O)c1nn(-c2ccccc2)c(-c2ccc(OC)cc2OC)c1C"}, {"compound_id": "LB-A91934B18914", "smiles": "CCOC(=O)C(=O)C(C(=O)c1ccc(OC)cc1OC)c1ccccc1"}, {"compound_id": "LB-1045895E8019", "smiles": "CCOC(=O)C(=O)C(C)C(=O)c1ccc(OC)cc1OC"}, {"compound_id": "LB-404DA30D0CED", "smiles": "COc1ccc(C2=NN(C(=S)NC(=O)c3ccc(Cl)cc3)CC2c2ccccc2)c(OC)c1"}, {"compound_id": "LB-A62969F108D5", "smiles": "COc1ccc(C2=NN(C(=S)NC(=O)c3ccc(Cl)cc3)CC2C)c(OC)c1"}, {"compound_id": "LB-5A636E3174CE", "smiles": "COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2c2ccccc2)c(OC)c1"}, {"compound_id": "LB-EF54CEB41C04", "smiles": "COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2c2ccccc2)c(OC)c1"}, {"compound_id": "LB-3ED0873CC831", "smiles": "COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2C)c(OC)c1"}, {"compound_id": "LB-4B288DD591D6", "smiles": "COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(C)cc3)CC2C)c(OC)c1"}, {"compound_id": "LB-979EB0C6904B", "smiles": "COc1ccc(C2=NNCC2c2ccccc2)c(OC)c1"}, {"compound_id": "LB-39063FDC0F26", "smiles": "COc1ccc(C2=NNCC2C)c(OC)c1"}, {"compound_id": "LB-4FDCD72EEFA4", "smiles": "C=C(C(=O)c1ccc(OC)cc1OC)c1ccccc1"}, {"compound_id": "LB-99FC13BECBAE", "smiles": "C=C(C)C(=O)c1ccc(OC)cc1OC"}, {"compound_id": "LB-097EDDBE9B4B", "smiles": "COc1ccc(C(=O)Cc2ccccc2)c(OC)c1"}, {"compound_id": "LB-82C0D684CED5", "smiles": "CCCCCCCCCCCCCCc1c2c(OC)c(OC)ccc2cc2[n+]1CCc1cc3c(cc1-2)OCO3.[Cl-]"}, {"compound_id": "LB-11877EA0592C", "smiles": "COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]"}, {"compound_id": "LB-E61D451596E4", "smiles": "CCCCCCCCCCCCc1c2c(OC)c(OC)ccc2cc2[n+]1CCc1cc3c(cc1-2)OCO3.[Cl-]"}, {"compound_id": "LB-469BAA7F2556", "smiles": "CCCCCCCCc1c2c(OC)c(OC)ccc2cc2[n+]1CCc1cc3c(cc1-2)OCO3.[Cl-]"}, {"compound_id": "LB-4EEDEA16FB78", "smiles": "O=[N+]([O-])/N=C1\\N(Cc2ccc(Cl)nc2)CCN1Cc1ccc(CN2CCN(Cc3ccc(Cl)nc3)/C2=N\\[N+](=O)[O-])s1"}, {"compound_id": "LB-DC3DFE33AD01", "smiles": "O=[N+]([O-])/N=C1\\N(Cc2ccc(Cl)nc2)CCN1Cc1ccc(CN2CCN(Cc3ccc(Cl)nc3)/C2=N\\[N+](=O)[O-])o1"}, {"compound_id": "LB-59B2462AD1C3", "smiles": "Cc1ccc(NC(=O)c2c(N3CCCC3=O)c(C#N)c3n2CCC3)cc1"}, {"compound_id": "LB-4D1E8807C5F7", "smiles": "CCCCC(CC)OC(=O)COc1ccc(Cl)cc1C"}, {"compound_id": "LB-CDCFEA8283C8", "smiles": "C[N+](C)(C)CCl.Cc1cc(Cl)ccc1OCC(=O)[O-]"}, {"compound_id": "LB-49BC0C735D71", "smiles": "CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.Cc1cc(Cl)ccc1OCC(=O)[O-]"}, {"compound_id": "LB-50004FDD4E59", "smiles": "C[N+](C)(C)CCCl.[Cl-]"}, {"compound_id": "LB-28749BB7D6FD", "smiles": "Cc1cc(Cl)ccc1OCC(=O)O"}, {"compound_id": "LB-04E7AF164647", "smiles": "Nc1c(Cl)cc([N+](=O)[O-])cc1Cl"}, {"compound_id": "LB-10514595FB6C", "smiles": "CCOP(=S)(OC)O/N=C(\\C#N)c1ccccc1"}, {"compound_id": "LB-FE7DE29F6879", "smiles": "CCOP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl"}, {"compound_id": "LB-7E376B0C4BEC", "smiles": "CC1=CC=C(C(C)C)CC1"}, {"compound_id": "LB-F05D0F51B03E", "smiles": "CC(C)[C@]12CC[C@@]3(C)O[C@H]3[C@H]1O2"}, {"compound_id": "LB-A6326F11B357", "smiles": "CC1=CC2C(CC1)C2(C)C"}, {"compound_id": "LB-ECC25E7A7B94", "smiles": "CC(C)[C@@]12C=C[C@@](C)(CC1)OO2"}, {"compound_id": "LB-0273DB35565F", "smiles": "COP(=O)(OC)C(OC(=O)COc1ccc(Cl)cc1Cl)c1ccco1"}, {"compound_id": "LB-6711DE68A257", "smiles": "O=c1c2ccccc2nc2n1NC(c1ccc(O)c(O)c1)C2"}, {"compound_id": "LB-D126A8641021", "smiles": "COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1"}, {"compound_id": "LB-92267A94F10F", "smiles": "Cc1nc2c(I)cc(I)cc2c(=O)n1Cc1ccc(Br)cc1"}, {"compound_id": "LB-BC59AE1B7AFD", "smiles": "Cc1nc2c(I)cc(I)cc2c(=O)n1Cc1ccc(F)cc1"}, {"compound_id": "LB-599877832935", "smiles": "Cc1nc2c(I)cc(I)cc2c(=O)n1Cc1ccc(Cl)cc1"}, {"compound_id": "LB-C1440D16A2DE", "smiles": "COc1cc([C@@H]2C[C@@]3(C)O[C@H]4C(C)=CC[C@@H]3[C@H]4O2)cc(OC)c1OC"}, {"compound_id": "LB-818305ADB16B", "smiles": "CC(=O)NC1=NN(C(C)=O)C2(CC(C)(C)Oc3ccc(OC(C)=O)cc32)S1"}, {"compound_id": "LB-88DEF5DB1FF3", "smiles": "CCC1(C)Oc2ccc(O)cc2-c2nn[se]c21"}, {"compound_id": "LB-F8E77477A103", "smiles": "CCCN1CCC(N(C(=O)CC)c2ccccc2)CC1"}, {"compound_id": "LB-57CAC0479BD5", "smiles": "CCC(=O)N(c1ccccc1)C1CCN(CCOc2ccccc2)CC1"}, {"compound_id": "LB-DE97351C96B5", "smiles": "CCC(=O)N(c1ccccc1)C1CCN(CCCOc2ccccc2)CC1"}, {"compound_id": "LB-C2CD4A0E5EA8", "smiles": "CCC(=O)N(c1ccccc1)C1CCN(CCC#N)CC1"}, {"compound_id": "LB-B249AE1CFF50", "smiles": "CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O"}, {"compound_id": "LB-3E0CA6101F6C", "smiles": "O=C1c2ccccc2C(=O)N1n1c(-c2cccs2)nc2ccc(I)cc2c1=O"}, {"compound_id": "LB-2DAE4CDB1679", "smiles": "Cc1ccc2nc(SCC(=O)NN3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)n(-c3ccccc3)c(=O)c2c1"}, {"compound_id": "LB-645B29599983", "smiles": "c1cncc(-c2nccc3c4ccccc4n(CCCCCCn4c5ccccc5c5ccnc(-c6cccnc6)c54)c23)c1"}, {"compound_id": "LB-BE167896C32B", "smiles": "Cc1nccc2c3ccc(OC(C)C)cc3n(CCCCCCn3c4cc(OC(C)C)ccc4c4ccnc(C)c43)c12"}, {"compound_id": "LB-10A48424BBC5", "smiles": "COc1cc(-c2nccc3c4ccccc4n(CCCCCCn4c5ccccc5c5ccnc(-c6cc(OC)c(OC)c(OC)c6)c54)c23)cc(OC)c1OC"}, {"compound_id": "LB-14F4711F1D05", "smiles": "Cc1nccc2c3ccccc3n(CCCCCCn3c4ccccc4c4ccnc(C)c43)c12"}, {"compound_id": "LB-38EE691D8B61", "smiles": "Cc1nccc2c3ccccc3n(CCCCn3c4ccccc4c4ccnc(C)c43)c12"}, {"compound_id": "LB-A9D8ADF5A8E2", "smiles": "c1ccc2c(c1)c1ccncc1n2CCCCCCn1c2ccccc2c2ccncc21"}, {"compound_id": "LB-2AFA47FDDB69", "smiles": "c1ccc2c(c1)c1ccncc1n2CCCCn1c2ccccc2c2ccncc21"}, {"compound_id": "LB-E25E4F523EC8", "smiles": "c1ccc2c(c1)c1ccncc1n2CCCCCn1c2ccccc2c2ccncc21"}, {"compound_id": "LB-6351D4FAFD17", "smiles": "COc1ccc2c(c1)[nH]c1c(C)nccc12"}, {"compound_id": "LB-4EB8BECF0A04", "smiles": "COc1ccc2c3ccnc(C)c3n(CCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1"}, {"compound_id": "LB-10429A559D22", "smiles": "CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12"}, {"compound_id": "LB-B61ECBD6026C", "smiles": "CCn1c2cc(OCCCc3ccccc3)ccc2c2ccnc(C)c21"}, {"compound_id": "LB-D4B69BAEFAEA", "smiles": "CCn1c2cc(OCC(C)C)ccc2c2ccnc(C)c21"}, {"compound_id": "LB-74B324D4A899", "smiles": "CCC(CC)Oc1ccc2c3ccnc(C)c3n(CCCc3ccccc3)c2c1"}, {"compound_id": "LB-65EB92BD7BA0", "smiles": "CCn1c2cc(OCCCc3ccccc3)ccc2c2cc[n+](Cc3ccccc3)c(C)c21.[Br-]"}, {"compound_id": "LB-A3969F260DC7", "smiles": "CCn1c2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2c2cc[n+](Cc3ccccc3)c(C)c21.[Br-]"}, {"compound_id": "LB-D291DAB96C81", "smiles": "CCn1c2cc(OCC(C)C)ccc2c2cc[n+](Cc3ccccc3)c(C)c21.[Br-]"}, {"compound_id": "LB-83E7DFA7DA59", "smiles": "CCC(CC)Oc1ccc2c3cc[n+](Cc4ccccc4)c(C)c3n(CCCc3ccccc3)c2c1.[Br-]"}, {"compound_id": "LB-A23E5B7433FE", "smiles": "Cc1c2c(cc[n+]1Cc1ccccc1)c1ccc(OCc3ccccc3)cc1n2CC(C)C.[Br-]"}, {"compound_id": "LB-FCCC3A3C43A5", "smiles": "Cc1c2c(cc[n+]1Cc1ccccc1)c1ccc(OCCCc3ccccc3)cc1n2CCCc1ccccc1.[Br-]"}, {"compound_id": "LB-68437C66D2E9", "smiles": "O=C(/C=C/C(=O)c1ccc(F)cc1)Nc1ccccc1"}, {"compound_id": "LB-535FE9402E94", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCCOC(=O)CN.O=C(O)C(F)(F)F"}, {"compound_id": "LB-04E1BA15D049", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCCOP(=O)([O-])[O-].[Na+].[Na+]"}, {"compound_id": "LB-2E64D8E4E3F5", "smiles": "CC(C)c1cccc(C(C)C)c1OCOP(=O)([O-])[O-].[Na+].[Na+]"}, {"compound_id": "LB-8DC3B716DCB0", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCCO"}, {"compound_id": "LB-F42D032FE682", "smiles": "Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccc(F)cc2)cc1"}, {"compound_id": "LB-7EDC19D73E3A", "smiles": "COc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\\c2ccc(Cl)cc2)cc1"}, {"compound_id": "LB-450CF964AA34", "smiles": "COc1ccc(/N=C\\c2cn(-c3ccc(S(N)(=O)=O)cc3)nc2-c2ccc(OC)cc2)cc1"}, {"compound_id": "LB-EAC1D969B960", "smiles": "COc1ccc(/N=C\\c2cn(-c3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)cc1"}, {"compound_id": "LB-03CD509477F1", "smiles": "Cc1ccccc1NC(=O)[C@@H]1CCCN1C.Cl"}, {"compound_id": "LB-5EC5C89D1DB6", "smiles": "CCN1CCCC1C(=O)Nc1ccccc1C.Cl"}, {"compound_id": "LB-24C128D8B963", "smiles": "CCCCN1CCCC1C(=O)Nc1ccccc1C.Cl"}, {"compound_id": "LB-A3BEB95C4FF6", "smiles": "CCCCN1CCCC1C(=O)Nc1c(C)cccc1C.Cl"}, {"compound_id": "LB-4DEE625F5A2A", "smiles": "CCCCN1CCCC1C(=O)Nc1ccc(C)cc1C.Cl"}, {"compound_id": "LB-9378F32DFAB9", "smiles": "CCCCN1CCCC1C(=O)Nc1ccccc1C(F)(F)F.Cl"}, {"compound_id": "LB-18954634DCDF", "smiles": "CCCCN1CCCC1C(=O)Nc1ccccc1CC.Cl"}, {"compound_id": "LB-7AF3C0E44377", "smiles": "CCCCN1CCCC1C(=O)Nc1ccccc1I.Cl"}, {"compound_id": "LB-BDEACB33F547", "smiles": "CCCCN1CCCC1C(=O)Nc1ccc(Cl)cc1Cl.Cl"}, {"compound_id": "LB-EE6B9E2BBF62", "smiles": "CCCCN1CCCC1C(=O)Nc1ccc(Br)cc1Br.Cl"}, {"compound_id": "LB-05EDADF03ECB", "smiles": "CCCCCN1CCCC1C(=O)Nc1ccccc1C.Cl"}, {"compound_id": "LB-4D53F27238E8", "smiles": "CCCCCCN1CCCC1C(=O)Nc1ccccc1C.Cl"}, {"compound_id": "LB-5E8F8010BD84", "smiles": "Cc1ccccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1.Cl"}, {"compound_id": "LB-F5E39DA23B6A", "smiles": "Cc1ccccc1NC(=O)C1CCCN1C1CCCCC1.Cl"}, {"compound_id": "LB-85697C46F862", "smiles": "Cc1ccc(NC(=O)C2CCCN2C2CCCCC2)c(C)c1.Cl"}, {"compound_id": "LB-9EC862D933D6", "smiles": "Cl.O=C(Nc1ccccc1Cl)C1CCCN1C1CCCCC1"}, {"compound_id": "LB-8189B85E7A02", "smiles": "Cc1cc(C)c(NC(=O)C2CCCN2C2CCCCC2)c(C)c1.Cl"}, {"compound_id": "LB-880F5A7FADDF", "smiles": "CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C"}, {"compound_id": "LB-519C8F45F441", "smiles": "CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C"}, {"compound_id": "LB-5A73887E54DD", "smiles": "N=C(N)CCNC(=O)[C@@H]1CC[C@H](N)C1"}, {"compound_id": "LB-00590E288D9B", "smiles": "CCCCCCCCCCCCC(=O)N(CC(C)/C(=N\\c1ccccc1)Nc1ccccc1)c1ccccc1.Cl"}, {"compound_id": "LB-01B59A9013C1", "smiles": "CCCCCCCCCCC(=O)N(CC(C)/C(=N\\c1ccccc1)Nc1ccccc1)c1ccccc1.Cl"}, {"compound_id": "LB-11FE4C13FC5A", "smiles": "CCCCCCCCC(=O)N(CC(C)/C(=N\\c1ccccc1)Nc1ccccc1)c1ccccc1.Cl"}, {"compound_id": "LB-5F9850C5C467", "smiles": "CC(N)C12CC3CC(CC(C3)C1)C2"}, {"compound_id": "LB-1A8BAA1B6D75", "smiles": "CN(CCO)/[N+]([O-])=N\\Oc1cc(N2CCN(CC(=O)O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]"}, {"compound_id": "LB-A48E921346DF", "smiles": "COc1ccc(-c2c3c(cc[n+]2Cc2ccccc2)c2ccccc2n3CCCc2ccccc2)cc1.[Br-]"}, {"compound_id": "LB-3A233EC00686", "smiles": "Cc1c2c(cc[n+]1Cc1ccccc1)c1ccccc1n2CCCc1ccccc1.[Br-]"}, {"compound_id": "LB-9F3EF2831F93", "smiles": "Clc1cccc(C[n+]2ccc3c4ccccc4n(CCCc4ccccc4)c3c2)c1.[Br-]"}, {"compound_id": "LB-65D5F45034BA", "smiles": "Fc1ccc(C[n+]2ccc3c4ccccc4n(CCCc4ccccc4)c3c2)cc1.[Cl-]"}, {"compound_id": "LB-F0869B46FEBB", "smiles": "[Br-].c1ccc(CCCn2c3ccccc3c3cc[n+](Cc4ccccc4)cc32)cc1"}, {"compound_id": "LB-95CE608E497A", "smiles": "COc1ccc(Cn2c3ccccc3c3cc[n+](Cc4ccccc4)cc32)cc1.[Br-]"}, {"compound_id": "LB-07BFF9EDD6FF", "smiles": "CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O"}, {"compound_id": "LB-E9140F28047B", "smiles": "CCCCCCCCC[n+]1cccc(-c2nc(-c3ccccc3)c3c(=O)n(CCCCCC)c4ccccc4n23)c1.[Br-]"}, {"compound_id": "LB-CB7DE37ECA1D", "smiles": "CCCCCCCCCn1c(=O)c2c(-c3ccccc3)nc(-c3ccc[n+](Cc4cccc(C[n+]5cccc(-c6nc(-c7ccccc7)c7c(=O)n(CCCCCCCCC)c8ccccc8n67)c5)c4)c3)n2c2ccccc21.[Br-].[Br-]"}, {"compound_id": "LB-F412AF10744A", "smiles": "CCCCCC[n+]1cccc(-c2nc(-c3ccccc3)c3c(=O)[nH]c4ccccc4n23)c1.[Br-]"}, {"compound_id": "LB-AB06227A64B1", "smiles": "O=c1[nH]c2ccccc2n2c(-c3ccc[n+](Cc4ccccc4)c3)nc(-c3ccccc3)c12.[Cl-]"}, {"compound_id": "LB-BE0E9619C7FE", "smiles": "CCCC[n+]1cccc(-c2nc(-c3ccccc3)c3c(=O)[nH]c4ccccc4n23)c1.[I-]"}, {"compound_id": "LB-42BEC1717817", "smiles": "CCCCCCn1c(=O)c2c(-c3ccccc3)nc(-c3ccc[n+](Cc4ccccc4)c3)n2c2ccccc21.[Cl-]"}, {"compound_id": "LB-079E58BC3E70", "smiles": "CCCCCCCCC[n+]1cccc(-c2nc(-c3ccccc3)c3c(=O)n(CCCCCC)c4ccccc4n23)c1.