spark_compound_id stringlengths 11 11 | spark_SMILES stringlengths 13 285 | spark_synonyms stringclasses 44
values | spark_batch_name int64 1 49 | spark_compound_batch_id stringlengths 15 15 | compound_salt stringclasses 19
values | source_compound_name stringclasses 187
values | pubchem_id float64 | pubmed_id float64 21.3M 30M ⌀ | doi stringclasses 12
values | source_compound_id stringclasses 154
values | publication_date stringdate 2018-09-28 00:00:00 2021-03-03 00:00:00 | publication_reference stringclasses 16
values | spark_mic_project_name stringclasses 1
value | mic_micrograms_per_ml stringlengths 1 10 | mic_reported_as stringclasses 4
values | test_article_type stringclasses 2
values | mic_micromolar stringlengths 1 9 | mic_ineq_operator stringclasses 3
values | plain_mic_micromolar float64 0 576 | plain_pmic float64 3.24 9.06 | pmic float64 2.24 10.1 | growth_inhibition_threshold stringclasses 3
values | species stringclasses 1
value | strain_name stringclasses 5
values | strain_name_other stringclasses 5
values | is_clinical_isolate stringclasses 2
values | accumulation_phenotype stringclasses 1
value | strain_genotype stringclasses 2
values | solvent stringclasses 3
values | media stringclasses 7
values | mic_method stringclasses 4
values | curator_notes stringclasses 11
values | curation_date stringdate 2018-09-06 00:00:00 2021-02-21 00:00:00 ⌀ | subset_date stringdate 2020-04-09 00:00:00 2020-11-24 00:00:00 ⌀ | spark_extractor stringclasses 3
values | full_strain_name stringclasses 5
values | full_strain_name_with_genotype stringclasses 5
values | id stringlengths 12 12 | smiles stringlengths 11 275 | inchikey stringlengths 27 27 | scaffold stringlengths 5 143 ⌀ | mwt float64 123 1.7k | clogp float64 -6.74 7.49 | tpsa float64 3.24 697 | is_train bool 1
class | is_test bool 1
class | is_validation bool 1
class |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SPK-0256346 | CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CN)c(F)c1 | null | 1 | SPK-0256346-001 | No Salt, free base or acid | PMID:29554424 - Cmpd : 3 | null | 29,554,424 | https://dx.doi.org/10.1021/acs.jmedchem.8b00218 | 3 | 17/02/2021 | Liu 2018 J. Med. Chem. 61:3845 | Curated Data | > 197 | Mean | Test article | > 501 | gt | 501 | 3.300162 | 2.300162 | Visual | Acinetobacter baumannii | ATCC 17978 | 5377; NCDC KC 755 | No | Wild type | null | DMSO | MHBCa | CLSI | Table 1; JL | 21/02/2021 | 18/11/2020 | JL | Acinetobacter baumannii ATCC 17978 | Acinetobacter baumannii ATCC 17978 | SCB-59612255 | CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CN)CC3)c(F)c2)C(=O)O1 | PJXJVYZTQDPOHK-AWEZNQCLSA-N | O=C1OCCN1c1ccc(N2CCNCC2)cc1 | 393.181232 | -0.1057 | 108.21 | true | false | false |
SPK-0256140 | CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O | null | 2 | SPK-0256140-002 | No Salt, free base or acid | PMID:26734854 - Cmpd : Gentamicin | null | 26,734,854 | https://dx.doi.org/10.1021/acs.jmedchem.5b01593 | Gentamicin | 13/02/2021 | Gallardo-Godoy 2016 J. Med. Chem. 59:1068 | Curated Data | 32 | MIC | Control / Reference compound | 71.2 | eq | 71.2 | 4.14752 | 4.14752 | Visual | Acinetobacter baumannii | ATCC 19606 | CIP 70.34; DSM 6974; 2208; 81 | Yes | Wild type | null | null | Not specified | CLSI broth microdilution | Table 2; JL | 07/02/2021 | 07/11/2020 | JL | Acinetobacter baumannii ATCC 19606 | Acinetobacter baumannii ATCC 19606 | SCB-12377987 | CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O | VEGXETMJINRLTH-BOZYPMBZSA-N | C1CC[C@@H](O[C@@H]2CCC[C@H](O[C@@H]3CCCCO3)C2)OC1 | 449.284949 | -3.9767 | 213.72 | true | false | false |
SPK-0256085 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O | null | 1 | SPK-0256085-001 | No Salt, free base or acid | PMID:21319749 - Cmpd : [Pro3]TL | null | 21,319,749 | https://dx.doi.org/10.1021/jm1012853 | [Pro3]TL | 03/03/2021 | Mangoni 2011 J. Med. Chem. 54:1298 | Curated Data | 9.65 | MIC | Test article | 6 | eq | 6 | 5.221849 | 5.221849 | spectrophotometer -100% | Acinetobacter baumannii | ATCC 19606 | CIP 70.34; DSM 6974; 2208; 81 | Yes | Wild type | null | Ethanol | MHB | Broth microdilution | Table 2; CH | 03/01/2020 | 24/11/2020 | JL | Acinetobacter baumannii ATCC 19606 | Acinetobacter baumannii ATCC 19606 | SCB-25776416 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O | IHDIPKUESGTSEA-FOUPRROGSA-N | O=C(CCc1ccccc1)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NCCc1ccccc1 | 1,607.93404 | 0.38517 | 533.46 | true | false | false |
SPK-0256084 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O | null | 1 | SPK-0256084-001 | No Salt, free base or acid | PMID:21319749 - Cmpd : TL | null | 21,319,749 | https://dx.doi.org/10.1021/jm1012853 | TL | 03/03/2021 | Mangoni 2011 J. Med. Chem. 54:1298 | Curated Data | 9.84 | MIC | Test article | 6 | eq | 6 | 5.221849 | 5.221849 | spectrophotometer -100% | Acinetobacter baumannii | ATCC 19606 | CIP 70.34; DSM 6974; 2208; 81 | Yes | Wild type | null | Ethanol | MHB | Broth microdilution | Table 2; CH | 03/01/2020 | 24/11/2020 | JL | Acinetobacter baumannii ATCC 19606 | Acinetobacter baumannii ATCC 19606 | SCB-38030918 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O | SDXHFGQTTLDWPF-VTKIVCRMSA-N | O=C(CCc1ccccc1)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NCCc1ccccc1 | 1,638.939853 | -0.85553 | 585.34 | true | false | false |
