"Molecule ChEMBL ID";"Molecule Name";"Molecule Max Phase";"Molecular Weight";"#RO5 Violations";"AlogP";"Compound Key";"Smiles";"Standard Type";"Standard Relation";"Standard Value";"Standard Units";"pChEMBL Value";"Data Validity Comment";"Comment";"Uo Units";"Ligand Efficiency BEI";"Ligand Efficiency LE";"Ligand Efficiency LLE";"Ligand Efficiency SEI";"Potential Duplicate";"Assay ChEMBL ID";"Assay Description";"Assay Type";"BAO Format ID";"BAO Label";"Assay Organism";"Assay Tissue ChEMBL ID";"Assay Tissue Name";"Assay Cell Type";"Assay Subcellular Fraction";"Assay Parameters";"Assay Variant Accession";"Assay Variant Mutation";"Target ChEMBL ID";"Target Name";"Target Organism";"Target Type";"Document ChEMBL ID";"Source ID";"Source Description";"Document Journal";"Document Year";"Cell ChEMBL ID";"Properties";"Action Type";"Standard Text Value" "CHEMBL5184894";"";"None";"916.22";"3";"5.74";"C-3";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCCC1";"MIC";"'='";"0.5";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129405";"Antibacterial activity against Streptococcus dysgalactiae incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Streptococcus dysgalactiae";"None";"None";"None";"None";"";"";"";"CHEMBL1075341";"Streptococcus dysgalactiae";"Streptococcus dysgalactiae";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" "CHEMBL5198466";"";"None";"902.19";"3";"5.35";"C-2";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1";"MIC";"'='";"0.5";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129417";"Antibacterial activity against Escherichia coli ATCC 25922 at pH 7.6 incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Escherichia coli";"None";"None";"None";"None";"";"";"";"CHEMBL354";"Escherichia coli";"Escherichia coli";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" "CHEMBL5179714";"";"None";"976.02";"3";"5.80";"A-7";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccc(Br)cc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO";"MIC";"'='";"32.0";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129403";"Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Klebsiella pneumoniae";"None";"None";"None";"None";"";"";"";"CHEMBL350";"Klebsiella pneumoniae";"Klebsiella pneumoniae";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" "CHEMBL5190735";"";"None";"904.16";"2";"3.93";"C-4";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCC(O)CC1";"MIC";"'='";"16.0";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129403";"Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Klebsiella pneumoniae";"None";"None";"None";"None";"";"";"";"CHEMBL350";"Klebsiella pneumoniae";"Klebsiella pneumoniae";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" "CHEMBL5199514";"";"None";"897.13";"3";"5.03";"1-23(A-2)";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO";"MIC";"'='";"4.0";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129408";"Antibacterial activity against Pseudomonas aeruginosa LTP-3 incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Pseudomonas aeruginosa";"None";"None";"None";"None";"";"";"";"CHEMBL348";"Pseudomonas aeruginosa";"Pseudomonas aeruginosa";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" 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"CHEMBL5198466";"";"None";"902.19";"3";"5.35";"C-2";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1";"MIC";"'='";"0.5";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129426";"Antibacterial activity against Staphylococcus aureus ATCC 29213 at pH 7.2 incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Staphylococcus aureus";"None";"None";"None";"None";"";"";"";"CHEMBL352";"Staphylococcus aureus";"Staphylococcus aureus";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" "CHEMBL5191683";"";"None";"916.22";"3";"5.45";"C-5";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CC(C)CC(C)C1";"MIC";"'='";"16.0";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129402";"Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Cronobacter sakazakii";"None";"None";"None";"None";"";"";"";"CHEMBL4523084";"Cronobacter sakazakii";"Cronobacter sakazakii";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" "CHEMBL5206160";"";"None";"821.03";"2";"3.46";"1-22(A-1)";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO";"MIC";"'='";"4.0";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129407";"Antibacterial activity against Escherichia coli incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Escherichia coli";"None";"None";"None";"None";"";"";"";"CHEMBL354";"Escherichia coli";"Escherichia coli";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" "CHEMBL5189248";"";"None";"848.10";"2";"4.03";"1-25(C-6)";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C";"MIC";"'='";"0.25";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129399";"Antibacterial activity against Staphylococcus aureus incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Staphylococcus aureus";"None";"None";"None";"None";"";"";"";"CHEMBL352";"Staphylococcus aureus";"Staphylococcus aureus";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" "CHEMBL5204817";"";"None";"899.10";"2";"3.82";"A-22";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2cncnc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO";"MIC";"'='";"32.0";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129403";"Antibacterial