[I-]"}, {"compound_id": "LB-0A7E930980B2", "smiles": "CCOC(=O)C(NCP1(=O)OCC(OCn2cnc3c(=O)[nH]c(N)nc32)CO1)c1ccc(O)cc1"}, {"compound_id": "LB-99EA8D461AAA", "smiles": "CCOC(=O)C(NCP1(=O)OCC(OCn2cnc3c(=O)[nH]c(N)nc32)CO1)c1ccccc1"}, {"compound_id": "LB-192C0D8980A2", "smiles": "CCOC(=O)C(CC(C)C)NCP1(=O)OCC(OCn2cnc3c(=O)[nH]c(N)nc32)CO1"}, {"compound_id": "LB-1C31C7945E94", "smiles": "COC(=O)C(NCP1(=O)OCC(OCn2cnc3c(=O)[nH]c(N)nc32)CO1)C(C)C"}, {"compound_id": "LB-A40477AB68EA", "smiles": "CCOC(=O)C(CO)NCP1(=O)OCC(OCn2cnc3c(=O)[nH]c(N)nc32)CO1"}, {"compound_id": "LB-36F5FF23F7C8", "smiles": "CCOC(=O)C(N)CSCP1(=O)OCC(OCn2cnc3c(=O)[nH]c(N)nc32)CO1"}, {"compound_id": "LB-0B3DD980F28D", "smiles": "NCCSCP1(=O)OCC(OCn2cnc3c(=O)[nH]c(N)nc32)CO1"}, {"compound_id": "LB-5CD5780A79C6", "smiles": "Nc1nc2c(ncn2COC2COP(=O)(CSCCO)OC2)c(=O)[nH]1"}, {"compound_id": "LB-EBCF33B8409A", "smiles": "Nc1nc2c(ncn2COC2COP(=O)(COCCO)OC2)c(=O)[nH]1"}, {"compound_id": "LB-6CF5770B1453", "smiles": "CCC(CO)NCP1(=O)OCC(OCn2cnc3c(=O)[nH]c(N)nc32)CO1"}, {"compound_id": "LB-94FD4B16E9CA", "smiles": "Nc1nc2c(ncn2COC2COP(=O)(CNCCO)OC2)c(=O)[nH]1"}, {"compound_id": "LB-BDE56AE0CEDF", "smiles": "NCCNCP1(=O)OCC(OCn2cnc3c(=O)[nH]c(N)nc32)CO1"}, {"compound_id": "LB-4EAB96EFF960", "smiles": "Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1"}, {"compound_id": "LB-FFA3AF2785DE", "smiles": "COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3ccc([N+](=O)[O-])cc3)C2)cc1"}, {"compound_id": "LB-26780F522A6A", "smiles": "COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3ccccc3[N+](=O)[O-])C2)cc1"}, {"compound_id": "LB-13F0A7C91A82", "smiles": "COc1ccc(C2CC(c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)=NN2c2ccccc2)cc1"}, {"compound_id": "LB-18D18492D99D", "smiles": "COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(C)C(c3ccc([N+](=O)[O-])cc3)C2)cc1"}, {"compound_id": "LB-053ABF2D7E81", "smiles": "COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(C)C(c3ccccc3[N+](=O)[O-])C2)cc1"}, {"compound_id": "LB-1C20F4570AF6", "smiles": "COc1ccc(C2CC(c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)=NN2C)cc1"}, {"compound_id": "LB-2FA9D8BDF717", "smiles": "COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1"}, {"compound_id": "LB-ABCFDDA8C4FB", "smiles": "COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1"}, {"compound_id": "LB-3BC96810928C", "smiles": "COc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)cc1"}, {"compound_id": "LB-361C0A9BCFBB", "smiles": "CC1=CC[C@@H]2[C@@H](O[C@H](c3ccc(F)cc3)OC2(C)C)[C@@H]1O"}, {"compound_id": "LB-F3E9704652D2", "smiles": "Cl.NCc1c(OCCCO)cccc1OCCCO"}, {"compound_id": "LB-74C127E904C3", "smiles": "Cl.NCc1c(OCCCCO)cccc1OCCCCO"}, {"compound_id": "LB-484055B3EBA9", "smiles": "COCc1cccc(COC)c1CN.Cl"}, {"compound_id": "LB-0849C715ABC5", "smiles": "COc1cccc(OC)c1CN.Cl"}, {"compound_id": "LB-4788EBAB4D0D", "smiles": "CCc1cccc(CC)c1CN.Cl"}, {"compound_id": "LB-E31905A93429", "smiles": "CCOc1cccc(OCC)c1CN.Cl"}, {"compound_id": "LB-8EB586412191", "smiles": "CCCc1cccc(CCC)c1CN.Cl"}, {"compound_id": "LB-B6D02B620108", "smiles": "CCCCc1cccc(CCCC)c1CN.Cl"}, {"compound_id": "LB-B86D6C4159BF", "smiles": "CCCOc1cccc(OCCC)c1CN.Cl"}, {"compound_id": "LB-D17B70EE0DEB", "smiles": "CCCCOc1cccc(OCCCC)c1CN.Cl"}, {"compound_id": "LB-852630F99C56", "smiles": "O=C1CC2(CCCCC2)CN1"}, {"compound_id": "LB-207C885D983F", "smiles": "Cl.c1ccc2c(SCCCN3CCCCC3)ncnc2c1"}, {"compound_id": "LB-3B866526E8B0", "smiles": "Cl.O=c1c2ccccc2ncn1CCCN1CCCCC1"}, {"compound_id": "LB-78D866D0765B", "smiles": "Cl.c1ccc2nc(SCCCN3CCCCC3)cnc2c1"}, {"compound_id": "LB-27C6C62C6897", "smiles": "COc1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)sc(=O)c2c1OC"}, {"compound_id": "LB-3E357F4B99BC", "smiles": "COc1ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)sc(=O)c2c1OC"}, {"compound_id": "LB-B4038C5684F0", "smiles": "COc1ccc2cc(C(=O)Nc3nc(-c4ccccc4)cs3)sc(=O)c2c1OC"}, {"compound_id": "LB-20177F7E00B8", "smiles": "O=C(Nc1cccc2ccccc12)c1cc2ccccc2c(=O)s1"}, {"compound_id": "LB-FF98211D0C02", "smiles": "[C-]#N.[K+]"}, {"compound_id": "LB-13731FBE8776", "smiles": "Cc1cc(O)c2c(c1)C(=O)c1c(I)c(O)c(I)c(O)c1C2=O"}, {"compound_id": "LB-167331D6F23B", "smiles": "O=C(CS(=O)(=O)c1ccccc1)c1ccccc1"}, {"compound_id": "LB-8FD5B74C279F", "smiles": "Cc1ccc(C(=O)CS(=O)(=O)c2ccccc2)cc1"}, {"compound_id": "LB-9A8668829713", "smiles": "O=C(CS(=O)(=O)c1ccccc1)c1ccc(Br)cc1"}, {"compound_id": "LB-0644C47BB70C", "smiles": "Cc1ccc(S(=O)(=O)CC(=O)c2ccc(Br)cc2)cc1"}, {"compound_id": "LB-C59BC5F26DF1", "smiles": "CC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)c1S(=O)(=O)c1ccccc1"}, {"compound_id": "LB-92EC207F1E43", "smiles": "CC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(C)cc2)c1S(=O)(=O)c1ccccc1"}, {"compound_id": "LB-5A3DDD7448A9", "smiles": "CC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Br)cc2)c1S(=O)(=O)c1ccccc1"}, {"compound_id": "LB-F41066853CBD", "smiles": "CC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Br)cc2)c1S(=O)(=O)c1ccc(C)cc1"}, {"compound_id": "LB-4EC55861B94C", "smiles": "O=S(=O)(C/C(=N/O)c1ccccc1)c1ccccc1"}, {"compound_id": "LB-5D85A1C50B70", "smiles": "Cc1ccc(/C(CS(=O)(=O)c2ccccc2)=N\\O)cc1"}, {"compound_id": "LB-C3F87C9B35DA", "smiles": "O=S(=O)(C/C(=N/Nc1ccccc1)c1ccccc1)c1ccccc1"}, {"compound_id": "LB-F05E51D83F54", "smiles": "Cc1ccc(/C(CS(=O)(=O)c2ccccc2)=N\\Nc2ccccc2)cc1"}, {"compound_id": "LB-B9BCEB642BF9", "smiles": "CCSc1nc(=O)c2ccccc2[nH]1"}, {"compound_id": "LB-C3FC5656BF7D", "smiles": "c1ccc(CN(Cc2ccccc2)c2nc(N(Cc3ccccc3)Cc3ccccc3)c3ccccc3n2)cc1"}, {"compound_id": "LB-C12922098576", "smiles": "O=C(c1cccs1)N1CCN(CCOc2ccc(Cl)cc2)CC1"}, {"compound_id": "LB-3D2F9BA5987F", "smiles": "CCOc1c(OCC(=O)N(CC)CC)ccc(CC(=O)OCC(F)(F)F)c1F"}, {"compound_id": "LB-234FAC472F4E", "smiles": "CCOc1c(OCC(=O)N(CC)CC)ccc(CC(=O)OC(C)C)c1F"}, {"compound_id": "LB-D5D7FB648F5C", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1F"}, {"compound_id": "LB-39A217A1E4CA", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1F"}, {"compound_id": "LB-E57C690062ED", "smiles": "CCN(CC)C(=O)COc1ccc(CC(=O)OC(C)C(F)(F)F)c(F)c1OC"}, {"compound_id": "LB-7B54286B7EAC", "smiles": "CCN(CC)C(=O)COc1ccc(CC(=O)OCC(F)(F)F)c(F)c1OC"}, {"compound_id": "LB-6BD1C83493FC", "smiles": "CCN(CC)C(=O)COc1ccc(CC(=O)OC(C)C)c(F)c1OC"}, {"compound_id": "LB-9B66828EF994", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1F"}, {"compound_id": "LB-6BAFE72188D9", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1F"}, {"compound_id": "LB-514C842BFBD6", "smiles": "CCOc1cc(CC(=O)OC(C)C(F)(F)F)c(F)cc1OCC(=O)N(CC)CC"}, {"compound_id": "LB-3B64A400D7BB", "smiles": "CCOc1cc(CC(=O)OCC(F)(F)F)c(F)cc1OCC(=O)N(CC)CC"}, {"compound_id": "LB-989B3BFA6930", "smiles": "CCOc1cc(CC(=O)OC(C)C)c(F)cc1OCC(=O)N(CC)CC"}, {"compound_id": "LB-CF4C571173B4", "smiles": "CCCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F"}, {"compound_id": "LB-A0A01A81E0B3", "smiles": "CCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F"}, {"compound_id": "LB-5F31E371C10B", "smiles": "CCN(CC)C(=O)COc1cc(F)c(CC(=O)OC(C)C(F)(F)F)cc1OC"}, {"compound_id": "LB-9C8A68627C55", "smiles": "CCN(CC)C(=O)COc1cc(F)c(CC(=O)OCC(F)(F)F)cc1OC"}, {"compound_id": "LB-8BECAD42EC39", "smiles": "CCN(CC)C(=O)COc1cc(F)c(CC(=O)OC(C)C)cc1OC"}, {"compound_id": "LB-081C0088CB61", "smiles": "CCCOC(=O)Cc1cc(OC)c(OCC(=O)N(CC)CC)cc1F"}, {"compound_id": "LB-243650AC6329", "smiles": "CCOC(=O)Cc1cc(OC)c(OCC(=O)N(CC)CC)cc1F"}, {"compound_id": "LB-BA833D863A05", "smiles": "CCOc1cc(CC(=O)OC(C)C(F)(F)F)cc(F)c1OCC(=O)N(CC)CC"}, {"compound_id": "LB-245E17075237", "smiles": "CCOc1cc(CC(=O)OCC(F)(F)F)cc(F)c1OCC(=O)N(CC)CC"}, {"compound_id": "LB-312EA5B7F7F2", "smiles": "CCOc1cc(CC(=O)OC(C)C)cc(F)c1OCC(=O)N(CC)CC"}, {"compound_id": "LB-FBF45E03E090", "smiles": "CCCOC(=O)Cc1cc(F)c(OCC(=O)N(CC)CC)c(OCC)c1"}, {"compound_id": "LB-FDA15D9A75DA", "smiles": "CCOC(=O)Cc1cc(F)c(OCC(=O)N(CC)CC)c(OCC)c1"}, {"compound_id": "LB-02F1C83AFD6E", "smiles": "CCN(CC)C(=O)COc1c(F)cc(CC(=O)OC(C)C(F)(F)F)cc1OC"}, {"compound_id": "LB-F88BD703C3F2", "smiles": "CCN(CC)C(=O)COc1c(F)cc(CC(=O)OCC(F)(F)F)cc1OC"}, {"compound_id": "LB-21409E10D61C", "smiles": "CCN(CC)C(=O)COc1c(F)cc(CC(=O)OC(C)C)cc1OC"}, {"compound_id": "LB-8CF4483F2D55", "smiles": "CCCOC(=O)Cc1cc(F)c(OCC(=O)N(CC)CC)c(OC)c1"}, {"compound_id": "LB-A8602104FECC", "smiles": "CCOC(=O)Cc1cc(F)c(OCC(=O)N(CC)CC)c(OC)c1"}, {"compound_id": "LB-499390EA531B", "smiles": "CCOc1c(OCC(=O)N(CC)CC)ccc(CC(=O)OC(C)C(F)(F)F)c1F"}, {"compound_id": "LB-D5D10600682E", "smiles": "CCCCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F"}, {"compound_id": "LB-42961E2D81D8", "smiles": "CCOc1cc(CC(=O)OC(C)CC)c(F)cc1OCC(=O)N(CC)CC"}, {"compound_id": "LB-7572207B9177", "smiles": "CCCOc1cc(CC(=O)OC(C)C)c(F)cc1OCC(=O)N(CC)CC"}, {"compound_id": "LB-73091CC99E93", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1"}, {"compound_id": "LB-194EC3292AE6", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1"}, {"compound_id": "LB-680FF6E7CCB9", "smiles": "CCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(N)=O"}, {"compound_id": "LB-C4DEB718FD73", "smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1"}, {"compound_id": "LB-4D3D70CE0CA8", "smiles": "CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"}, {"compound_id": "LB-F4AD55A1196C", "smiles": "CN(C)CCNC(=O)c1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1"}, {"compound_id": "LB-B4D7B4B84594", "smiles": "C(=C/c1cncnc1-c1ccc(-c2cccs2)s1)\\c1ccc(-c2ccccc2)cc1"}, {"compound_id": "LB-310BB6F39927", "smiles": "C1=CCSC(C2=CC=C(c3ncncc3/C=C/c3ccccc3)CS2)=C1"}, {"compound_id": "LB-8EABC3B868BF", "smiles": "NNC(=O)c1ccncc1"}, {"compound_id": "LB-129CE5FE0CB4", "smiles": "Brc1cncnc1C1=CC=C(C2=CC=CCS2)SC1"}, {"compound_id": "LB-E13B41DABA64", "smiles": "Brc1cncnc1-c1cccs1"}, {"compound_id": "LB-CEF6922D4673", "smiles": "Brc1cncnc1-c1ccco1"}, {"compound_id": "LB-3238917A0A99", "smiles": "NC(=O)c1cnccn1"}, {"compound_id": "LB-54F4FAA147A6", "smiles": "CCN(CC)CC(=O)Nc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1"}, {"compound_id": "LB-9D29DB6E7F31", "smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@@H]1c1ncc(C#CC#Cc2ccc(-c3cnc([C@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2)[nH]1)C(C)C.Cl"}, {"compound_id": "LB-91ED76FA454A", "smiles": "COC(=O)[C@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"}, {"compound_id": "LB-B4774E9F6B51", "smiles": "COC(=O)[C@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)CCC(=O)OCCCCOc5no[n+]([O-])c5S(=O)(=O)c5ccccc5)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24"}, {"compound_id": "LB-5ACCD76B7083", "smiles": "CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1"}, {"compound_id": "LB-72C376BCEBC2", "smiles": "O=C(NCCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12"}, {"compound_id": "LB-8AE763394120", "smiles": "COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)c(OC)c1"}, {"compound_id": "LB-D76DB6E3A028", "smiles": "COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1ccc(OC)c(OC)c1"}, {"compound_id": "LB-16D64BD55BB0", "smiles": "COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1"}, {"compound_id": "LB-2F0311D73061", "smiles": "COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1"}, {"compound_id": "LB-D3BAECB3E171", "smiles": "COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)c(OC)c1"}, {"compound_id": "LB-943DAE17EDEB", "smiles": "CCOC(=O)c1c(C)nc2oc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1"}, {"compound_id": "LB-780B5490295A", "smiles": "Cc1cc(=O)oc2cc(OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12"}, {"compound_id": "LB-022A76D4D75D", "smiles": "O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12"}, {"compound_id": "LB-CF9F136C8342", "smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)[se]c2cc(O)ccc12"}, {"compound_id": "LB-B18C27394E46", "smiles": "CNCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)[se]c3cc(O)ccc23)cc1.Cl"}, {"compound_id": "LB-4546351CF031", "smiles": "CN(C)CCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)[se]c3cc(O)ccc23)cc1.Cl"}, {"compound_id": "LB-92D0B0A5497B", "smiles": "C[N+](C)(C)CCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)[se]c3cc(O)ccc23)cc1.