SPK-0255611 | COc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NC(=O)c3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255611-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.82 | eq | 3.82 | 5.417937 | 5.417937 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-11240595 | COc1ccc2ncc(F)c(C[C@H](O)C34CCC(NC(=O)c5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | LWTMLUCOEAAVCY-RAYWSRASSA-N | O=C1COc2ccc(C(=O)NC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 523.186712 | 1.9186 | 144.79 | true | false | false |
SPK-0255602 | CNC(=O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3cc4OCCOc4cn3)c2n1 | null | 1 | SPK-0255602-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 32 | MIC | Test article | 59.5 | eq | 59.5 | 4.225483 | 4.225483 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-26746960 | CNC(=O)COc1ccc2ncc(F)c(CCC34CCC(NCc5cc6c(cn5)OCCO6)(CC3)CO4)c2n1 | HQAQDKALACBCAU-UHFFFAOYSA-N | c1cnc2c(CCC34CCC(NCc5cc6c(cn5)OCCO6)(CC3)CO4)ccnc2c1 | 537.238747 | 2.8641 | 116.72 | true | false | false |
SPK-0255601 | OCCNc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255601-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 4 | MIC | Test article | 7.65 | eq | 7.65 | 5.116339 | 5.116339 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-61427375 | O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(NCCO)nc56)(CC3)OC4)nc2N1 | KEYFYLOJJBRLQT-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 522.239082 | 2.7032 | 130.52 | true | false | false |
SPK-0255594 | CN(C)C(=O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255594-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 16 | MIC | Test article | 28.3 | eq | 28.3 | 4.548214 | 4.548214 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-49981817 | CN(C)C(=O)COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | LIRNZJCTRSWRJY-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 564.249646 | 2.766 | 127.8 | true | false | false |
SPK-0255590 | CNC(=O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255590-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 4 | MIC | Test article | 7.26 | eq | 7.26 | 5.139063 | 5.139063 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-62504766 | CNC(=O)COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | MFNVOCAEZQBGRD-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 550.233996 | 2.4238 | 136.59 | true | false | false |
SPK-0255589 | Fc1cnc2cccnc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1 | null | 1 | SPK-0255589-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 1 | MIC | Test article | 2.16 | eq | 2.16 | 5.665546 | 5.665546 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-98077531 | O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6cccnc56)(CC3)OC4)nc2N1 | RXTPXDFPFGCINK-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 463.201968 | 3.299 | 98.26 | true | false | false |
SPK-0255588 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCC3=Cc4c(F)ccc(F)c4NC3=O)c2n1 | null | 1 | SPK-0255588-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 8.00 | MIC | Test article | > 15.3 | gt | 15.3 | 4.815309 | 3.815309 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-57524039 | COc1ccc2ncc(F)c(CCC34CCC(NCc5cc6c(F)ccc(F)c6[nH]c5=O)(CC3)CO4)c2n1 | IGGHXWYDVMDYND-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 524.203525 | 4.7014 | 89.13 | true | false | false |
SPK-0255586 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCC3=Cc4c(F)ccc(F)c4N(C)C3=O)c2n1 | null | 1 | SPK-0255586-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 2.00 | MIC | Test article | > 3.71 | gt | 3.71 | 5.430626 | 4.430626 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-79693515 | COc1ccc2ncc(F)c(CCC34CCC(NCc5cc6c(F)ccc(F)c6n(C)c5=O)(CC3)CO4)c2n1 | GHEUSQFNMVKILT-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 538.219175 | 4.7118 | 78.27 | true | false | false |
SPK-0255584 | FC(F)Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255584-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 0.5 | MIC | Test article | 0.944 | eq | 0.944 | 6.025028 | 6.025028 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-54980915 | O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(OC(F)F)nc56)(CC3)OC4)nc2N1 | OGRDPXKCFUNCDF-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 529.193689 | 3.9004 | 107.49 | true | false | false |