activity against Klebsiella pneumoniae ATCC 13883 incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Klebsiella pneumoniae";"None";"None";"None";"None";"";"";"";"CHEMBL350";"Klebsiella pneumoniae";"Klebsiella pneumoniae";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" "CHEMBL5188035";"";"None";"925.18";"3";"5.60";"A-14";"CCc1ccc(CN(CC[C@H]2C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](CO)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)Cc2cn(-c3cnc4ccccc4c3)nn2)cc1";"MIC";"'='";"16.0";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129402";"Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Cronobacter sakazakii";"None";"None";"None";"None";"";"";"";"CHEMBL4523084";"Cronobacter sakazakii";"Cronobacter sakazakii";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" 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"CHEMBL5196619";"";"None";"898.11";"2";"4.43";"A-15";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccncc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO";"MIC";"'='";"32.0";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129402";"Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Cronobacter sakazakii";"None";"None";"None";"None";"";"";"";"CHEMBL4523084";"Cronobacter sakazakii";"Cronobacter sakazakii";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" 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"CHEMBL5198466";"";"None";"902.19";"3";"5.35";"C-2";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1";"Activity";"'='";"449.33";"";"";"";"";"";"";"";"";"";"0";"CHEMBL5129457";"Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 1x10^-3 mg/plate incubated for 72 hrs in presence of liver S9 fraction by Ames test (Rvb = 465.33 +/- 18.04 No_unit)";"T";"BAO_0000220";"subcellular format";"Salmonella enterica subsp. enterica serovar Typhimurium";"CHEMBL3559723";"Liver";"None";"S9";"";"";"";"CHEMBL612558";"ADMET";"";"ADMET";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"TIME = 72.0 hr";"";"" 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hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Cronobacter sakazakii";"None";"None";"None";"None";"";"";"";"CHEMBL4523084";"Cronobacter sakazakii";"Cronobacter sakazakii";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" "CHEMBL5180308";"";"None";"876.15";"2";"4.81";"C-7";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(CC)CC";"MIC";"'='";"0.5";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129405";"Antibacterial activity against Streptococcus dysgalactiae incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Streptococcus dysgalactiae";"None";"None";"None";"None";"";"";"";"CHEMBL1075341";"Streptococcus dysgalactiae";"Streptococcus dysgalactiae";"ORGANISM";"CHEMBL5126592";"1";"Scientific 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hrs in presence of liver S9 fraction by Ames test (Rvb = 204.33 +/- 8.14 No_unit)";"T";"BAO_0000220";"subcellular format";"Salmonella enterica subsp. enterica serovar Typhimurium";"CHEMBL3559723";"Liver";"None";"S9";"";"";"";"CHEMBL612558";"ADMET";"";"ADMET";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"TIME = 72.0 hr";"";"" "CHEMBL5198466";"";"None";"902.19";"3";"5.35";"C-2";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCCC1";"Activity";"'='";"429.33";"";"";"";"";"";"";"";"";"";"0";"CHEMBL5129454";"Genotoxicity in Salmonella typhimurium TA102 assessed as number of revertants at 4x10^-5 mg/plate incubated for 72 hrs in absence of liver S9 fraction by Ames test (Rvb = 386.67 +/- 23.44 No_unit)";"T";"BAO_0000019";"assay format";"Salmonella enterica subsp. enterica serovar Typhimurium";"None";"None";"None";"None";"";"";"";"CHEMBL612558";"ADMET";"";"ADMET";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"TIME = 72.0 hr";"";"" "CHEMBL5199514";"";"None";"897.13";"3";"5.03";"1-23(A-2)";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(Cc2ccccc2)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO";"MIC";"'='";"32.0";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129402";"Antibacterial activity against Cronobacter sakazakii ATCC 29544 incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Cronobacter sakazakii";"None";"None";"None";"None";"";"";"";"CHEMBL4523084";"Cronobacter sakazakii";"Cronobacter sakazakii";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" 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"CHEMBL5189248";"";"None";"848.10";"2";"4.03";"1-25(C-6)";"CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)Cc2cn(-c3cnc4ccccc4c3)nn2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN(C)C";"MIC";"'='";"2.0";"ug.mL-1";"";"";"";"UO_0000274";"";"";"";"";"0";"CHEMBL5129408";"Antibacterial activity against Pseudomonas aeruginosa LTP-3 incubated for 16 to 20 hrs by broth microdilution method";"F";"BAO_0000218";"organism-based format";"Pseudomonas aeruginosa";"None";"None";"None";"None";"";"";"";"CHEMBL348";"Pseudomonas aeruginosa";"Pseudomonas aeruginosa";"ORGANISM";"CHEMBL5126592";"1";"Scientific Literature";"Eur J Med Chem";"2022";"None";"Time_Lower = 16.0 hrs | Time_Upper = 20.0 hrs";"";"" 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