[Cl-]"}, {"compound_id": "LB-1964A0BDAFF8", "smiles": "CCCCCCCCN(C)CCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)[se]c3cc(O)ccc23)cc1.Cl"}, {"compound_id": "LB-BAB58F4AC343", "smiles": "Cl.O=C(c1ccc(OCCN2CCCC2)cc1)c1c(-c2ccc(O)cc2)[se]c2cc(O)ccc12"}, {"compound_id": "LB-6A9814C675BF", "smiles": "Cl.O=C(c1ccc(OCCN2CCCCCC2)cc1)c1c(-c2ccc(O)cc2)[se]c2cc(O)ccc12"}, {"compound_id": "LB-3DE6BC98DDF3", "smiles": "Cl.O=C(c1ccc(OCCN2CCOCC2)cc1)c1c(-c2ccc(O)cc2)[se]c2cc(O)ccc12"}, {"compound_id": "LB-490B10FABFCE", "smiles": "CN(C)CCOc1ccc(C(=O)c2c(-c3ccc(F)cc3)[se]c3cc(F)ccc23)cc1.Cl"}, {"compound_id": "LB-17E4D430A9BE", "smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(F)cc2)[se]c2cc(F)ccc12"}, {"compound_id": "LB-33F88926B760", "smiles": "Cl.O=C(c1ccc(OCCN2CCOCC2)cc1)c1c(-c2ccc(F)cc2)[se]c2cc(F)ccc12"}, {"compound_id": "LB-7CC4F621E60D", "smiles": "CN(C)CCOc1ccc(C(=O)c2[se]c3cc(O)ccc3c2-c2ccc(O)cc2)cc1.Cl"}, {"compound_id": "LB-DAFB9865C6AB", "smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1[se]c2cc(O)ccc2c1-c1ccc(O)cc1"}, {"compound_id": "LB-0C58C292CB62", "smiles": "Cl.O=C(c1ccc(OCCN2CCOCC2)cc1)c1[se]c2cc(O)ccc2c1-c1ccc(O)cc1"}, {"compound_id": "LB-F1B4E4395F94", "smiles": "Cc1nc(-c2ccccc2)nc(OCCCN2CCCCC2)c1Cl"}, {"compound_id": "LB-8F3CA63DF2A8", "smiles": "Cc1ccc(-c2nc(C)c(Cl)c(OCCCN3CCCCC3)n2)cc1"}, {"compound_id": "LB-E1F5672EBD1E", "smiles": "Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(OCCCN2CCCCC2)c1Cl"}, {"compound_id": "LB-64E96E39BF68", "smiles": "Cc1nc(-c2ccc(F)cc2)nc(OCCCN2CCCCC2)c1Cl"}, {"compound_id": "LB-C50F0C32C602", "smiles": "Cc1nc(-c2ccc(F)c(F)c2)nc(OCCCN2CCCCC2)c1Cl"}, {"compound_id": "LB-E1CD05337D2D", "smiles": "COc1cc2c(c(OC)c1OC)-c1cc3cc(CO)oc3cc1[C@@H](NC(C)=O)CC2"}, {"compound_id": "LB-C6F8A8CD932E", "smiles": "O=C(CCc1ccccc1)NNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1"}, {"compound_id": "LB-C71E5602D2F0", "smiles": "CCC(=O)NNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1"}, {"compound_id": "LB-A910D2570F04", "smiles": "CC(=O)NNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1"}, {"compound_id": "LB-ABF5991765F2", "smiles": "CCC(=O)NNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccccc1"}, {"compound_id": "LB-D4C61F59127F", "smiles": "O=C1OCCN1CCCN1C(=O)c2ccccc2C1=O"}, {"compound_id": "LB-2952843047BA", "smiles": "O=C(O)CN(CCc1ccccc1)CCN(CC(=O)O)CC(=O)O"}, {"compound_id": "LB-C007FC54C975", "smiles": "COc1ccc(C(=O)CSS(=O)(=O)c2ccccc2)cc1"}, {"compound_id": "LB-C3D4247616ED", "smiles": "CS(=O)(=O)SCCOC(=O)Nc1ccccc1"}, {"compound_id": "LB-85C6BD8B430D", "smiles": "O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1"}, {"compound_id": "LB-DE4CCBF6C997", "smiles": "NC(=O)CCNCCSC(=O)c1ccccc1"}, {"compound_id": "LB-FDD60D709239", "smiles": "O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1"}, {"compound_id": "LB-F1D3618ED6E6", "smiles": "COc1cc(NCCCCN)c2nccc(C)c2c1"}, {"compound_id": "LB-819AC8265643", "smiles": "CC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1"}, {"compound_id": "LB-F3215097379D", "smiles": "Nc1ccc(S(=O)(=O)NCC(O)CO)cc1"}, {"compound_id": "LB-E0974B4C34D8", "smiles": "CC(=O)NC1=C(NCCO)C(=O)c2ccccc2C1=O"}, {"compound_id": "LB-0787A55D0DB6", "smiles": "O=C1CC(NCC(SP(=O)(O)O)c2ccccc2)C(=O)N1"}, {"compound_id": "LB-90981E2139B9", "smiles": "C[n+]1ccccc1C=NO"}, {"compound_id": "LB-33AF6CC834C5", "smiles": "COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1"}, {"compound_id": "LB-EF75D1AC0D9A", "smiles": "CSc1nccc(N2CCC(N(C)Cc3ccc(C#N)cc3)CC2)n1"}, {"compound_id": "LB-74B7D550E0ED", "smiles": "c1ccc2c(-c3cncnc3)csc2c1"}, {"compound_id": "LB-98D066E37C5F", "smiles": "c1csc(-c2ccc(-c3ncncc3-c3cccs3)s2)c1"}, {"compound_id": "LB-D0482B9B6553", "smiles": "c1csc(-c2ccc(-c3ncncc3-c3csc4ccccc34)s2)c1"}, {"compound_id": "LB-C9B48C42C5E8", "smiles": "c1ccc(-c2ccc(-c3ncncc3-c3csc4ccccc34)s2)cc1"}, {"compound_id": "LB-12D5D7CED4A9", "smiles": "COc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)C(=O)O"}, {"compound_id": "LB-9F579A11751B", "smiles": "COc1ccc(Cl)c(C)c1C(=O)O[C@@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3CCC[C@@H]4[C@@H]3C=C[C@H]3CCCC/C=C/[C@@H]5C=C(C(=O)O)[C@H](C)C[C@]56OC(=O)C(=C6O)OC(=O)[C@@]43C)C(O)[C@@H]2O)O[C@H](C)[C@H]1O"}, {"compound_id": "LB-32E9702CDCC8", "smiles": "CC1(C)CC[C@]23CC[C@@]4(C)[C@]5(C)CC[C@H]6C(C)(C)C(=O)C(C#N)=C[C@]6(C)C5=CC(=O)[C@@]4([C@@H]2C1)N(C1CCCCC1)C3=O"}, {"compound_id": "LB-C42E9AEBD8C8", "smiles": "Cc1nc(C(=O)OCCCOC(=O)c2cc3c4ccccc4n(C)c3c(C)n2)cc2c3ccccc3n(C)c12"}, {"compound_id": "LB-6E0812561ECC", "smiles": "CCCCn1c2ccccc2c2cc(C(=O)OCCCCCCOC(=O)c3cc4c5ccccc5n(CCCC)c4cn3)ncc21"}, {"compound_id": "LB-74EEEADA58AA", "smiles": "O=C(OCCCCCCOC(=O)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1"}, {"compound_id": "LB-6D309A516442", "smiles": "COc1ccc(-c2nc(C(=O)OCCCCCCOC(=O)c3cc4c5ccccc5n(CCCc5ccccc5)c4c(-c4ccc(OC)cc4)n3)cc3c4ccccc4n(CCCc4ccccc4)c23)cc1"}, {"compound_id": "LB-70DFF3FB41E6", "smiles": "CCCCn1c2ccccc2c2cc(C(=O)O)ncc21"}, {"compound_id": "LB-6A4CF81B1B60", "smiles": "O=C(O)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1"}, {"compound_id": "LB-02DA7AB4EF08", "smiles": "CN1C=C(C(N)=O)[C@@H]2C[C@H](O)[C@@](NC(=O)CS(N)(=O)=O)(C(=O)O)[C@@H]2C1"}, {"compound_id": "LB-3AE4AB55F472", "smiles": "CC(C)c1ccc(O)c(=O)c(O)c1"}, {"compound_id": "LB-3E69DF06352A", "smiles": "CCCNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)cn2n1"}, {"compound_id": "LB-24EEA1D5456C", "smiles": "COc1ncc(-c2ccc3nc(NC(=O)NC4CC4)nn3c2)cc1NS(=O)(=O)c1ccc(F)cc1"}, {"compound_id": "LB-A87027B41818", "smiles": "CCN(CC)CCNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)cn2n1"}, {"compound_id": "LB-F2DCDD6A9F71", "smiles": "COc1ncc(-c2ccc3nc(NC(C)=O)nn3c2)cc1NS(=O)(=O)c1ccc(F)cc1"}, {"compound_id": "LB-83798F45A6C1", "smiles": "C[C@H]1COc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.N=C(N)NCCC[C@H](N)C(=O)O.O"}, {"compound_id": "LB-F2152DC8F354", "smiles": "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.O"}, {"compound_id": "LB-8D01BC874597", "smiles": "CNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1"}, {"compound_id": "LB-810F3FE0DBB5", "smiles": "CCN(CC)CCNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1"}, {"compound_id": "LB-031CAC9AF969", "smiles": "COc1ncc(-c2ccc3nc(NC(=O)NCCN4CCCC4)sc3c2)cc1NS(=O)(=O)c1ccc(F)cc1"}, {"compound_id": "LB-AAA72AEFF202", "smiles": "COc1ncc(-c2ccc3nc(NC(=O)NCCN4CCN(C)CC4)sc3c2)cc1NS(=O)(=O)c1ccc(F)cc1"}, {"compound_id": "LB-6E756F15ED48", "smiles": "CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1"}, {"compound_id": "LB-0C338521173B", "smiles": "Clc1ccc(C2=NNC(c3cn(-c4ccccc4)nc3-c3ccc(Cl)c(Cl)c3)C2)cc1"}, {"compound_id": "LB-B07BD72ECDDC", "smiles": "Fc1ccc(C2=NNC(c3cn(-c4ccccc4)nc3-c3ccc(Cl)c(Cl)c3)C2)cc1"}, {"compound_id": "LB-61F466E17376", "smiles": "Cc1ccc(C2=NNC(c3cn(-c4ccccc4)nc3-c3ccc(Cl)c(Cl)c3)C2)cc1"}, {"compound_id": "LB-3F2BAB30CDE1", "smiles": "O=CN1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1"}, {"compound_id": "LB-210F7D0BC440", "smiles": "O=CN1N=C(c2ccc(F)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1"}, {"compound_id": "LB-A1391A92CC88", "smiles": "Cc1ccc(C2=NN(C=O)C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)c(Cl)c3)C2)cc1"}, {"compound_id": "LB-EE329778BED2", "smiles": "CC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1"}, {"compound_id": "LB-0FDA4133D842", "smiles": "CC(=O)N1N=C(c2ccc(F)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1"}, {"compound_id": "LB-195D56BD9EA6", "smiles": "CC(=O)N1N=C(c2ccc(C)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1"}, {"compound_id": "LB-C1C7E1737253", "smiles": "CCC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1"}, {"compound_id": "LB-A891FC11BCFC", "smiles": "CCC(=O)N1N=C(c2ccc(F)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1"}, {"compound_id": "LB-79DEA46FF6AF", "smiles": "CCC(=O)N1N=C(c2ccc(C)cc2)CC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1"}, {"compound_id": "LB-D39687BB0541", "smiles": "Clc1ccc(C2=NN(c3ccccc3)C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)c(Cl)c3)C2)cc1"}, {"compound_id": "LB-D45821D4182A", "smiles": "Fc1ccc(C2=NN(c3ccccc3)C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)c(Cl)c3)C2)cc1"}, {"compound_id": "LB-79B40F6A858E", "smiles": "Cc1ccc(C2=NN(c3ccccc3)C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)c(Cl)c3)C2)cc1"}, {"compound_id": "LB-2D4E585883D2", "smiles": "O=[N+]([O-])c1ccc(N2N=C(c3ccc(Cl)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccc(Cl)c(Cl)c2)cc1"}, {"compound_id": "LB-128D17850BF7", "smiles": "O=[N+]([O-])c1ccc(N2N=C(c3ccc(F)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccc(Cl)c(Cl)c2)cc1"}, {"compound_id": "LB-3AAD16FD057B", "smiles": "Cc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)c(Cl)c3)C2)cc1"}, {"compound_id": "LB-948F2FFAE838", "smiles": "CC1=CN=C(C)C1C(=O)O[C@@H](C)C1=CC[C@@]23OCCN(C)C[C@@]12C[C@@H](O)[C@]12O[C@@]4(O)CC[C@@]1(C)[C@H](CC=C32)C4"}, {"compound_id": "LB-B4DC026C8315", "smiles": "CC[N+](CC)(CCCCCn1c(C)cc(=O)n(CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])c1=O)Cc1ccccc1[N+](=O)[O-].[Br-].[Br-]"}, {"compound_id": "LB-DDCC4C242DFC", "smiles": "CC[N+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC[N+](CC)(Cc2ccccc2[N+](=O)[O-])Cc2ccc(cc2)C1.[Br-].[Br-]"}, {"compound_id": "LB-C97A77A3571B", "smiles": "COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(N)(=O)=O)CC[C@@H]12"}, {"compound_id": "LB-1596E762C746", "smiles": "O=C(c1ccc(F)cc1F)C1CCN(CCCOc2ccc(-c3nc4ccccc4o3)cc2)CC1"}, {"compound_id": "LB-7EC780B32A7B", "smiles": "Fc1ccc2c(C3CCN(CCCOc4ccc(CCc5nc6ccccc6o5)cc4)CC3)noc2c1"}, {"compound_id": "LB-89645DF747F5", "smiles": "CC(c1ccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)cc1)c1nc2ccccc2o1"}, {"compound_id": "LB-14CEF39D9136", "smiles": "Nc1c2c(nc3cc(Cl)ccc13)CCCC2"}, {"compound_id": "LB-F3AC351A0707", "smiles": "Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](C[C@@H]2CCCNC2=O)[C@@H](O)C#N)no1"}, {"compound_id": "LB-D77FAD647A38", "smiles": "COc1ccc(-c2nc(NC(=O)NCCCC(=O)NO)cc3c2[nH]c2ccccc23)cc1"}, {"compound_id": "LB-54EB73761C64", "smiles": "CCOC(=O)C1=C(C)N2CCCC(=O)N=C2S1"}, {"compound_id": "LB-68785106FA2B", "smiles": "CC1=C(Br)SC2=NC(=O)CCCN21"}, {"compound_id": "LB-AAE39FD83932", "smiles": "CC1(C)[C@H]2O[C@H]2[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O"}, {"compound_id": "LB-42005DE31554", "smiles": "CC1(C)[C@@H](O)[C@H](O)[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O"}, {"compound_id": "LB-98913DA58F14", "smiles": "N=C(N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1"}, {"compound_id": "LB-339F8C870F65", "smiles": "COc1ccc(C2C(=O)c3ccc(OC)cc3C2c2ccccc2)cc1"}, {"compound_id": "LB-214E473132C9", "smiles": "CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1"}, {"compound_id": "LB-730F918A5863", "smiles": "O=C(/C=C/c1ccccn1)c1nc2ccccc2[nH]1"}, {"compound_id": "LB-4DCD0C8CD271", "smiles": "O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1"}, {"compound_id": "LB-ECD2EB646285", "smiles": "COc1cccc(/C=C/C(=O)c2nc3ccccc3[nH]2)c1"}, {"compound_id": "LB-7E4A67C8FFEE", "smiles": "CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1cccc2c1ccn2-c1ccccc1C(=O)O"}, {"compound_id": "LB-77A1AD398E5A", "smiles": "O=C(O)c1c(O)c(F)c(F)c(F)c1F"}, {"compound_id": "LB-86F83EFEE136", "smiles": "Nc1ccc(C(=O)O)c(O)c1"}, {"compound_id": "LB-6C90EC439A30", "smiles": "O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(Cl)cc1"}, {"compound_id": "LB-9F73D0A6B99A", "smiles": "O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)c(Cl)c1"}, {"compound_id": "LB-E46ACF751C3F", "smiles": "O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)c(F)c1"}, {"compound_id": "LB-C8628D696029", "smiles": "CC1CCN(CCCOc2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1"}, {"compound_id": "LB-F8B0FC173D1B", "smiles": "CC1CCN(CCCOc2ccc(=O)n(-c3ccc(Cl)c(Cl)c3)n2)CC1"}, {"compound_id": "LB-39136915419B", "smiles": "CC1CCN(CCCOc2ccc(=O)n(-c3ccc(F)c(Cl)c3)n2)CC1"}, {"compound_id": "LB-803AB093D134", "smiles": "CC1CCN(CCCOc2ccc(=O)n(-c3ccc(F)c(F)c3)n2)CC1"}, {"compound_id": "LB-3502A51BCEF5", "smiles": "c1nnc2nnc(N3CCOCC3)nn12"}, {"compound_id": "LB-5589A7EBDBFD", "smiles": "Fc1cc(F)cc(-c2cncnc2)c1"}, {"compound_id": "LB-94F472FCA569", "smiles": "c1ccc(-c2cncnc2-c2ccco2)cc1"}, {"compound_id": "LB-DC2E0B0452DC", "smiles": "FC(F)(F)c1ccc(-c2cncnc2-c2ccco2)c(C(F)(F)F)c1"}, {"compound_id": "LB-F8FD42C10638", "smiles": "Cc1c(OC(=O)N(C)C)c2c(c[n+]1C)COCOC2.[Br-]"}, {"compound_id": "LB-7E3DEDF272F9", "smiles": "Cc1c(OC(=O)N(C)C)c2c(c[n+]1C)COC(C)OC2.[Br-]"}, {"compound_id": "LB-11DF7E8E4B7D", "smiles": "Cc1c(OC(=O)N(C)C)c2c(c[n+]1C)COC(C)(C)OC2.[Br-]"}, {"compound_id": "LB-66D7369888EF", "smiles": "CCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1.[Br-]"}, {"compound_id": "LB-02F22EDD49E5", "smiles": "CCCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1.[Br-]"}, {"compound_id": "LB-0D1EB637F1CC", "smiles": "Cc1c(OC(=O)N(C)C)c2c(c[n+]1C)COC(C(C)C)OC2.[Br-]"}, {"compound_id": "LB-19BDE9D7A71A", "smiles": "Cc1c(OC(=O)N(C)C)c2c(c[n+]1C)COC(C(C)(C)C)OC2.[Br-]"}, {"compound_id": "LB-FB0A8C773341", "smiles": "CCCCCCCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1.[Br-]"}, {"compound_id": "LB-94513920136E", "smiles": "CCCCCCCCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1.[Br-]"}, {"compound_id": "LB-A26B9BA6C069", "smiles": "CCCCCCCCCC(C)C1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1.