SPK-0255583 | Fc1cnc2ccc(OCC3(CC3)C#N)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1 | null | 1 | SPK-0255583-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.58 | eq | 3.58 | 5.446117 | 5.446117 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-33651072 | N#CC1(COc2ccc3ncc(F)c(CCC45CCC(NCc6ccc7c(n6)NC(=O)CO7)(CC4)CO5)c3n2)CC1 | HGPBSZHFLNTGOF-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6ccc(OCC7CC7)nc56)(CC3)OC4)nc2N1 | 558.239082 | 3.98158 | 131.28 | true | false | false |
SPK-0255582 | OC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255582-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 26.6 | gt | 26.6 | 4.575118 | 3.575118 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-49879929 | O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(OCCC(F)(F)C(=O)O)nc56)(CC3)OC4)nc2N1 | CSTGEWWOGMITFK-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 601.214818 | 3.7878 | 144.79 | true | false | false |
SPK-0255581 | NC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255581-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 4 | MIC | Test article | 6.66 | eq | 6.66 | 5.176526 | 5.176526 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-18511155 | NC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | ATPGZRKICBQLSQ-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 600.230803 | 3.1885 | 150.58 | true | false | false |
SPK-0255580 | CCOC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255580-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 32 | MIC | Test article | 50.8 | eq | 50.8 | 4.294136 | 4.294136 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-69918639 | CCOC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | ONRUYAGLGNLXKI-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 629.246118 | 4.2663 | 133.79 | true | false | false |
SPK-0255579 | COC(=O)C1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1 | null | 1 | SPK-0255579-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 8 | MIC | Test article | 13.5 | eq | 13.5 | 4.869666 | 4.869666 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-84458585 | COC(=O)C1(COc2ccc3ncc(F)c(CCC45CCC(NCc6ccc7c(n6)NC(=O)CO7)(CC4)CO5)c3n2)CC1 | SDQZRJQWIQHIKN-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6ccc(OCC7CC7)nc56)(CC3)OC4)nc2N1 | 591.249312 | 3.631 | 133.79 | true | false | false |
SPK-0255577 | OC(=O)c1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255577-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 31.5 | gt | 31.5 | 4.501689 | 3.501689 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-61758241 | O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(C(=O)O)nc56)(CC3)OC4)nc2N1 | HEPXUQJKKPZPPU-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 507.191797 | 2.9972 | 135.56 | true | false | false |
SPK-0255576 | COC(=O)c1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255576-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.83 | eq | 3.83 | 5.416801 | 5.416801 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-88753712 | COC(=O)c1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | GUTOCTQLMMUUBN-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 521.207447 | 3.0856 | 124.56 | true | false | false |
SPK-0255574 | OC(=O)CCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255574-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 16 | MIC | Test article | 27.6 | eq | 27.6 | 4.559091 | 4.559091 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-32794111 | O=C(O)CCCCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | LLQTWPUPOTXGPN-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 579.249312 | 3.9327 | 144.79 | true | false | false |
SPK-0255573 | COC(=O)CCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255573-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 4.00 | MIC | Test article | > 6.74 | gt | 6.74 | 5.17134 | 4.17134 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-10974763 | COC(=O)CCCCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | FBXMQLGXPQSALD-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 593.264962 | 4.0211 | 133.79 | true | false | false |
SPK-0255571 | CCOC(=O)CCCOc1ccc2ncc(C#N)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255571-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 8 | MIC | Test article | 13.3 | eq | 13.3 | 4.876148 | 4.876148 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-43827629 | CCOC(=O)CCCOc1ccc2ncc(C#N)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | RXVBGRPDXDPPDO-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 600.269633 | 3.75368 | 157.58 | true | false | false |
SPK-0255570 | Fc1cnc2ccc(OCCCC#N)nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1 | null | 1 | SPK-0255570-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.66 | eq | 3.66 | 5.436519 | 5.436519 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-63182356 | N#CCCCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | RGHWQSMOWWEXGJ-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 546.239082 | 3.98158 | 131.28 | true | false | false |