[Br-]"}, {"compound_id": "LB-8B791425747A", "smiles": "CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-]"}, {"compound_id": "LB-154EC5856550", "smiles": "COc1cc(O)cc(O)c1C(=O)CC(C)C"}, {"compound_id": "LB-270FC369F8BF", "smiles": "Fc1ccc(NCCNc2ccnc3cc(Cl)ccc23)c(F)c1"}, {"compound_id": "LB-6E7204137A61", "smiles": "Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1"}, {"compound_id": "LB-4AC5BDC950C3", "smiles": "COc1ccc(OC)c(Nc2ccnc3cc(Cl)ccc23)c1"}, {"compound_id": "LB-F1348D8AAD0B", "smiles": "Clc1ccc2c(NCCNc3ccc(Br)cc3)ccnc2c1"}, {"compound_id": "LB-F80C28B75657", "smiles": "C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1"}, {"compound_id": "LB-2E1037EE9F79", "smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc2c(ccn2-c2ccccc2-c2nnn[nH]2)c1"}, {"compound_id": "LB-C31B07D81C81", "smiles": "N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCF)cc1"}, {"compound_id": "LB-DBAEB9BF8ABE", "smiles": "N#Cc1cccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCF)c1"}, {"compound_id": "LB-AB88D430E057", "smiles": "N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCF"}, {"compound_id": "LB-5F52DECE4651", "smiles": "N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCCl"}, {"compound_id": "LB-147B55D59DB0", "smiles": "N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCl"}, {"compound_id": "LB-9881D0D08ABF", "smiles": "N#Cc1cccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCl)c1"}, {"compound_id": "LB-DB487C44F71C", "smiles": "CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1cccnc1)[C@@H]23"}, {"compound_id": "LB-1A37AE0E0073", "smiles": "CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H]23"}, {"compound_id": "LB-6CF19C8FC9B0", "smiles": "NC1C2CC3CC(C2)CC1C3"}, {"compound_id": "LB-F967B88B2E0B", "smiles": "COc1cc2c(cc1OC)C(=O)C(Cc1cc[n+](Cc3cccc(Cl)c3)cc1C(N)=O)C2.[Br-]"}, {"compound_id": "LB-117F85885036", "smiles": "COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2"}, {"compound_id": "LB-0CB91FA2E2E7", "smiles": "CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1"}, {"compound_id": "LB-8170A41A0390", "smiles": "CC1(C)CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)OC6CCN(/[N+]([O-])=N/O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-3C8644D2E996", "smiles": "COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2"}, {"compound_id": "LB-CA32B9D3A51A", "smiles": "COC(=O)[C@@H](N)CCC(=O)Nc1ccc(COC2=C(C#N)[C@H](O)[C@]3(C)C4=CC(=O)[C@@H]5[C@@H]6CC(C)(C)CC[C@]6(C(=O)OC)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1"}, {"compound_id": "LB-ED43B8BD3370", "smiles": "C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O"}, {"compound_id": "LB-C11B8BD6D11A", "smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O"}, {"compound_id": "LB-875091A3DBAE", "smiles": "NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O"}, {"compound_id": "LB-5AB34A796653", "smiles": "NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-CD636DE8D2E8", "smiles": "NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O"}, {"compound_id": "LB-2AE18BD15A34", "smiles": "Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)c1[N+](=O)[O-]"}, {"compound_id": "LB-0E139E745DA5", "smiles": "Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(=O)NC(C)C)ccc4[nH]3)cc2)c1[N+](=O)[O-]"}, {"compound_id": "LB-1DE31F9FDFDF", "smiles": "O=[N+]([O-])c1ccc(-c2ncncc2Br)o1"}, {"compound_id": "LB-109BF24ECD8A", "smiles": "O=[N+]([O-])c1ccc(-c2ncncc2-c2ccccc2)o1"}, {"compound_id": "LB-5B3CB90FF28A", "smiles": "Cc1nc(C)c(/C=C/C(=O)N2CCC=C(Cl)C2=O)nc1C"}, {"compound_id": "LB-0A2436DD5C3C", "smiles": "C[C@]12CC[C@H](OC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)OCc3ccccc3)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C(=O)[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O"}, {"compound_id": "LB-5D0DE5A492B6", "smiles": "C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C(=O)[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O"}, {"compound_id": "LB-875EC3791C6B", "smiles": "C=C[C@@]12CN(C)[C@H]3C[C@]14C(=Nc1ccccc14)[C@H]1C[C@@H]2[C@@H]3CO1"}, {"compound_id": "LB-795306033F2E", "smiles": "CC[C@@H](C)c1cccc([C@H](C)CC)c1O"}, {"compound_id": "LB-C17568D56A98", "smiles": "CCC(C)c1cccc(C(C)C2CC2)c1O"}, {"compound_id": "LB-3D0C70087F3A", "smiles": "CC[C@@H](C)c1cccc([C@H](C)C2CC2)c1O"}, {"compound_id": "LB-2342194A6C2C", "smiles": "CC[C@H](C)c1cccc([C@H](C)C2CC2)c1O"}, {"compound_id": "LB-F794B8A6663F", "smiles": "CC[C@@H](C)c1cccc([C@@H](C)C2CC2)c1O"}, {"compound_id": "LB-5B9DA82B4FF6", "smiles": "CC[C@H](C)c1cccc([C@@H](C)C2CC2)c1O"}, {"compound_id": "LB-C7964E91A792", "smiles": "C[C@@H](c1cccc([C@H](C)C2CC2)c1O)C1CC1"}, {"compound_id": "LB-DA8FD332AD38", "smiles": "C[C@H](c1cccc([C@H](C)C2CC2)c1O)C1CC1"}, {"compound_id": "LB-3CC7D9A2C75F", "smiles": "C[C@H](c1cccc([C@@H](C)C2CC2)c1O)C1CC1"}, {"compound_id": "LB-AF76A67322E5", "smiles": "CC(c1ccccc1O)C1CC1"}, {"compound_id": "LB-690F3A8A567D", "smiles": "Cc1cccc(C(C)C2CC2)c1O"}, {"compound_id": "LB-DE2DDB1A4D7B", "smiles": "CCc1cccc(C(C)C2CC2)c1O"}, {"compound_id": "LB-CAC18CAC94FC", "smiles": "CC(C)c1cccc(C(C)C2CC2)c1O"}, {"compound_id": "LB-6730BCA37002", "smiles": "CC(C)c1cccc([C@H](C)C2CC2)c1O"}, {"compound_id": "LB-E86E6C7B97A6", "smiles": "CC(C)c1cccc([C@@H](C)C2CC2)c1O"}, {"compound_id": "LB-E484903F1EFE", "smiles": "CC(c1cccc(C2CC2)c1O)C1CC1"}, {"compound_id": "LB-44FC053B9BEE", "smiles": "CC(c1cccc(C2(C)CC2)c1O)C1CC1"}, {"compound_id": "LB-382B3A115AF9", "smiles": "COc1cccc(C(C)C2CC2)c1O"}, {"compound_id": "LB-3A52B383A031", "smiles": "CCC(c1cccc(C(C)C)c1O)C1CC1"}, {"compound_id": "LB-738F25E3C155", "smiles": "CC(C)c1cccc(C(C)C2CCC2)c1O"}, {"compound_id": "LB-D53E9BDFB23B", "smiles": "CC(C)c1cccc([C@H](C)C2CCC2)c1O"}, {"compound_id": "LB-775F335C6EAB", "smiles": "CC(C)c1cccc([C@@H](C)C2CCC2)c1O"}, {"compound_id": "LB-90122EBEF98A", "smiles": "CC(C)c1cccc(C(C)C2CCCC2)c1O"}, {"compound_id": "LB-66B8EAF828AE", "smiles": "CCC(c1cccc(C(C)C2CC2)c1O)C1CC1"}, {"compound_id": "LB-EDF4C82C6B27", "smiles": "CC(c1cccc(C(C2CC2)C2CC2)c1O)C1CC1"}, {"compound_id": "LB-A864720CD3BA", "smiles": "CC[C@@H](C)c1cccc([C@H](C)C2CC2)c1OCOP(=O)([O-])[O-].[Na+].[Na+]"}, {"compound_id": "LB-379ABEA581CF", "smiles": "CC[C@H](C)c1cccc([C@H](C)C2CC2)c1OCOP(=O)([O-])[O-].[Na+].[Na+]"}, {"compound_id": "LB-BC26170F53A4", "smiles": "C[C@@H](c1cccc([C@H](C)C2CC2)c1OCOP(=O)([O-])[O-])C1CC1.[Na+].[Na+]"}, {"compound_id": "LB-F1599D874C4F", "smiles": "C[C@H](c1cccc([C@H](C)C2CC2)c1OCOP(=O)([O-])[O-])C1CC1.[Na+].[Na+]"}, {"compound_id": "LB-0BA9304DCA06", "smiles": "C[C@H](c1cccc([C@@H](C)C2CC2)c1OCOP(=O)([O-])[O-])C1CC1.[Na+].[Na+]"}, {"compound_id": "LB-2062F510911D", "smiles": "CC(C)c1cccc([C@H](C)C2CC2)c1OCOP(=O)([O-])[O-].[Na+].[Na+]"}, {"compound_id": "LB-40114A70970F", "smiles": "CC(C)c1cccc([C@@H](C)C2CC2)c1OCOP(=O)([O-])[O-].[Na+].[Na+]"}, {"compound_id": "LB-180051E970B2", "smiles": "CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(/C=C/c4c(Cl)cccc4Cl)oc23)[C@H](O)C1"}, {"compound_id": "LB-16B873788F40", "smiles": "CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1"}, {"compound_id": "LB-E02B358B7DAE", "smiles": "O=C(NC1CCNCC1)c1c[nH]nc1NC(=O)c1c(Cl)cccc1Cl"}, {"compound_id": "LB-ABB4D42698C9", "smiles": "CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-6F71EC5E30E3", "smiles": "CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-19B6B8D86E48", "smiles": "CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O"}, {"compound_id": "LB-46D6777DA78F", "smiles": "CCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O"}, {"compound_id": "LB-D219F0FC573E", "smiles": "CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-13198CA299B9", "smiles": "CC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-DBE59BB8F21A", "smiles": "CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-6165BE44473C", "smiles": "CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-2C58EE1241DE", "smiles": "CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-FEB8A8F84D88", "smiles": "CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-F44C9FA67E9C", "smiles": "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O"}, {"compound_id": "LB-108C2E123DAA", "smiles": "CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@@]2(CC(=O)CC[C@]12C)OO3"}, {"compound_id": "LB-7B78D12CADC2", "smiles": "CCCCCCN(Cc1cccc2ccccc12)C(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F"}, {"compound_id": "LB-3D3AEA66E9F4", "smiles": "Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)c1/C=N/NC(N)=O"}, {"compound_id": "LB-B94FC9BFAB73", "smiles": "CCC(C)CCC(O)CC(=O)N[C@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O"}, {"compound_id": "LB-09C10A5772F1", "smiles": "Cc1nccc2c3ccccc3n(CCCCOc3ccc4c5ccnc(C)c5n(CCCc5ccccc5)c4c3)c12.Cl"}, {"compound_id": "LB-E5C4A8ED43A0", "smiles": "CCCCn1c2cc(OCCCCn3c4ccccc4c4ccnc(C)c43)ccc2c2ccnc(C)c21.Cl"}, {"compound_id": "LB-40305945DCBD", "smiles": "Cc1nccc2c3ccc(OCCCCn4c5ccccc5c5ccncc54)cc3n(CCCc3ccccc3)c12.Cl"}, {"compound_id": "LB-7E76E528D355", "smiles": "COc1ccc(-c2nccc3c4ccccc4n(CCCCOc4ccc5c6ccnc(C)c6n(CCCc6ccccc6)c5c4)c23)cc1.Cl"}, {"compound_id": "LB-A1011E97A971", "smiles": "Cc1nccc2c3ccc(OCCCCn4c5ccccc5c5ccnc(-c6cccs6)c54)cc3n(CCCc3ccccc3)c12.Cl"}, {"compound_id": "LB-1704E383BB3E", "smiles": "COc1ccc2c3ccnc(C)c3n(CCCCOc3ccc4c5ccnc(C)c5n(CCCc5ccccc5)c4c3)c2c1.Cl"}, {"compound_id": "LB-DF6CCAE4E300", "smiles": "C=C1[C@H]2C[C@@]3([C@@H]1OC(C)=O)[C@@H](CC2=O)[C@@]12[C@@H](OC(C)=O)CC[C@@]4(C)CN(CC)[C@@H]1[C@@H]3C[C@H]42"}, {"compound_id": "LB-11256B75EB98", "smiles": "C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](CC2=O)[C@]12[C@@H]4C[C@H]3[C@H]1N(CC)C[C@]4(C)CC[C@@H]2O"}, {"compound_id": "LB-423B7E53F422", "smiles": "C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](CC2=O)[C@@]12[C@@H](OC(C)=O)CC[C@@]4(C)CN(CC)[C@@H]1[C@@H]3C[C@H]42"}, {"compound_id": "LB-888FD03F2E8D", "smiles": "C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](CC2=O)[C@@]12[C@@H](OC(=O)c4ccccc4)CC[C@@]4(C)CN(CC)[C@@H]1[C@@H]3C[C@H]42"}, {"compound_id": "LB-FB5478C60EB8", "smiles": "Cc1ccc(S(=O)(=O)N2CC(O)C[C@H]2C(=O)Nc2ccc(C(=O)O)cc2)cc1"}, {"compound_id": "LB-1B7697FACB13", "smiles": "O=C(O)c1ccc(NC(=O)[C@@H]2CC(O)CN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1"}, {"compound_id": "LB-D468F00B107B", "smiles": "O=C(O)c1ccc(NC(=O)[C@@H]2CC(O)CN2S(=O)(=O)c2ccccc2)cc1"}, {"compound_id": "LB-D024DA57052C", "smiles": "Cc1ccccc1S(=O)(=O)N1CC(O)C[C@H]1C(=O)Nc1ccc(C(=O)O)cc1"}, {"compound_id": "LB-8A98E66F5386", "smiles": "Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(=O)O)cc2)cc1"}, {"compound_id": "LB-BEF671849684", "smiles": "O=C(O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1"}, {"compound_id": "LB-0E24B31DAC9E", "smiles": "O=C(O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1"}, {"compound_id": "LB-C3AF9BDFAE9C", "smiles": "Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)O)cc1"}, {"compound_id": "LB-5558C8FE721A", "smiles": "Nc1nc(N)nc(Nc2ccc([As]3SCC(CO)S3)cc2)n1"}, {"compound_id": "LB-6C960FF31B22", "smiles": "O=C(CCNc1cc(Cl)cc(Cl)c1)NO"}, {"compound_id": "LB-CE0ED0A19274", "smiles": "O=C(CCNc1ccccc1Cl)NO"}, {"compound_id": "LB-FDB22D2AEAE0", "smiles": "O=C(CCNc1ccc(Cl)cc1Cl)NO"}, {"compound_id": "LB-132CD4092D72", "smiles": "CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4cc(O)ccc34)[S+]([O-])C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@H](C)O)C(=O)N2"}, {"compound_id": "LB-CA0260974346", "smiles": "CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4cc(O)ccc34)[S+]([O-])C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2"}, {"compound_id": "LB-E471A9DFED61", "smiles": "CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4cc(O)ccc34)[S+]([O-])C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2"}, {"compound_id": "LB-7D13963D031A", "smiles": "Clc1ccc(CN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1Cl"}, {"compound_id": "LB-965DE8EDE2C7", "smiles": "O=C1C(c2ccccc2)N(S(=O)(=O)c2ccc(Cl)cc2)C(=O)C(c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1"}, {"compound_id": "LB-7429110E8193", "smiles": "O=C1C(Cc2ccccc2)N(S(=O)(=O)c2ccc(Cl)cc2)C(=O)C(Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1"}, {"compound_id": "LB-CBE4544F978D", "smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"}, {"compound_id": "LB-F5DB57D6F864", "smiles": "O=C(NCO)c1ccc(Cl)cc1"}, {"compound_id": "LB-C6D3A049AD27", "smiles": "NCCNC(=O)c1ccc(Cl)cn1"}, {"compound_id": "LB-209ED33B3434", "smiles": "O=C(NCCO)c1ccc(Cl)cn1"}, {"compound_id": "LB-8C24BAE0B5AF", "smiles": "O=C(NCO)c1ccc(Cl)cn1"}, {"compound_id": "LB-AE4FC99FC959", "smiles": "NCCNC(=O)c1ccc(Cl)cc1"}, {"compound_id": "LB-DC6A47A80F68", "smiles": "O=C(NCCO)c1ccc(Cl)cc1"}, {"compound_id": "LB-9EAD4F82F29F", "smiles": "NCCS(=O)(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21"}, {"compound_id": "LB-1F3D070A3CB9", "smiles": "COc1ccc(Oc2c(/C=N\\OCc3c(Cl)c(-c4ccc(Cl)cc4)nn3C)c(C)nn2C)cc1"}, {"compound_id": "LB-0160B5549451", "smiles": "COc1ccc([C@H]2[C@H](CO)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O"}, {"compound_id": "LB-A8FA33FF1520", "smiles": "COc1ccc([C@H]2[C@H](C)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O"}, {"compound_id": "LB-AC09B97C6CEE", "smiles": "Clc1ccc2c(n1)OC13CCC1NCC23"}, {"compound_id": "LB-A10F2279DE37", "smiles": "Clc1ccc2c(n1)O[C@]13CC[C@H]1NC[C@H]23"}, {"compound_id": "LB-A3846543E5F1", "smiles": "CN1CCC[C@H]1c1ccccc1"}, {"compound_id": "LB-97A68D2DC844", "smiles": "O=c1cccc2n1C[C@@H]1CNC[C@H]2C1"}, {"compound_id": "LB-04AA0834F9E8", "smiles": "O=[N+]([O-])c1ccc(Oc2ccc(NC(=S)Oc3ccc(O)cc3)cc2)cc1"}, {"compound_id": "LB-A6C4CD47DC49", "smiles": "O=[N+]([O-])c1ccc(Nc2ccc(NC(=S)Oc3ccc(O)cc3)cc2)cc1"}, {"compound_id": "LB-50221ADD886D", "smiles": "O=[N+]([O-])c1ccc(Nc2ccc(NC(=S)Oc3ccccc3)cc2)cc1"}, {"compound_id": "LB-223F62C80EE9", "smiles": "CCCn1c(C)cnc1C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1"}, {"compound_id": "LB-7B7775496FB8", "smiles": "NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO"}, {"compound_id": "LB-1D174E4245ED", "smiles": "COc1ccc2c(c[n+]3c4c2cc(Cc2ccccc2C)c2c5c(cc(c24)CC3)OCO5)c1OC.