SPK-0255569 | NC1CC1COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255569-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 0.25 | MIC | Test article | 0.456 | eq | 0.456 | 6.341035 | 6.341035 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-59588935 | NC1CC1COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | UQVNDLXCWMYEIP-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6ccc(OCC7CC7)nc56)(CC3)OC4)nc2N1 | 548.254732 | 3.025 | 133.51 | true | false | false |
SPK-0255567 | CCOC(=O)CCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255567-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.37 | eq | 3.37 | 5.47237 | 5.47237 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-77581469 | CCOC(=O)CCCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | AUMKIRNMXZPPIG-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 593.264962 | 4.0211 | 133.79 | true | false | false |
SPK-0255562 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCC3=Cc4cccc(Cl)c4N(C)C3=O)c2n1 | null | 1 | SPK-0255562-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 2.00 | MIC | Test article | > 3.72 | gt | 3.72 | 5.429457 | 4.429457 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-99920373 | COc1ccc2ncc(F)c(CCC34CCC(NCc5cc6cccc(Cl)c6n(C)c5=O)(CC3)CO4)c2n1 | DQGMFUNAZSRXOR-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 536.199047 | 5.087 | 78.27 | true | false | false |
SPK-0255559 | Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255559-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 4.17 | eq | 4.17 | 5.379864 | 5.379864 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-11108295 | O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(O)nc56)(CC3)OC4)nc2N1 | MBHXCYHYWQPDMS-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 479.196883 | 3.0046 | 118.49 | true | false | false |
SPK-0255554 | [NH3+]CC(O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255554-001 | 2.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 32 | MIC | Test article | 51.2 | eq | 51.2 | 4.29073 | 4.29073 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-11537057 | [NH3+]CC(O)COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | DFTZBCABZMFRQY-UHFFFAOYSA-P | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 554.264199 | 0.2544 | 159.94 | true | false | false |
SPK-0255551 | OCCOc1ccc2ncc(F)c(CC(O)C34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255551-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.47 | eq | 3.47 | 5.459671 | 5.459671 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-67688175 | O=C1COc2ccc(C[NH2+]C34CCC(C(O)Cc5c(F)cnc6ccc(OCCO)nc56)(CC3)OC4)nc2N1 | RAABKQRUDXNJMT-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 540.225288 | 0.6147 | 152.53 | true | false | false |
SPK-0255548 | COc1nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1F | null | 1 | SPK-0255548-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 1 | MIC | Test article | 1.82 | eq | 1.82 | 5.739929 | 5.739929 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-73560712 | COc1nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c(F)cnc2cc1F | XCSMKROOVVFXNT-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 512.210387 | 2.4205 | 112.07 | true | false | false |
SPK-0255547 | CC(C)(O)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255547-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 16 | MIC | Test article | 26.6 | eq | 26.6 | 4.575118 | 4.575118 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-46822228 | CC(C)(O)CCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | GBOBHDKFANTRAN-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 566.277324 | 2.8126 | 132.3 | true | false | false |
SPK-0255543 | CC(O)CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255543-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 16 | MIC | Test article | 27.2 | eq | 27.2 | 4.565431 | 4.565431 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-96942285 | CC(O)CCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | CPALNVBUAXEUEA-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 552.261674 | 2.4225 | 132.3 | true | false | false |
SPK-0255537 | OCCCOc1ccc2ncc(F)c(CC(O)C34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255537-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.39 | eq | 3.39 | 5.4698 | 5.4698 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-11327027 | O=C1COc2ccc(C[NH2+]C34CCC(C(O)Cc5c(F)cnc6ccc(OCCCO)nc56)(CC3)OC4)nc2N1 | GOSJYGIGXHPKNH-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 554.240938 | 1.0048 | 152.53 | true | false | false |
SPK-0255536 | Fc1cnc2ccc(OCC=C)nc2c1CCC12CCC(CC1)(CO2)[NH2+]Cc1ccc2OCC(=O)Nc2n1 | null | 1 | SPK-0255536-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.6 | eq | 3.6 | 5.443697 | 5.443697 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-20472343 | C=CCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | UOTDABQSENKCSO-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 520.235459 | 2.8376 | 112.07 | true | false | false |