[Br-]"}, {"compound_id": "LB-4E7BEA7E3656", "smiles": "COc1ccc2c(c[n+]3c4c2cc(C(C)c2ccccc2)c2c5c(cc(c24)CC3)OCO5)c1OC.[Br-]"}, {"compound_id": "LB-26796956DD78", "smiles": "O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1"}, {"compound_id": "LB-61B9B68E3D21", "smiles": "FC(F)(F)c1nc2c(Cl)c(Cl)c(Cl)c(Cl)c2[nH]1"}, {"compound_id": "LB-25CF4D5B40BF", "smiles": "COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]"}, {"compound_id": "LB-6444D77522B0", "smiles": "N#CC(C#N)=NNc1ccc(OC(F)(F)F)cc1"}, {"compound_id": "LB-E03BD0B49177", "smiles": "NCCO.O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O"}, {"compound_id": "LB-D68F5D054CC1", "smiles": "CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O"}, {"compound_id": "LB-03CDE441787A", "smiles": "CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(C)c(C)c(O)c3[C@]2(C)C1=O"}, {"compound_id": "LB-073521F483B6", "smiles": "CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2C1c1ccc(Cl)cc1"}, {"compound_id": "LB-1E977DE4CD61", "smiles": "Cl.O=C1N(CC2CCNCC2)c2ccccc2C1(O)c1ccccc1"}, {"compound_id": "LB-8294648CB39B", "smiles": "O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)CC(Cc1nc(-c3cccnc3)no1)CCO2"}, {"compound_id": "LB-4AF548EBAF2F", "smiles": "O=C(C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1"}, {"compound_id": "LB-C0AB21FD9B33", "smiles": "Cc1ccc(C(=O)C2=C(O)c3ccccc3S(=O)(=O)N2CC(=O)N2CCN(c3ccccc3)CC2)cc1"}, {"compound_id": "LB-1BE55642CE7C", "smiles": "O=C(C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1"}, {"compound_id": "LB-B1961E22F998", "smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O"}, {"compound_id": "LB-5489C2923180", "smiles": "C[C@@H]1O[C@H]2O[C@H]3[C@@H](OC[C@H](O)[C@@H]3O)OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](OC(=O)C[C@](C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4"}, {"compound_id": "LB-791D54DEE23E", "smiles": "C[C@@H]1O[C@H]2O[C@H]3[C@@H](OC[C@H](O)[C@@H]3O)OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](OC(=O)C[C@](C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O"}, {"compound_id": "LB-FE179CC9E600", "smiles": "C[C@@H]1O[C@H]2O[C@H]3[C@@H](OC[C@H](O)[C@@H]3O)OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O"}, {"compound_id": "LB-41796E3F475E", "smiles": "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1"}, {"compound_id": "LB-C330BFEB9ECB", "smiles": "COc1ccc(/C=C(\\C)C(=O)c2cc(C)nc3ccccc23)cc1O"}, {"compound_id": "LB-CC0029390049", "smiles": "COC(=O)/C=C/C(=O)c1ccc(OC)cc1"}, {"compound_id": "LB-6E08BA4D9B5E", "smiles": "CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-]"}, {"compound_id": "LB-1C007FC85D83", "smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](OC(=O)CSc5nc6cc(F)ccc6s5)[C@H]3NC(=O)CSc3nc5cc(F)ccc5s3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"}, {"compound_id": "LB-F7CAD8D64CE0", "smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](OC(=O)CSc5nc6cc(F)ccc6o5)[C@H]3NC(=O)CSc3nc5cc(F)ccc5o3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"}, {"compound_id": "LB-DDA7EB4F3B1A", "smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"}, {"compound_id": "LB-C0FC12E2597B", "smiles": "CNCCn1c(=O)c2cc(OC)c(OC)cc2c2ccc3cc4c(cc3c21)OCO4"}, {"compound_id": "LB-4538186ECAE2", "smiles": "CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H](C(=O)C[C@@]4(C)O)/C(C=O)=C\\C[C@H]32)O1"}, {"compound_id": "LB-977E44918B12", "smiles": "CCN(CC)c1ccc2c(CO)cc(=O)oc2c1"}, {"compound_id": "LB-1BFB227A7835", "smiles": "Nc1ccc(S(N)(=O)=O)cc1"}, {"compound_id": "LB-2DF3C80E4F20", "smiles": "CC(C)Cc1ccc(C(C)C(=O)NS(=O)(=O)c2ccc(N)cc2)cc1"}, {"compound_id": "LB-A6157D6757DF", "smiles": "[2H]/C(c1nc[nH]c1C(C)(C)C)=c1/[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O"}, {"compound_id": "LB-A8ECA1BC39CB", "smiles": "CC1[C@H]2O[C@@]3(O)O[C@@H]1[C@@H]1[C@@H](O)N=C(N)N[C@]1([C@@H]2O)[C@@H]3O"}, {"compound_id": "LB-68C1BE5450B7", "smiles": "NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@@]3(O)CO"}, {"compound_id": "LB-41E98DD0C7B8", "smiles": "NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO"}, {"compound_id": "LB-246CA2DE226E", "smiles": "COc1cc(C2OC(=O)CC2C(C)=O)cc(OC)c1O"}, {"compound_id": "LB-62F96CBE17D4", "smiles": "CCC1S/C(=N\\N=C\\c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O"}, {"compound_id": "LB-2855FF14823C", "smiles": "CC(=O)OCCC1S/C(=N\\N=C\\c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O"}, {"compound_id": "LB-A89C9997790F", "smiles": "CC1S/C(=N\\N=C\\c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O"}, {"compound_id": "LB-51566049A873", "smiles": "O=C1CS/C(=N\\N=C\\c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1"}, {"compound_id": "LB-5B7E79FCAAEF", "smiles": "CC1S/C(=N\\N=C\\c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)NC1=O"}, {"compound_id": "LB-E9988C7D91BF", "smiles": "CCC1S/C(=N\\N=C\\c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N(c2ccc(O)cc2)C1=O"}, {"compound_id": "LB-493BC9CA474B", "smiles": "O=C(O)CC1S/C(=N\\N=C\\c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O"}, {"compound_id": "LB-C5CF39ED17AB", "smiles": "O=C(O)CC1S/C(=N\\N=C\\c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)NC1=O"}, {"compound_id": "LB-1489401EC948", "smiles": "CC(=O)[O-].[Ag+]"}, {"compound_id": "LB-B70BD6C6CAE9", "smiles": "O=[N+]([O-])[O-].[Ag+]"}, {"compound_id": "LB-6DE8F60CD381", "smiles": "Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1"}, {"compound_id": "LB-09C9F6BD9998", "smiles": "COc1ccc(CN(CCN(C)C)c2ccc(Cl)cc2)cc1"}, {"compound_id": "LB-452A230D933E", "smiles": "COc1ccc(CN(CCN(C)C)c2ccc(C)cc2)cc1"}, {"compound_id": "LB-C8C52801B46A", "smiles": "COc1ccc(CN(CCN(C)C)c2ccc(Cl)cn2)cc1"}, {"compound_id": "LB-01B914C0BF7B", "smiles": "COc1ccc(CCN(CCN(C)C)c2ccc(Cl)cn2)cc1"}, {"compound_id": "LB-AD547760AD12", "smiles": "COc1ccc(CN(CCN(C)C)c2ccc(C)cn2)cc1"}, {"compound_id": "LB-FEB4B116D628", "smiles": "CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1"}, {"compound_id": "LB-6EC5EC238543", "smiles": "CC1(C)C2CCC1(C)C(O)C2"}, {"compound_id": "LB-9F35DB466001", "smiles": "COc1cc(/C=C/C(=O)/C=C/c2nc(C)c(C)nc2C)ccc1O"}, {"compound_id": "LB-B20B09EBFBD2", "smiles": "O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\\CC1)C[C@@]31C[C@@H]3/C=C\\CCCCN3[C@H]12"}, {"compound_id": "LB-D95F6E46D6D0", "smiles": "C[C@@H]1O[C@@H](CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2=O"}, {"compound_id": "LB-4987E00FA3D6", "smiles": "CCC[C@H](N)C(=O)NC1CCN(C2C(F)=Cc3c4n(cc(C(=O)O)c3=O)-c3ccccc3OC42)C1"}, {"compound_id": "LB-50724BEAF889", "smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"}, {"compound_id": "LB-9BBB5AB2E37C", "smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"}, {"compound_id": "LB-915EBB3B35D9", "smiles": "O=C(C[C@@H](CC1CCCC1)C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc(F)cc2C(F)(F)F)no1)NO"}, {"compound_id": "LB-ECFFD11C7E3C", "smiles": "CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1"}, {"compound_id": "LB-F0CB19E4E954", "smiles": "O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccc(Cl)nc1Cl"}, {"compound_id": "LB-8E94CD722DEB", "smiles": "COc1cc(-c2nc(NC(=O)OCC3=CCCCC3=O)cc3c2[nH]c2ccccc23)cc(OC)c1OC"}, {"compound_id": "LB-EDFD67675898", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CSCC(=O)[O-].[Na+]"}, {"compound_id": "LB-90DE8F8AE1A4", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN.Cl"}, {"compound_id": "LB-3354AA5409ED", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN(C)C.Cl"}, {"compound_id": "LB-DDF331AB5FA1", "smiles": "CNCC(=O)OCC(=O)Oc1c(C(C)C)cccc1C(C)C.Cl"}, {"compound_id": "LB-6DEEFCCE364D", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)[C@H](C)N.Cl"}, {"compound_id": "LB-78A49166A71B", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN1CCOCC1.Cl"}, {"compound_id": "LB-576299B3B8B6", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN1CCN(C)CC1.Cl"}, {"compound_id": "LB-0F4FC2972A15", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN1CCCC1.Cl"}, {"compound_id": "LB-9D782512F0DE", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)C1COCCN1.Cl"}, {"compound_id": "LB-27F859D59300", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)C1CCCCN1.Cl"}, {"compound_id": "LB-DA1C94360497", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN1CCCCC1.Cl"}, {"compound_id": "LB-89EAD574EDCD", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CCC(=O)[O-].[Na+]"}, {"compound_id": "LB-8D1DC46B1A6F", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CC(=O)[O-].[Na+]"}, {"compound_id": "LB-534F6E6619F1", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CN1CCOCC1"}, {"compound_id": "LB-E1EB206AA47D", "smiles": "O=C(O)c1ccc(Cc2ccc(O)cc2)cn1"}, {"compound_id": "LB-881DA7BDD959", "smiles": "C=Cc1cncc2c1CCOC2=O"}, {"compound_id": "LB-2F3AFC5C4EE8", "smiles": "C/C=C1\\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2"}, {"compound_id": "LB-C92BAAD1B477", "smiles": "c1cncc([C@@H]2CCCCN2)c1"}, {"compound_id": "LB-23DFB5C87E51", "smiles": "c1cncc([C@H]2CCCCN2)c1"}, {"compound_id": "LB-D62D40BF0490", "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]2Oc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"}, {"compound_id": "LB-3D617581BDBE", "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-D41442C9E875", "smiles": "COc1ccc(-c2nc(-c3ccccc3O)n(-c3ccc(S(N)(=O)=O)cc3)n2)c(O)c1"}, {"compound_id": "LB-23668153E700", "smiles": "COc1ccc(N(CCN(C)C)S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(OC)n1"}, {"compound_id": "LB-17B1AD509A61", "smiles": "COc1ccc(N(CCN2CCN(C)CC2)S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(OC)n1"}, {"compound_id": "LB-C2E0C6D9E2B9", "smiles": "COc1ccc(N(CCN2CCC(N3CCCC3)CC2)S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(OC)n1"}, {"compound_id": "LB-E7C193596D0B", "smiles": "COc1ccc(N(CCOP(=O)([O-])[O-])S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)c(OC)n1.[Na+].[Na+]"}, {"compound_id": "LB-E643E4FDD57D", "smiles": "COc1ccc(NS(=O)(=O)c2ccc3c(c2)c2ccc(OP(=O)([O-])[O-])cc2n3C)c(OC)n1.[Na+].[Na+]"}, {"compound_id": "LB-CB6627CD92AB", "smiles": "CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(COC(=O)O[C@@H](C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@]5(OC(C)=O)CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](O)C(=C2C)C3(C)C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1"}, {"compound_id": "LB-DA345EC74994", "smiles": "CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"}, {"compound_id": "LB-90D9120CD01D", "smiles": "NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3cnccn3)nc3ccccc3c2=O)cc1"}, {"compound_id": "LB-F76A7B881193", "smiles": "C/C=C/C(=O)OCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(C(=O)OC)cc21"}, {"compound_id": "LB-B8B9AC5E15C0", "smiles": "C/C=C/C=C/C(=O)OCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(C(=O)OC)cc21"}, {"compound_id": "LB-2354DC2CFE1C", "smiles": "C=C1COc2cc3c(cc21)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3NC(C)=O"}, {"compound_id": "LB-C56F19D41F44", "smiles": "CN(C)CCCOc1ccc2nc3c(nc2c1)N(CCCN(C)C)CC1c2ccccc2CCN31.Cl.Cl"}, {"compound_id": "LB-A09E6FD53888", "smiles": "Cc1ccc(C2=NN3CCCC(=O)N=C3S2)cc1"}, {"compound_id": "LB-7287C20657B1", "smiles": "O=C1CCCN2N=C(c3ccc(Br)cc3)SC2=N1"}, {"compound_id": "LB-18221AD74022", "smiles": "O=C1CCCN2N=C(C(F)(F)F)SC2=N1"}, {"compound_id": "LB-CEF7CC10DB79", "smiles": "O=C1CCCN2N=C(c3ccccc3)SC2=N1"}, {"compound_id": "LB-7C3CC002509C", "smiles": "CC1=NN2CCCC(=O)N=C2S1"}, {"compound_id": "LB-0CC3602E0780", "smiles": "Cc1ccc(C(=O)CC2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1"}, {"compound_id": "LB-E70322346133", "smiles": "O=C1CCCCC1C1CC(=O)N(Cc2ccccc2)C1=O"}, {"compound_id": "LB-6EF86A48D7F8", "smiles": "CC1NC(=O)c2ccccc2S1(=O)=O"}, {"compound_id": "LB-BF614FFFA3D4", "smiles": "Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1"}, {"compound_id": "LB-A84D430D5CF7", "smiles": "C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O"}, {"compound_id": "LB-E778E27D8542", "smiles": "COc1ccc2[nH]c(-c3nc(NCCCCN4CCCC4)c4ccccc4n3)c(C=O)c2c1"}, {"compound_id": "LB-F11F24C9A10D", "smiles": "COc1cc2c(cc1OC)[C@@H]1N(C)Cc3c(cc(OC)c4c3OCO4)[C@]1(C)[C@H](O)C2"}, {"compound_id": "LB-CCD74382001A", "smiles": "CCCCCCCCCCCCNc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C"}, {"compound_id": "LB-A80E9AD080F3", "smiles": "COc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1OC"}, {"compound_id": "LB-2503E2831977", "smiles": "CCC(=O)N(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1"}, {"compound_id": "LB-B52F0637E5C4", "smiles": "CCC(=O)N(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1"}, {"compound_id": "LB-6D9DDB23765F", "smiles": "Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1"}, {"compound_id": "LB-7960B51B95B0", "smiles": "Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\\OCCN1CCNCC1"}, {"compound_id": "LB-F0BD58FFCCDB", "smiles": "N[C@H]1CCN(C(=O)c2coc3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)C1"}, {"compound_id": "LB-CCFF9A18FEA5", "smiles": "Cc1c(-c2nn(-c3ccccc3)cc2/C=N/O)nnn1-c1ccc(C(=O)O)cc1"}, {"compound_id": "LB-EB89E3F96106", "smiles": "COc1cc(NC(=O)CSc2nc3c(I)cc(I)cc3c(=O)n2-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC"}, {"compound_id": "LB-C40FD1E42CE3", "smiles": "O=C1C=CCC/C1=C\\c1ccc(OC(F)(F)F)cc1"}, {"compound_id": "LB-F6101724DA8E", "smiles": "CCCCCCCCCC(CCO)n1cnc2c(Cl)ncnc21"}, {"compound_id": "LB-5E348310E197", "smiles": "COc1ccc(CNC(=O)c2cc(F)ccc2N2CCOCC2)cc1OP(=O)([O-])[O-].[Na+].[Na+]"}, {"compound_id": "LB-3AE7BDAD9ABB", "smiles": "CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H]23"}, {"compound_id": "LB-82C5E501AC1A", "smiles": "CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1.[Cl-]"}, {"compound_id": "LB-05EB29E315BC", "smiles": "N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1"}, {"compound_id": "LB-2D301A53C836", "smiles": "NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3cccnc3Cl)nc3c(I)cc(I)cc3c2=O)cc1"}, {"compound_id": "LB-DF3B95F4A2F2", "smiles": "CCOC(=O)/C(=N\\Nc1ccccc1)C(=O)C(F)(F)F"}, {"compound_id": "LB-57E2F71DCF43", "smiles": "CCOC(=O)/C(=N\\Nc1ccc(C)cc1)C(=O)C(F)(F)F"}, {"compound_id": "LB-FE72E20870A0", "smiles": "CCOC(=O)/C(=N\\Nc1cccc(C)c1)C(=O)C(F)(F)F"}, {"compound_id": "LB-1D87A187792E", "smiles": "CCOC(=O)/C(=N\\Nc1ccccc1[N+](=O)[O-])C(=O)C(F)(F)F"}, {"compound_id": "LB-CB863276CA91", "smiles": "CCOC(=O)/C(=N\\Nc1ccc(Br)cc1)C(=O)C(F)(F)F"}, {"compound_id": "LB-EEB42C08B70C", "smiles": "COC(=O)/C(=N\\Nc1ccccc1[N+](=O)[O-])C(=O)C(F)(F)F"}, {"compound_id": "LB-FCCBA1671F53", "smiles": "NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"}, {"compound_id": "LB-BDDBFFBBA200", "smiles": "CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-1B15F47DC7CC", "smiles": "COc1cc(Nc2nsc3ccccc23)cc(OC)c1"}, {"compound_id": "LB-8201A5034F68", "smiles": "CC(C)C12C=CC(C)(CC1)OO2"}, {"compound_id": "LB-E3A0F507730C", "smiles": "Cc1ccc(C(C)C)cc1"}, {"compound_id": "LB-DC1E86FDA7A1", "smiles": "O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)o1"}, {"compound_id": "LB-3F375B319EA3", "smiles": "Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)s2)n1"}, {"compound_id": "LB-9F6173F5B079", "smiles": "COc1ccc(NC(=O)c2ccccc2Nc2cccc(Cl)c2C)cc1"}, {"compound_id": "LB-51F05DB67CDB", "smiles": "Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2"}, {"compound_id": "LB-0AE0AE6575EE", "smiles": "CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1"}, {"compound_id": "LB-9BCF231A9E6C", "smiles": "CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1"}, {"compound_id": "LB-E4EC6AD7D47D", "smiles": "CCC(=O)N(C[C@H](C)N1CCC(Cc2ccccc2)CC1)c1ccccc1"}, {"compound_id": "LB-E590C134D18F", "smiles": "CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCc2cn(CCCNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc3cccc(Cl)c3)nn2)C(C)C)cc1)C(C)C"}, {"compound_id": "LB-735627CEB52B", "smiles": "C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OCCOc2c(OC)ccc3cc4[n+](cc23)CCc2cc3c(cc2-4)OCO3)c1.[Cl-]"}, {"compound_id": "LB-A52D9E5B836F", "smiles": "O=C(Cc1cn(-c2ccccc2)nc1O)Nc1ccccc1-c1cc(-c2ccc(Br)cc2)n(-c2ccccc2)n1"}, {"compound_id": "LB-2C148EFDDDAB", "smiles": "O=C(c1ccco1)N(Cc1cccc(F)c1)C1CCN(CCc2ccccc2)CC1"}, {"compound_id": "LB-A3AF8BB01326", "smiles": "Fc1c(F)c(F)c(Cn2c3ccccc3c3ccn4c[n+](-c5ccc(C(F)(F)F)cc5)cc4c32)c(F)c1F.[Cl-]"}, {"compound_id": "LB-41BD54CF061A", "smiles": "CN(C)c1ccc(-[n+]2cc3c4c(ccn3c2)c2ccccc2n4C)cc1.[Cl-]"}, {"compound_id": "LB-D29428A7CAE1", "smiles": "COc1ccc(-[n+]2cc3c4c(ccn3c2)c2ccccc2n4CCCc2ccccc2)cc1.[Cl-]"}, {"compound_id": "LB-FFACFC728DCD", "smiles": "CN1C(=O)CN(CCCCCN2CCCCC2)c2ccc([N+](=O)[O-])cc21"}, {"compound_id": "LB-126ECC8ADAAD", "smiles": "CCCCc1ccc2nc(NC(=O)OC(C)C)[nH]c2c1"}, {"compound_id": "LB-7F49F688674D", "smiles": "O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46"}, {"compound_id": "LB-5FF893C4A0EE", "smiles": "COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"}, {"compound_id": "LB-F6AE4F954F88", "smiles": "c1c(CN2CCCCCC2)c(-c2cc3ccc4c(c3cn2)OCO4)cc2c1OCO2"}, {"compound_id": "LB-3F0B42AF0C2C", "smiles": "CC1(C)[C@@H](O)C(O)=C[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-CF9DAEE152E8", "smiles": "CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C"}, {"compound_id": "LB-79D0D0E85692", "smiles": "O=C(Nc1ccc2[nH]ncc2c1)N1CCN(c2cccc(Cl)c2Cl)CC1"}, {"compound_id": "LB-92E93FF0EBC5", "smiles": "CO[C@@H]1[C@]2(O)c3cc(O)ccc3N3C(C)(C)[C@H](C)[C@]32N2C(=O)/C3=C/c4c([nH]c5ccccc45)C(C)(C)/C=C\\N3C(=O)[C@]12O"}, {"compound_id": "LB-094EF375B1D2", "smiles": "CO[C@@H]1[C@]2(O)c3cc(O)ccc3N3C(C)(C)[C@H](C)[C@]32N2C(=O)/C3=C/c4c([nH]c5cc(Cl)ccc45)C(C)(C)/C=C\\N3C(=O)[C@]12O"}, {"compound_id": "LB-B35B39E0A062", "smiles": "CO[C@@H]1[C@]2(O)c3cccc(O)c3N3C(C)(C)[C@H](C)[C@]32N2C(=O)/C3=C/c4c([nH]c5cc(Cl)ccc45)C(C)(C)/C=C\\N3C(=O)[C@]12O"}, {"compound_id": "LB-B39F32FA736A", "smiles": "CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCCc4cn(CCCNC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](Cc5ccccc5)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc5cccc(Cl)c5)nn4)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"}, {"compound_id": "LB-D1C9A8042169", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(OCC)c1"}, {"compound_id": "LB-6A8FD841A944", "smiles": "CCOc1cc(CC(=O)OCC(F)(F)F)ccc1OCC(=O)N1CCN(c2ccccc2)CC1"}, {"compound_id": "LB-2FBB6DE3479C", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(OCC)c1"}, {"compound_id": "LB-BF565DBBF3B8", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(c2ccccc2)CC1"}, {"compound_id": "LB-8BDD00CD6A6D", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)c(OCC)c1"}, {"compound_id": "LB-8D737652FFE8", "smiles": "CCOc1cc(CC(=O)OCC(F)(F)F)ccc1OCC(=O)N1CCN(c2cccc(C)c2C)CC1"}, {"compound_id": "LB-B02C36FCA032", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)c(OCC)c1"}, {"compound_id": "LB-C3813E71E3B2", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(c2cccc(C)c2C)CC1"}, {"compound_id": "LB-9AA217B049AA", "smiles": "COc1cc(CC(=O)OCC(F)(F)F)ccc1OCC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1"}, {"compound_id": "LB-21C09000E362", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c(OCC)c1"}, {"compound_id": "LB-35F333557F88", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c(OCC)c1"}, {"compound_id": "LB-0B81DF5C9110", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1"}, {"compound_id": "LB-7EF01AFAFF2D", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OCC)c1"}, {"compound_id": "LB-D29E1E2B92B3", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OCC)c1"}, {"compound_id": "LB-5137A8C4891A", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1"}, {"compound_id": "LB-4B7FFCD41E49", "smiles": "CCOc1cc(CC(=O)OCC(F)(F)F)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1"}, {"compound_id": "LB-E1CF9A8760B2", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(OC)c1"}, {"compound_id": "LB-A54B6D7ADDDE", "smiles": "COc1cc(CC(=O)OCC(F)(F)F)ccc1OCC(=O)N1CCN(c2ccccc2)CC1"}, {"compound_id": "LB-605BF0035A89", "smiles": "CCN(CC)CCOC(=O)c1ccc(N)cc1"}, {"compound_id": "LB-8DAE47555DAA", "smiles": "CCN(CCO)CCOC(=O)c1ccc(N)cc1"}, {"compound_id": "LB-DACE8E8DD3E3", "smiles": "Nc1ccc(C(=O)OCCN(CCO)CCO)cc1"}, {"compound_id": "LB-575D521F3829", "smiles": "CCN(CCOC)CCOC(=O)c1ccc(N)cc1"}, {"compound_id": "LB-0B5FE770F13B", "smiles": "COCCN(CCOC)CCOC(=O)c1ccc(N)cc1"}, {"compound_id": "LB-DB83F8430E81", "smiles": "Nc1ccc(C(=O)OCCN2CCOCC2)cc1"}, {"compound_id": "LB-553D8B32A3A7", "smiles": "CC1COCCN1CCOC(=O)c1ccc(N)cc1"}, {"compound_id": "LB-2436100A77A7", "smiles": "CC1CN(CCOC(=O)c2ccc(N)cc2)CCO1"}, {"compound_id": "LB-9D048467BD3B", "smiles": "CC1CN(CCOC(=O)c2ccc(N)cc2)CC(C)O1"}, {"compound_id": "LB-7AEA22ADB626", "smiles": "CC1COCC(C)N1CCOC(=O)c1ccc(N)cc1"}, {"compound_id": "LB-5B47B2F3E1B1", "smiles": "CC1CC(C)CN(CCOC(=O)c2ccc(N)cc2)C1"}, {"compound_id": "LB-1C77ACC5E080", "smiles": "CN1CCN(CCOC(=O)c2ccc(N)cc2)CC1"}, {"compound_id": "LB-5069B221EFF1", "smiles": "CCN1CCN(CCOC(=O)c2ccc(N)cc2)CC1"}, {"compound_id": "LB-2A4719564CDC", "smiles": "CC(C)N1CCN(CCOC(=O)c2ccc(N)cc2)CC1"}, {"compound_id": "LB-4644E0BDD024", "smiles": "CC(C)(C)N1CCN(CCOC(=O)c2ccc(N)cc2)CC1"}, {"compound_id": "LB-F87CC3A65919", "smiles": "Nc1ccc(C(=O)OCCN2CCSCC2)cc1"}, {"compound_id": "LB-08A63956B1DB", "smiles": "Nc1ccc(C(=O)OCCN2CCS(=O)(=O)CC2)cc1"}, {"compound_id": "LB-CFFB736A1515", "smiles": "Nc1ccc(C(=O)OCCN2CC[S+]([O-])CC2)cc1"}, {"compound_id": "LB-5204D155C022", "smiles": "Cc1[nH]c2ccccc2c1C1=C(Cl)C(=O)C(Cl)=C(N2CCOCC2)C1=O"}, {"compound_id": "LB-11D3ACF12F25", "smiles": "O=C(CNc1ccc(F)cc1)Nc1ccc(-c2nc(-c3ccnc(Nc4ccc(OC(F)(F)F)cc4)c3)no2)cc1"}, {"compound_id": "LB-EDB726E12B5A", "smiles": "Cc1cc(C)cc(-n2nc(-c3ccc(C(F)(F)F)cc3O)nc2-c2ccccc2O)c1"}, {"compound_id": "LB-95C7746DF818", "smiles": "COc1cc2c(c(O)c1OC)C(C)N(C)CC2"}, {"compound_id": "LB-4105FC0EB12A", "smiles": "CC(=O)c1nnn(-c2nc(Cl)nc(Cl)n2)c1NCc1ccc(F)cc1"}, {"compound_id": "LB-9AAA7D9E5E0B", "smiles": "CC(=O)c1nnn(-c2nc(Cl)nc(Cl)n2)c1NCc1ccc(Cl)cc1"}, {"compound_id": "LB-CC5BFF07F7D9", "smiles": "CC(=O)c1nnn(-c2nc(Cl)nc(Cl)n2)c1NCc1cc(F)cc(F)c1"}, {"compound_id": "LB-E6DE52F6AA01", "smiles": "CC(=O)c1nnn(-c2nc(Cl)nc(Cl)n2)c1NCc1ccc(C(F)(F)F)cc1"}, {"compound_id": "LB-ECA1038209F5", "smiles": "CC(=O)c1nnn(-c2nc(Cl)nc(Cl)n2)c1NCc1ccc([N+](=O)[O-])cc1"}, {"compound_id": "LB-5BC0C16A471E", "smiles": "Cc1ccc2nc3c(c(NCCN4CCOCC4)c2c1)CCCC3"}, {"compound_id": "LB-6A7E9E580863", "smiles": "Cc1ccc2nc3c(c(N4CCCCC4)c2c1)CCCC3"}, {"compound_id": "LB-DFACB19F4D46", "smiles": "COc1ccc(-n2c3c/c(=N\\C(C)C)c(Nc4cccc(F)c4)cc-3nc3ccccc32)cn1"}, {"compound_id": "LB-AD73D458133E", "smiles": "COc1ccc(-n2c3c/c(=N\\C(C)C)c(Nc4ccc(F)cc4)cc-3nc3ccccc32)cn1"}, {"compound_id": "LB-2DE7CC43FA33", "smiles": "C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1NC(=O)CO"}, {"compound_id": "LB-847D537C68B0", "smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O"}, {"compound_id": "LB-FAD4CB8FBBDB", "smiles": "N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O"}, {"compound_id": "LB-4CD12B95EFFC", "smiles": "CCOc1ccc(-c2cncnc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl"}, {"compound_id": "LB-5A89F1E5B6B1", "smiles": "CC(C)(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1.Cl"}, {"compound_id": "LB-416679736054", "smiles": "CCCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc(OC)c(OC)cc1-3.