SPK-0255535 | Fc1cnc2ccc(OCC(F)(F)F)nc2c1CCC12CCC(CC1)(CO2)[NH2+]Cc1ccc2OCC(=O)Nc2n1 | null | 1 | SPK-0255535-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 8 | MIC | Test article | 13.4 | eq | 13.4 | 4.872895 | 4.872895 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-63967704 | O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCC(F)(F)F)nc56)(CC3)OC4)nc2N1 | FNMQWAJVVVNDOF-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 562.207194 | 3.2139 | 112.07 | true | false | false |
SPK-0255534 | CC(O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255534-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.48 | eq | 3.48 | 5.458421 | 5.458421 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-96083271 | CC(O)COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | FLQUYKJMJBBQNI-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 538.246024 | 2.0324 | 132.3 | true | false | false |
SPK-0255531 | OCC(O)COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255531-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 4 | MIC | Test article | 6.78 | eq | 6.78 | 5.16877 | 5.16877 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-10070340 | O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCC(O)CO)nc56)(CC3)OC4)nc2N1 | ITDGSGSKYMTULC-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 554.240938 | 1.0048 | 152.53 | true | false | false |
SPK-0255529 | NC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1 | null | 1 | SPK-0255529-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 1 | MIC | Test article | 1.82 | eq | 1.82 | 5.739929 | 5.739929 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-33959564 | NC1(COc2ccc3ncc(F)c(CCC45CCC(NCc6ccc7c(n6)NC(=O)CO7)(CC4)CO5)c3n2)CC1 | BLMUTZYJPAPONW-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6ccc(OCC7CC7)nc56)(CC3)OC4)nc2N1 | 548.254732 | 3.1691 | 133.51 | true | false | false |
SPK-0255528 | O=C1COc2ccc(CNC34CCC(CCc5c(cnc6ccc(nc56)C#N)C#N)(CC3)OC4)nc2N1 | null | 1 | SPK-0255528-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 4.04 | eq | 4.04 | 5.393619 | 5.393619 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-11089154 | N#Cc1ccc2ncc(C#N)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | JIQBBLTUYJYCFO-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 495.201888 | 2.90326 | 145.84 | true | false | false |
SPK-0255526 | OCCOCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255526-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 16 | MIC | Test article | 26.5 | eq | 26.5 | 4.576754 | 4.576754 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-69355229 | O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCCOCCO)nc56)(CC3)OC4)nc2N1 | DBSWTWPDQCRYPY-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 568.256588 | 1.6605 | 141.53 | true | false | false |
SPK-0255525 | CCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255525-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.68 | eq | 3.68 | 5.434152 | 5.434152 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-10004974 | CCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | UCFIRUNAQQQREZ-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 508.235459 | 2.6715 | 112.07 | true | false | false |
SPK-0255524 | CC(C)Oc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255524-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 8 | MIC | Test article | 14.3 | eq | 14.3 | 4.844664 | 4.844664 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-55826022 | CC(C)Oc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | GRICKAAZQBDHJM-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 522.251109 | 3.06 | 112.07 | true | false | false |
SPK-0255522 | OCCCOc1ccc2ncc(C#N)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255522-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 4 | MIC | Test article | 7.34 | eq | 7.34 | 5.134304 | 5.134304 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-11423764 | N#Cc1cnc2ccc(OCCCO)nc2c1CCC12CCC(NCc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 | MURXRTWXVGTFOZ-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 544.243418 | 2.79278 | 151.51 | true | false | false |
SPK-0255521 | OCCOc1ccc2ncc(C#N)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255521-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.77 | eq | 3.77 | 5.423659 | 5.423659 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-30014763 | N#Cc1cnc2ccc(OCCO)nc2c1CCC12CCC(NCc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 | KPCUSHHKTYZSMW-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 530.227768 | 2.40268 | 151.51 | true | false | false |
SPK-0255519 | COc1ccc2nc(OC)cc(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255519-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 8.00 | MIC | Test article | > 14.8 | gt | 14.8 | 4.829738 | 3.829738 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-52376679 | COc1cc(CCC23CCC([NH2+]Cc4ccc5c(n4)NC(=O)CO5)(CC2)CO3)c2nc(OC)ccc2n1 | VXWNCQDVTWJQBA-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 506.239796 | 2.1509 | 121.3 | true | false | false |
SPK-0255518 | COc1ccc2ncc(F)c(CC(NC(C)=O)C34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255518-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 32.0 | MIC | Test article | > 54.5 | gt | 54.5 | 4.263603 | 3.263603 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-75318117 | COc1ccc2ncc(F)c(CC(NC(C)=O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | TVDCOCAXRLASBO-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 551.241273 | 1.396 | 141.17 | true | false | false |
SPK-0255515 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCC3=Cc4c(Cl)cccc4N(C)C3=O)c2n1 | null | 1 | SPK-0255515-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 32.0 | MIC | Test article | > 59.6 | gt | 59.6 | 4.224754 | 3.224754 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-57672331 | COc1ccc2ncc(F)c(CCC34CCC(NCc5cc6c(Cl)cccc6n(C)c5=O)(CC3)CO4)c2n1 | WTRPASPANYIXJV-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 536.199047 | 5.087 | 78.27 | true | false | false |
SPK-0255513 | COc1ccc2C=C(CNC34CCC(CCc5c(F)cnc6ccc(OC)nc56)(CC3)OC4)C(=O)N(C)c2c1 | null | 1 | SPK-0255513-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 30.0 | gt | 30 | 4.522879 | 3.522879 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-88649607 | COc1ccc2cc(CNC34CCC(CCc5c(F)cnc6ccc(OC)nc56)(CC3)OC4)c(=O)n(C)c2c1 | XJTDDPNTTITVDJ-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 532.248584 | 4.4422 | 87.5 | true | false | false |
SPK-0255512 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCC3=Cc4ccc(F)cc4N(C)C3=O)c2n1 | null | 1 | SPK-0255512-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 4.00 | MIC | Test article | > 7.68 | gt | 7.68 | 5.114639 | 4.114639 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-11333188 | COc1ccc2ncc(F)c(CCC34CCC(NCc5cc6ccc(F)cc6n(C)c5=O)(CC3)CO4)c2n1 | FPHDVYQUXJCYAY-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 520.228597 | 4.5727 | 78.27 | true | false | false |
SPK-0255509 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCC3=Cc4ccc(Cl)cc4N(C)C3=O)c2n1 | null | 1 | SPK-0255509-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 8.00 | MIC | Test article | > 14.9 | gt | 14.9 | 4.826814 | 3.826814 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-78036823 | COc1ccc2ncc(F)c(CCC34CCC(NCc5cc6ccc(Cl)cc6n(C)c5=O)(CC3)CO4)c2n1 | MNCJOYYTUKGSFH-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 536.199047 | 5.087 | 78.27 | true | false | false |
SPK-0255508 | COC1=C(CNC23CCC(CCc4c(F)cnc5ccc(OC)nc45)(CC2)OC3)C(=O)N(C)c2ccccc12 | null | 1 | SPK-0255508-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 32.0 | MIC | Test article | > 60.1 | gt | 60.1 | 4.221126 | 3.221126 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-36865835 | COc1ccc2ncc(F)c(CCC34CCC(NCc5c(OC)c6ccccc6n(C)c5=O)(CC3)CO4)c2n1 | JDVRZTZVDBSJJI-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 532.248584 | 4.4422 | 87.5 | true | false | false |
SPK-0255507 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCC3=Cc4cc(OC)c(OC)cc4N(C)C3=O)c2n1 | null | 1 | SPK-0255507-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 28.4 | gt | 28.4 | 4.546682 | 3.546682 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-71757038 | COc1ccc2ncc(F)c(CCC34CCC(NCc5cc6cc(OC)c(OC)cc6n(C)c5=O)(CC3)CO4)c2n1 | DECLRTJPNZAGHK-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 562.259148 | 4.4508 | 96.73 | true | false | false |
SPK-0255506 | COc1ccc2N(C)C(=O)C(CNC34CCC(CCc5c(F)cnc6ccc(OC)nc56)(CC3)OC4)=Cc2c1 | null | 1 | SPK-0255506-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 30.0 | gt | 30 | 4.522879 | 3.522879 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-16998572 | COc1ccc2c(c1)cc(CNC13CCC(CCc4c(F)cnc5ccc(OC)nc45)(CC1)OC3)c(=O)n2C | ADGZRQTXLMWFPQ-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 532.248584 | 4.4422 | 87.5 | true | false | false |
SPK-0255505 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCC3=Cc4cc(Cl)ccc4N(C)C3=O)c2n1 | null | 1 | SPK-0255505-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 29.8 | gt | 29.8 | 4.525784 | 3.525784 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-17875020 | COc1ccc2ncc(F)c(CCC34CCC(NCc5cc6cc(Cl)ccc6n(C)c5=O)(CC3)CO4)c2n1 | DRCBXROKLHDQHT-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 536.199047 | 5.087 | 78.27 | true | false | false |
SPK-0255504 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCC3=Cc4cc(F)ccc4N(C)C3=O)c2n1 | null | 1 | SPK-0255504-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 30.7 | gt | 30.7 | 4.512862 | 3.512862 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-74914512 | COc1ccc2ncc(F)c(CCC34CCC(NCc5cc6cc(F)ccc6n(C)c5=O)(CC3)CO4)c2n1 | PINNVXUJPWDKLA-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 520.228597 | 4.5727 | 78.27 | true | false | false |