[Br-]"}, {"compound_id": "LB-712511560577", "smiles": "C[C@]12CC/C(=N\\OCCN)C[C@@H]1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"}, {"compound_id": "LB-AF8D7A18B6D4", "smiles": "C[C@]12CC[C@H](CCCC(=O)O)C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"}, {"compound_id": "LB-B3C74DB47E9D", "smiles": "O=C(CCBr)N1CC[N+]2(CC1)CC[N+]1(CCN(C(=O)CCBr)CC1)CC2.[Cl-].[Cl-]"}, {"compound_id": "LB-3D029FD09D36", "smiles": "OC(CCl)CN1CC[N+]2(CC1)CC[N+]1(CCN(CC(O)CCl)CC1)CC2.[Cl-].[Cl-]"}, {"compound_id": "LB-73A819621292", "smiles": "C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1"}, {"compound_id": "LB-D4AE006556F8", "smiles": "O=C1OC(=O)C2C3CCC(O3)C12"}, {"compound_id": "LB-315A248CD6E7", "smiles": "C[C@]1(C(=O)O)[C@@H]2CC[C@@H](O2)[C@@]1(C)C(=O)O"}, {"compound_id": "LB-12152FE7AE8A", "smiles": "O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2"}, {"compound_id": "LB-80D12BDE81E4", "smiles": "Clc1ccc(-c2noc(CCCCN3CCCCC3)n2)c(Cl)c1"}, {"compound_id": "LB-0A40DCD0989B", "smiles": "COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23"}, {"compound_id": "LB-A91B246BF2C3", "smiles": "CC[C@@H]1C[N+]2=C(C[C@@H]1/C(=C\\OC)C(=O)OC)c1[nH]c3cccc(OC)c3c1CC2"}, {"compound_id": "LB-67AA3840435E", "smiles": "Cc1nc(/C=C/C(=O)N2CCC=CC2=O)c(C)nc1/C=C/C(=O)N1CCC=CC1=O"}, {"compound_id": "LB-F37D65B71C41", "smiles": "COc1c(Br)cc([C@@H]2c3cc4c(cc3C[C@H]3C(=O)NC(=O)N23)OCCO4)cc1Br"}, {"compound_id": "LB-A234273647A4", "smiles": "COc1c(Cl)cc([C@@H]2c3cc4c(cc3C[C@H]3C(=O)NC(=O)N23)OCCO4)cc1Cl"}, {"compound_id": "LB-3C095FEB8F56", "smiles": "CN(C)C(=N)NC(=N)N"}, {"compound_id": "LB-73CA8A22E8B6", "smiles": "N=C(N)NC(=N)N1CCOCC1"}, {"compound_id": "LB-810B6EBCAC6F", "smiles": "CCCC(CCC)C(=O)Nc1ccccc1O"}, {"compound_id": "LB-D53750A6246E", "smiles": "CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O"}, {"compound_id": "LB-9CC6204CF605", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1"}, {"compound_id": "LB-748D35C79682", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1"}, {"compound_id": "LB-3B4275EAA122", "smiles": "COc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCOCC1"}, {"compound_id": "LB-D5162DA07564", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCOCC2)c(OCC)c1"}, {"compound_id": "LB-C2DD5347DE2C", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCOCC2)c(OCC)c1"}, {"compound_id": "LB-FBDF2C9BA8E7", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCOCC1"}, {"compound_id": "LB-FE8E366F1BEE", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1"}, {"compound_id": "LB-7CAF9D16D998", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1"}, {"compound_id": "LB-522E424321E2", "smiles": "COc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1"}, {"compound_id": "LB-40E1F89C32C6", "smiles": "CCOC(=O)Cc1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OCC)c1"}, {"compound_id": "LB-FD80D995DC07", "smiles": "CCCOC(=O)Cc1ccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OCC)c1"}, {"compound_id": "LB-7D429E60CD4E", "smiles": "CCOc1cc(CC(=O)OC(C)C)ccc1OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1"}, {"compound_id": "LB-60695D18D4F0", "smiles": "CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)CC1"}, {"compound_id": "LB-D509737F61AA", "smiles": "CCCCCCCCC(O)C/C=C/CCC(=O)N(C)C/C(=C\\Cl)C/C(=C\\C(=O)N1CC(OC)=CC1=O)OC"}, {"compound_id": "LB-A0997EC5BB8C", "smiles": "CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\\CCc2cc(O)cc(c2O)NC(=O)C1"}, {"compound_id": "LB-84127A339ED8", "smiles": "CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\\CCC2=CC(=O)C=C(NC(=O)C1)C2=O"}, {"compound_id": "LB-3EB445762691", "smiles": "CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/c4ccc(F)cc4Cl)C(N)=O)C(=O)O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C"}, {"compound_id": "LB-3B2DF1EAFE9E", "smiles": "CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C[C@@H](C)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)/C=C/CCCCCCCCCCCC(C)C)O[C@@H](CO)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-57FB3569D3D6", "smiles": "CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C[C@@H](C)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)/C=C/CCCCCCCCCCC(C)C)O[C@@H](CO)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-870C9C49BEA5", "smiles": "CCC(C)CCCCCCCCCCCCC(=O)N[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](C[C@@H](C)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-4AE5741A4BED", "smiles": "CCC(C)CCCCCCCCCC/C=C/C(=O)N[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](C[C@@H](C)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-B1D316427DA3", "smiles": "CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C[C@@H](C)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)CC(O)CCCCCCCCCCCCC(C)C)O[C@@H](CO)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-BFD7F6282C06", "smiles": "CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C[C@@H](C)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)CCCCCCCCCCCCCCC(C)C)O[C@@H](CO)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-2778A3F600B1", "smiles": "CCC(C)CCCCCCCCCCC(=O)N[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](C[C@@H](C)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-5A73CA5EF0E2", "smiles": "CCC(C)CCCCCCCCCCCC/C=C/C(=O)N[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](C[C@@H](C)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-47225A980E3E", "smiles": "CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C[C@@H](C)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)CC(O)CCCCCCCCCCC(C)C)O[C@@H](CO)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-C2443247F544", "smiles": "CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C[C@@H](C)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)CCCCCCCCCCCCC(C)C)O[C@@H](CO)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-44A51E0CC841", "smiles": "CC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](C[C@@H](C)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)/C=C/CCCCCCCCCCCCC(C)C)O[C@@H](CO)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-3D021E145611", "smiles": "CCC(C)CCCCCCCCCCCCCCC(=O)N[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](C[C@@H](C)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O"}, {"compound_id": "LB-4CB8B244CA18", "smiles": "CO[C@H](C)CN1CC[C@@]2(C)c3ccc(O)cc3C[C@@H]1C2(C)C"}, {"compound_id": "LB-118BB2ECD738", "smiles": "CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)c2scc(S(C)(=O)=O)c2n1"}, {"compound_id": "LB-4232214BF7AB", "smiles": "Nc1nc(NC2=NC(c3ccccc3)=CC(c3cccc([N+](=O)[O-])c3)O2)nc(N2CCOCC2)n1"}, {"compound_id": "LB-DFF420C05ED6", "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"}, {"compound_id": "LB-80429D1066BE", "smiles": "C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"}, {"compound_id": "LB-9E4D878AC1AA", "smiles": "C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)c3c(c(-c4ccccc4)[nH]c(=O)c3C#N)C[C@@H]12"}, {"compound_id": "LB-AD902E23D288", "smiles": "C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)c3c(c(-c4ccc(Cl)cc4)[nH]c(=O)c3C#N)C[C@@H]12"}, {"compound_id": "LB-63F9B8AC97CD", "smiles": "C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)c3c(C#N)c(S)nc(-c4ccccc4)c3C[C@@H]12"}, {"compound_id": "LB-25E825D9D948", "smiles": "C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)c3c(C#N)c(S)nc(-c4ccc(Cl)cc4)c3C[C@@H]12"}, {"compound_id": "LB-4547CAD29C62", "smiles": "CCOc1nc(-c2ccccc2)c2c(c1C#N)[C@@]1(C)CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C2"}, {"compound_id": "LB-3B669BF10C26", "smiles": "CCOc1nc(-c2ccc(F)cc2)c2c(c1C#N)[C@@]1(C)CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C2"}, {"compound_id": "LB-6033E213A7D5", "smiles": "CCOC1(OCC)NC(c2ccccc2)=C2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C1C#N"}, {"compound_id": "LB-E259DAD65766", "smiles": "CCOC1(OCC)NC(c2ccc(F)cc2)=C2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C1C#N"}, {"compound_id": "LB-02B38A821782", "smiles": "COc1cccc(Cn2c(NCCO)nc3c2c(=O)n(C)c(=O)n3C)c1"}, {"compound_id": "LB-46A1221E9A63", "smiles": "CCCCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(C)C)[C@@H](C)CC"}, {"compound_id": "LB-99864338D8E4", "smiles": "CCCCCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(C)C)[C@@H](C)CC"}, {"compound_id": "LB-C72779B31926", "smiles": "CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-8DEEC56AEE8A", "smiles": "NS(=O)(=O)c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)s1"}, {"compound_id": "LB-DA4CB9F2607C", "smiles": "Cc1cc(-c2ccc(S(N)(=O)=O)s2)ccc1-c1cccc2ccccc12"}, {"compound_id": "LB-DD860E857501", "smiles": "Cc1cc(-c2ccc(S(N)(=O)=O)s2)ccc1-c1cccc2ncccc12"}, {"compound_id": "LB-CA97DFE78506", "smiles": "Cc1cc(-c2ccc(S(N)(=O)=O)s2)cnc1-c1ccnc2ccccc12"}, {"compound_id": "LB-9FBCE140A5F8", "smiles": "Cc1cc(-c2ccc(S(N)(=O)=O)s2)cnc1-c1cccc2ncccc12"}, {"compound_id": "LB-AF5D6EF8CEB8", "smiles": "COc1cc(-c2nccc3[nH]c(-c4cccc5c4ccn5C)nc23)cc(OC)c1OC"}, {"compound_id": "LB-B345202F5EF2", "smiles": "CC(C)c1c(O)nc(SCCN2CCCC2)[nH]c1=O.Cl"}, {"compound_id": "LB-B08E58480526", "smiles": "CCCC(C)c1c(O)nc(SCCN(CC)CC)[nH]c1=O.Cl"}, {"compound_id": "LB-D2C0F32BF991", "smiles": "CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl"}, {"compound_id": "LB-62262D02FFCC", "smiles": "O=C(O)[C@@H](O)COc1ccc(N(CCCl)CCCl)cc1"}, {"compound_id": "LB-FBEE8BE00CA9", "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)[C@@H](O)COc1ccc(N(CCCl)CCCl)cc1"}, {"compound_id": "LB-4465651539FA", "smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CSc2cc[n+](CCCCCCC)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.[I-]"}, {"compound_id": "LB-110A3D7AC901", "smiles": "COc1cc(N(C(=O)CCl)c2ccc3c(c2)OCCO3)cc(OC)c1F"}, {"compound_id": "LB-4F8D5C1F7D0D", "smiles": "Cl.N[C@H]1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CC6)n5)cc24)CCCCC3)C1"}, {"compound_id": "LB-8962568AB05A", "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-7771080DBECE", "smiles": "CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"}, {"compound_id": "LB-67E61260C9E1", "smiles": "CCN1C[C@]2(OC(=O)c3ccccc3NC(=O)c3ccc(OC)cc3)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"}, {"compound_id": "LB-EF89FA4B2282", "smiles": "CCOc1ccc(C(=O)Nc2ccccc2C(=O)O[C@@]23CC[C@H](OC)[C@]45C([C@H](C[C@H]24)[C@@]2(O)C[C@H](OC)[C@H]4C[C@@H]5[C@]2(O)[C@H]4OC)N(CC)C3)cc1"}, {"compound_id": "LB-601EA7CB3663", "smiles": "CCCOc1ccc(C(=O)Nc2ccccc2C(=O)O[C@@]23CC[C@H](OC)[C@]45C([C@H](C[C@H]24)[C@@]2(O)C[C@H](OC)[C@H]4C[C@@H]5[C@]2(O)[C@H]4OC)N(CC)C3)cc1"}, {"compound_id": "LB-7768EB3ED1D5", "smiles": "CCN1C[C@]2(OC(=O)c3ccccc3NC(=O)c3ccc(OC(C)C)cc3)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"}, {"compound_id": "LB-2351DD5DA557", "smiles": "CCN1C[C@]2(OC(=O)c3ccccc3NC(=O)c3ccc(N(C)C)cc3)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"}, {"compound_id": "LB-59C33ACDD08F", "smiles": "CCN1C[C@]2(OC(=O)c3ccccc3NS(=O)(=O)c3ccccc3OC)CC[C@H](OC)[C@]34C1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"}, {"compound_id": "LB-217FFCDB066F", "smiles": "CC[N+](CC)(CCCCCn1c(C)cc(=O)n(CCCCC[N+](CC)(CC)Cc2ccccc2)c1=O)Cc1ccccc1.[Br-].[Br-]"}, {"compound_id": "LB-178A6C6F9C30", "smiles": "Br.CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1[N+](=O)[O-]"}, {"compound_id": "LB-D613B21AEFAC", "smiles": "Br.CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1[N+](=O)[O-]"}, {"compound_id": "LB-D3CA57688110", "smiles": "Br.CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1[N+](=O)[O-]"}, {"compound_id": "LB-54C2809812A4", "smiles": "Br.CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1[N+](=O)[O-]"}, {"compound_id": "LB-5ECEE84ED081", "smiles": "CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1C(F)(F)F.[Br-]"}, {"compound_id": "LB-9E03DE92D57B", "smiles": "CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1C(F)(F)F.[Br-]"}, {"compound_id": "LB-BC5E6342B271", "smiles": "CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1C(F)(F)F.[Br-]"}, {"compound_id": "LB-F027D1B7D6BA", "smiles": "CC[N+](CC)(CCCCCn1c(=O)cc(C)n(CCCCCCn2c(C)cc(=O)n(C)c2=O)c1=O)Cc1ccccc1C(F)(F)F.