SPK-0255503 | NCC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1 | null | 1 | SPK-0255503-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 4 | MIC | Test article | 7.11 | eq | 7.11 | 5.14813 | 5.14813 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-86096172 | NCC1(COc2ccc3ncc(F)c(CCC45CCC(NCc6ccc7c(n6)NC(=O)CO7)(CC4)CO5)c3n2)CC1 | DZQFDSBQRPUTFZ-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6ccc(OCC7CC7)nc56)(CC3)OC4)nc2N1 | 562.270382 | 3.4167 | 133.51 | true | false | false |
SPK-0255497 | COc1cc(OC)c2nccc(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255497-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 8 | MIC | Test article | 14.8 | eq | 14.8 | 4.829738 | 4.829738 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-10812320 | COc1cc(OC)c2nccc(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | UTLHZBPHIKAJMV-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 506.239796 | 2.1509 | 121.3 | true | false | false |
SPK-0255492 | OCC1(COc2ccc3ncc(F)c(CCC45CCC(CC4)(CO5)NCc4ccc5OCC(=O)Nc5n4)c3n2)CC1 | null | 1 | SPK-0255492-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 4 | MIC | Test article | 7.1 | eq | 7.1 | 5.148742 | 5.148742 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-10305340 | O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(OCC7(CO)CC7)nc56)(CC3)OC4)nc2N1 | LDCYXCYVKCIBDF-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6ccc(OCC7CC7)nc56)(CC3)OC4)nc2N1 | 563.254397 | 3.4503 | 127.72 | true | false | false |
SPK-0255490 | COc1ccc2ncc(F)c(CC(O)C34CCC(CC3)(CO4)[NH2+]Cc3nc4NC(=O)COc4cc3OC)c2n1 | null | 1 | SPK-0255490-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 16 | MIC | Test article | 27.8 | eq | 27.8 | 4.555955 | 4.555955 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-41407389 | COc1ccc2ncc(F)c(CC(O)C34CCC([NH2+]Cc5nc6c(cc5OC)OCC(=O)N6)(CC3)CO4)c2n1 | XIKSGTWGUXYRSH-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 540.225288 | 1.2608 | 141.53 | true | false | false |
SPK-0255489 | Nc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255489-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 4.18 | eq | 4.18 | 5.378824 | 5.378824 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-11282431 | Nc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | JEVFHPJPDIVJFF-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 478.212867 | 2.8812 | 124.28 | true | false | false |
SPK-0255488 | COC(Cc1c(F)cnc2ccc(OC)nc12)C12CCC(CC1)(CO2)[NH2+]Cc1ccc2OCC(=O)Nc2n1 | null | 1 | SPK-0255488-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 8 | MIC | Test article | 14.3 | eq | 14.3 | 4.844664 | 4.844664 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-59739134 | COc1ccc2ncc(F)c(CC(OC)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | QPSASROYWRAKFK-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 524.230374 | 1.9063 | 121.3 | true | false | false |
SPK-0255487 | NCCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255487-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 4 | MIC | Test article | 7.08 | eq | 7.08 | 5.149967 | 5.149967 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-87692774 | NCCCCCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | VUFOAJNCCLDYIJ-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 564.286032 | 3.8068 | 133.51 | true | false | false |
SPK-0255486 | Fc1cnc2ccc(nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)C#N | null | 1 | SPK-0255486-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 1 | MIC | Test article | 2.05 | eq | 2.05 | 5.688246 | 5.688246 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-28327095 | N#Cc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | ILFLTPHJLYDKRC-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 488.197217 | 3.17068 | 122.05 | true | false | false |
SPK-0255485 | COc1ccc2ncc(F)c(CC(O)C34CCC(CC3)(CO4)NCC3=Cc4ccccc4N(C)C3=O)c2n1 | null | 1 | SPK-0255485-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 64 | MIC | Test article | 123 | eq | 123 | 3.910095 | 3.910095 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-98116489 | COc1ccc2ncc(F)c(CC(O)C34CCC(NCc5cc6ccccc6n(C)c5=O)(CC3)CO4)c2n1 | CRZAOYCLXXPJRM-UHFFFAOYSA-N | O=c1[nH]c2ccccc2cc1CNC12CCC(CCc3ccnc4cccnc34)(CC1)OC2 | 518.232934 | 3.4044 | 98.5 | true | false | false |
SPK-0255484 | CN(C)c1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255484-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 8 | MIC | Test article | 15.8 | eq | 15.8 | 4.801343 | 4.801343 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-84710298 | CN(C)c1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | HYGNCGIVYDCLDT-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 506.244167 | 3.365 | 101.5 | true | false | false |