[Br-]"}, {"compound_id": "LB-39BC61E31A2B", "smiles": "Cc1oc(C)c(S(N)(=O)=O)c1C(=O)O"}, {"compound_id": "LB-7559E7E4D212", "smiles": "Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc3scnc3c2)n1"}, {"compound_id": "LB-A73317BA5C0D", "smiles": "Nc1nc(N)c2c(ccc3c2ccn3Cc2cccc3scnc23)n1"}, {"compound_id": "LB-70FDEAAF54FA", "smiles": "Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(-c3ccccc3)cc2)n1"}, {"compound_id": "LB-0FCA4F86F499", "smiles": "O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]"}, {"compound_id": "LB-81B5AEBBEEBB", "smiles": "O=C(NCc1ccc(Br)nc1)c1ccc([N+](=O)[O-])o1"}, {"compound_id": "LB-B05C5A1790A6", "smiles": "CCC(=O)N(CC(CC)N1CCC(c2ccccc2)CC1)c1ccccn1"}, {"compound_id": "LB-1D932DFDA287", "smiles": "CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)c1cc3ccccc3o1)C2"}, {"compound_id": "LB-4CC1A2A162BA", "smiles": "CO[C@@]12c3c(C)cc(O)c4c(=O)occ(c34)C(=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O"}, {"compound_id": "LB-E7DE96DE9118", "smiles": "CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)C1=C2c2c(C)cc(O)c3c(=O)n(-c4ccc([N+](=O)[O-])cc4)cc(c23)C1=O"}, {"compound_id": "LB-9908D5FDBE84", "smiles": "CCCCCCC[C@@H](O)CC(=O)N[C@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O"}, {"compound_id": "LB-33A0921590F2", "smiles": "CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccccc4C(=O)NN)n3)cc2)CC1"}, {"compound_id": "LB-111AB9E7899B", "smiles": "Clc1cccc(-c2nnc(-c3ccnc(-c4ccccc4)c3)o2)c1"}, {"compound_id": "LB-9176B0900E2D", "smiles": "N[C@@H](CN[C@@H](CN[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O"}, {"compound_id": "LB-7AD109D0F2A5", "smiles": "N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"}, {"compound_id": "LB-90B49E6B4929", "smiles": "N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"}, {"compound_id": "LB-087DCB4A2D87", "smiles": "COc1ccc(C2C(Cl)C(=O)N2C2=C(Cl)C(=O)c3ccccc3C2=O)cc1"}, {"compound_id": "LB-965695F26143", "smiles": "CCOc1cc(C2C(Cl)C(=O)N2C2=C(Cl)C(=O)c3ccccc3C2=O)ccc1O"}, {"compound_id": "LB-FB9DDA259466", "smiles": "O=C1C(Cl)=C(N2C(=O)C(Cl)C2c2ccc(Cl)cc2)C(=O)c2ccccc21"}, {"compound_id": "LB-1978433B573F", "smiles": "CN(C)c1ccc(C2C(Cl)C(=O)N2C2=C(Cl)C(=O)c3ccccc3C2=O)cc1"}, {"compound_id": "LB-6B959EBC479E", "smiles": "O=C1C(Cl)=C(N2C(=O)C(Cl)C2c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21"}, {"compound_id": "LB-6FB0AD94E905", "smiles": "N#Cc1cccc(CN2CCC(c3nc(Cc4ccc(F)c(Cl)c4)no3)CC2)c1"}, {"compound_id": "LB-239BB84FF5AE", "smiles": "CCCCCCCCCC(=O)N[C@H](CCCN)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC)[C@@H](C)O"}, {"compound_id": "LB-73E44E120B18", "smiles": "O=C(NCCCCCCCCNC(=O)C(Cl)Cl)C(Cl)Cl"}, {"compound_id": "LB-03E9C45E84A3", "smiles": "COc1cc(-n2cnc3ccc(-c4ccc(C)c(N)c4)nc32)cc(OC)c1OC"}, {"compound_id": "LB-5A4CD46D5043", "smiles": "CCOC(=O)C[C@H]1CSC[C@]1(C(=O)OCC)n1cnc2c(Cl)nc(Cl)nc21"}, {"compound_id": "LB-4ABA80888166", "smiles": "CC[C@H]1O[C@@]2(C)[C@H](OC(C)=O)[C@@]1(C)O[C@@H](/C=C/C=C/C=C/c1oc(=O)cc(OC)c1C)[C@@H]2OC(=O)CCC(=O)OC/C=C/COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1"}, {"compound_id": "LB-FC08D8EAC2AC", "smiles": "CC[C@H]1O[C@@]2(C)[C@H](OC(C)=O)[C@@]1(C)O[C@@H](/C=C/C=C/C=C/c1oc(=O)cc(OC)c1C)[C@@H]2O"}, {"compound_id": "LB-55BCD302845C", "smiles": "COc1ccc2c(c1)NC(=O)/C2=C1\\Nc2ccccc2\\C1=N/OCCCNC(=O)CCn1cc(COc2ccc(N(C(=O)CCl)C(C(=O)NCCc3ccccc3)c3cccs3)cc2Cl)nn1"}, {"compound_id": "LB-DB64DC5F3091", "smiles": "O=C(c1cc(O)ccc1F)N1CCC(Cc2cccc(Sc3cc(C(F)(F)F)ccn3)c2)CC1"}, {"compound_id": "LB-AC485FAAD4A1", "smiles": "O=C(c1cc(O)ccc1F)N1CCN(Cc2cccc(Sc3cc(C(F)(F)F)ccn3)c2)CC1"}, {"compound_id": "LB-D126B3FBE106", "smiles": "Cc1ccc(C(C)C)cc1OCc1cn(CCCCCOc2cc(=O)oc3ccccc23)nn1"}, {"compound_id": "LB-024A54841FB5", "smiles": "NCCCC[C@@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O"}, {"compound_id": "LB-2F0C85FA9A06", "smiles": "COc1cc(/C=N/NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc(OC)c1O"}, {"compound_id": "LB-54671BBD5412", "smiles": "CC1(C)CC[C@]2(C(=O)OCCCCOC(=O)c3ccc(OCc4ccc(B5OC(C)(C)C(C)(C)O5)cc4)cc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1"}, {"compound_id": "LB-2FC4F540EEFE", "smiles": "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(N)=O"}, {"compound_id": "LB-6D240AF51658", "smiles": "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(N)=O"}, {"compound_id": "LB-CB610478FF9A", "smiles": "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCC(=O)O)C(N)=O"}, {"compound_id": "LB-C24B6A81D93C", "smiles": "CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O"}, {"compound_id": "LB-A318EFBEB110", "smiles": "COc1c(N2C[C@@H]3CCCN(Cc4cnc(C)c(O)c4C)[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl.Cl"}, {"compound_id": "LB-CD023E1344AF", "smiles": "COc1ccc(C(=O)Nc2cc(-c3ccnc(N4CCC(O)CC4)c3)ccn2)cc1"}, {"compound_id": "LB-D43D08389926", "smiles": "CCN1CCN(CC(=O)Oc2c(C(C)C)cccc2C(C)C)CC1.Cl"}, {"compound_id": "LB-68908AD31CF9", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CN1CCCCC1C.Cl"}, {"compound_id": "LB-645726FEB9D6", "smiles": "CC1CCN(CC(=O)Oc2c(C(C)C)cccc2C(C)C)CC1.Cl"}, {"compound_id": "LB-EF520BBDBD99", "smiles": "CC1CCCN(CC(=O)Oc2c(C(C)C)cccc2C(C)C)C1.Cl"}, {"compound_id": "LB-C7CDA9BEBCF1", "smiles": "CCN(CC)CCC(=O)Oc1c(C(C)C)cccc1C(C)C.Cl"}, {"compound_id": "LB-8AA6CCBBF65F", "smiles": "CCCN(CCC)CCC(=O)Oc1c(C(C)C)cccc1C(C)C.Cl"}, {"compound_id": "LB-6D0FAF79FB87", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCN1CCCC1.Cl"}, {"compound_id": "LB-A7DC721C8C64", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCN1CCOCC1.Cl"}, {"compound_id": "LB-BD69E567B2A8", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCN1CCN(C)CC1.Cl"}, {"compound_id": "LB-C6100EDA6DD3", "smiles": "CCN1CCN(CCC(=O)Oc2c(C(C)C)cccc2C(C)C)CC1.Cl"}, {"compound_id": "LB-868F79DA2332", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCN1CCCCC1.Cl"}, {"compound_id": "LB-415D9E899D6A", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCN1CCCCC1C.Cl"}, {"compound_id": "LB-A94D21EF0B4C", "smiles": "CC1CCN(CCC(=O)Oc2c(C(C)C)cccc2C(C)C)CC1.Cl"}, {"compound_id": "LB-9951EC9A3856", "smiles": "CC1CCCN(CCC(=O)Oc2c(C(C)C)cccc2C(C)C)C1.Cl"}, {"compound_id": "LB-3DD84FD9E9FE", "smiles": "CCN(CC)CC(=O)OCCCC(=O)Oc1c(C(C)C)cccc1C(C)C.Cl"}, {"compound_id": "LB-216C32E24A44", "smiles": "CCCN(CCC)CC(=O)OCCCC(=O)Oc1c(C(C)C)cccc1C(C)C.Cl"}, {"compound_id": "LB-357FE60E6B13", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCCOC(=O)CN1CCCC1.Cl"}, {"compound_id": "LB-C03940C94EA9", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCCOC(=O)CN1CCOCC1.Cl"}, {"compound_id": "LB-10DC8D61C177", "smiles": "CC1CCN(CC(=O)OCCCC(=O)Oc2c(C(C)C)cccc2C(C)C)CC1.Cl"}, {"compound_id": "LB-3280631D8C02", "smiles": "CCN1CCN(CC(=O)OCCCC(=O)Oc2c(C(C)C)cccc2C(C)C)CC1.Cl"}, {"compound_id": "LB-53221DC4B357", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCCOC(=O)CN1CCCCC1.Cl"}, {"compound_id": "LB-97C5073E4481", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCCOC(=O)CN1CCCCC1C.Cl"}, {"compound_id": "LB-9739AEA653D0", "smiles": "CC1CCCN(CC(=O)OCCCC(=O)Oc2c(C(C)C)cccc2C(C)C)C1.Cl"}, {"compound_id": "LB-1D70EAFB7190", "smiles": "CCN(CC)CCCC(=O)OCCCC(=O)Oc1c(C(C)C)cccc1C(C)C.Cl"}, {"compound_id": "LB-A43EB1401046", "smiles": "CCCN(CCC)CCCC(=O)OCCCC(=O)Oc1c(C(C)C)cccc1C(C)C.Cl"}, {"compound_id": "LB-17C639DD670F", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCCOC(=O)CCCN1CCCC1.Cl"}, {"compound_id": "LB-4FC52A50C9E8", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCCOC(=O)CCCN1CCOCC1.Cl"}, {"compound_id": "LB-51FF0F4A3A24", "smiles": "CC1CCN(CCCC(=O)OCCCC(=O)Oc2c(C(C)C)cccc2C(C)C)CC1.Cl"}, {"compound_id": "LB-46FFD281D3EC", "smiles": "CCN1CCN(CCCC(=O)OCCCC(=O)Oc2c(C(C)C)cccc2C(C)C)CC1.Cl"}, {"compound_id": "LB-A8436299B795", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCCOC(=O)CCCN1CCCCC1.Cl"}, {"compound_id": "LB-986CB727E587", "smiles": "CC(C)c1cccc(C(C)C)c1OC(=O)CCCOC(=O)CCCN1CCCCC1C.Cl"}, {"compound_id": "LB-FA3361304F32", "smiles": "CC1CCCN(CCCC(=O)OCCCC(=O)Oc2c(C(C)C)cccc2C(C)C)C1.Cl"}, {"compound_id": "LB-95F2B8A0A479", "smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CSc2cc(=O)oc3cc(OC)ccc23)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"}, {"compound_id": "LB-1113051F0C48", "smiles": "CCN1C[C@]2(OC(=O)c3ccccc3NC(=O)S(=O)(=O)c3cccc(F)c3)CC[C@H](OC)[C@]34C1[C@@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC"}, {"compound_id": "LB-CA5F5E0EEAB4", "smiles": "CN(C)CC[C@@H](Oc1cccc2c1OCO2)c1ccc(F)cc1.O=C(O)C(=O)O"}, {"compound_id": "LB-1ACC51E2F6AA", "smiles": "CNCC[C@H](Oc1cccc2ccccc12)c1cccs1"}, {"compound_id": "LB-AF10F8C5DB14", "smiles": "N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"}, {"compound_id": "LB-1EECDAFE26C3", "smiles": "N=C(N)NCCC[C@@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(N)=O"}, {"compound_id": "LB-A10A0B20EAE3", "smiles": "CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O.CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O"}, {"compound_id": "LB-86C9C68FE46D", "smiles": "CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(N)Cc1cccc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O"}, {"compound_id": "LB-583CBD05E245", "smiles": "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(N)=O"}, {"compound_id": "LB-8474EA1A70D5", "smiles": "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(N)=O"}, {"compound_id": "LB-17951A0BC0CD", "smiles": "CC(=O)Nc1nc(OCc2ccc(F)cc2)ccc1N"}, {"compound_id": "LB-4BEDF29BFE47", "smiles": "O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1"}, {"compound_id": "LB-A952100EA6D3", "smiles": "N#Cc1cc(Br)c(O)c(Br)c1"}, {"compound_id": "LB-9E2FED7B5E9D", "smiles": "N#Cc1cc(I)c(O)c(I)c1"}, {"compound_id": "LB-12A1E555CB40", "smiles": "COc1cc(/C=C/C(=O)Nc2ccc3sc(NCN4C(=O)CSC4=O)nc3c2)ccc1O"}, {"compound_id": "LB-5EA7AD291430", "smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CSc2nc(OC(=O)c3ccc(C(C)(C)C)cc3)cs2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"}, {"compound_id": "LB-7F00D8D561EE", "smiles": "C=C(C(=O)OC)N1c2nc(Cl)nc(Cl)c2N2C(c3ccccc3F)OC(C(=O)OCC)(C(=O)OCC)C12"}, {"compound_id": "LB-C74E850D77E7", "smiles": "CC1(C)[C@@H](O)[C@H](OC(=O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c3ccc(O)cc3)C2)[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O"}, {"compound_id": "LB-A19482BB7713", "smiles": "CCC(=O)C[C@@H](O)C[C@@H](C)C[C@H](NC(=O)[C@@H]1C[C@H](C)CN1C(=O)/C=C/[C@@H](C)CC)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C)[C@H](O)C(C)C"}, {"compound_id": "LB-FAB685FF1EF5", "smiles": "Cc1[nH]c2ccccc2c1C1=C(F)C(=O)C(F)=C(N2CCOCC2)C1=O"}, {"compound_id": "LB-49331DC64355", "smiles": "CCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"}, {"compound_id": "LB-D4239982EA7B", "smiles": "CCCCCCCC(=O)NCCCC[C@H](NC(=O)CCCCCCC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O"}, {"compound_id": "LB-508C48F1358A", "smiles": "CC(C)(O)c1csc(S(=O)(=O)NC(=O)Nc2c(-c3cccc(Cl)c3Cl)ccc3c2CCC3)c1"}, {"compound_id": "LB-611B5E77B762", "smiles": "Cc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1nc(CN2CCOCC2)ns1"}, {"compound_id": "LB-75AE15FD008B", "smiles": "CN(CCO)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1"}, {"compound_id": "LB-48DE6819938C", "smiles": "Cc1cc(C[C@@H]2C[C@H]3C(=O)N(C)C4(C[C@H](C)CC[C@H]4C(C)C)N3O2)c(O)c(-n2nc3ccccc3n2)c1"}, {"compound_id": "LB-5F1ACBA18083", "smiles": "Cc1noc(C)c1-c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(NC(=O)c2ccccc2C(F)(F)F)c1"}, {"compound_id": "LB-DCD847B47BA9", "smiles": "COc1cc(/C=C/C(=O)O)ccc1O"}, {"compound_id": "LB-49F38F170C17", "smiles": "O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12"}, {"compound_id": "LB-2A7345048F83", "smiles": "O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12"}, {"compound_id": "LB-E068E561812D", "smiles": "CC1CC(C)CN(Cc2cc3c(cc2-c2cc4ccc5c(c4cn2)OCO5)OCO3)C1"}, {"compound_id": "LB-5E41AA3CF71D", "smiles": "CCC1CCCC(C)N1Cc1cc2c(cc1-c1cc3ccc4c(c3cn1)OCO4)OCO2"}, {"compound_id": "LB-119A30624FBD", "smiles": "N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(N)=O"}, {"compound_id": "LB-14DF528B77F8", "smiles": "CCCC(C)(COC(N)=O)COC(N)=O"}, {"compound_id": "LB-55E0CDD6BA33", "smiles": "C[Si](C)(C)c1cccc(C(=O)C(F)(F)F)c1"}, {"compound_id": "LB-BB28015332B5", "smiles": "CCOC(=O)/C=C1\\S/C(=N\\c2ccc(C(F)(F)F)cc2)N(CCCN2CCN(C)CC2)C1=O"}, {"compound_id": "LB-36972C4366D3", "smiles": "Cc1c(C(=O)N/N=C/c2ccccc2)nnn1-c1ccc(S(N)(=O)=O)cc1"}, {"compound_id": "LB-19E732478BF6", "smiles": "CN(C)C(=O)c1cc2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3Cl)nc2n1C1CCCC1"}]}
\ No newline at end of file