SPK-0255482 | COc1ccc2ncc(F)c(CC(O)C34CCC(CC3)(CO4)NCc3cc4OCCOc4cn3)c2n1 | null | 1 | SPK-0255482-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 4.03 | eq | 4.03 | 5.394695 | 5.394695 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-25838441 | COc1ccc2ncc(F)c(CC(O)C34CCC(NCc5cc6c(cn5)OCCO6)(CC3)CO4)c2n1 | OLOZPSRCROBHRI-UHFFFAOYSA-N | c1cnc2c(CCC34CCC(NCc5cc6c(cn5)OCCO6)(CC3)CO4)ccnc2c1 | 496.212198 | 2.7187 | 107.85 | true | false | false |
SPK-0255481 | NCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255481-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 8 | MIC | Test article | 14.5 | eq | 14.5 | 4.838632 | 4.838632 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-68474329 | NCCCCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | PPLZYPDLRUCVGQ-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 550.270382 | 3.4167 | 133.51 | true | false | false |
SPK-0255480 | OCCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255480-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 8 | MIC | Test article | 14.1 | eq | 14.1 | 4.850781 | 4.850781 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-89121991 | O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(OCCCCCO)nc56)(CC3)OC4)nc2N1 | ATODYUVMSIEGRJ-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 565.270047 | 3.8404 | 127.72 | true | false | false |
SPK-0255478 | COc1cc2nccc(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2nc1C(O)=O | null | 1 | SPK-0255478-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 28.8 | gt | 28.8 | 4.540608 | 3.540608 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-10578168 | COc1cc2nccc(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2nc1C(=O)O | YUGWXMFOVWSSAF-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 520.21906 | 1.8405 | 149.37 | true | false | false |
SPK-0255476 | COc1cc2nccc(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2nc1C#N | null | 1 | SPK-0255476-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 32 | MIC | Test article | 59.6 | eq | 59.6 | 4.224754 | 4.224754 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-20867546 | COc1cc2nccc(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2nc1C#N | BFVYILGFEODFHY-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 501.22448 | 2.01398 | 135.86 | true | false | false |
SPK-0255475 | Cc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255475-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.89 | eq | 3.89 | 5.41005 | 5.41005 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-21118408 | Cc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | HMKRKNIGUHIIBQ-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 478.224894 | 2.58122 | 102.84 | true | false | false |
SPK-0255474 | Fc1cnc2cc(cnc2c1CCC12CCC(CC1)(CO2)[NH2+]Cc1ccc2OCC(=O)Nc2n1)C(F)(F)F | null | 1 | SPK-0255474-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 28.2 | gt | 28.2 | 4.549751 | 3.549751 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-53172460 | O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6cc(C(F)(F)F)cnc56)(CC3)OC4)nc2N1 | CTNBGVIPBVIIHQ-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 532.196629 | 3.2916 | 102.84 | true | false | false |
SPK-0255473 | OCCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255473-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.63 | eq | 3.63 | 5.440093 | 5.440093 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-99025572 | O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(OCCCCO)nc56)(CC3)OC4)nc2N1 | GXTVQPOIAIZQBV-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 551.254397 | 3.4503 | 127.72 | true | false | false |
SPK-0255470 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc(OC(F)F)c(OC)c3)c2n1 | null | 1 | SPK-0255470-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 4.00 | MIC | Test article | > 7.73 | gt | 7.73 | 5.111821 | 4.111821 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-57791054 | COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc(OC(F)F)c(OC)c5)(CC3)CO4)c2n1 | XFWBLGYLKSUBSQ-UHFFFAOYSA-N | c1ccc(CNC23CCC(CCc4ccnc5cccnc45)(CC2)OC3)cc1 | 517.218841 | 5.1917 | 74.73 | true | false | false |
SPK-0255463 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3cc(Cl)c(O)c(OC)c3)c2n1 | null | 1 | SPK-0255463-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 31.9 | gt | 31.9 | 4.496209 | 3.496209 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-25307178 | COc1ccc2ncc(F)c(CCC34CCC(NCc5cc(Cl)c(O)c(OC)c5)(CC3)CO4)c2n1 | GIELLNZZPXTNOZ-UHFFFAOYSA-N | c1ccc(CNC23CCC(CCc4ccnc5cccnc45)(CC2)OC3)cc1 | 501.183062 | 4.9493 | 85.73 | true | false | false |
SPK-0255462 | COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc(OCCO)c(OC)c3)c2n1 | null | 1 | SPK-0255462-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 32.0 | MIC | Test article | > 62.5 | gt | 62.5 | 4.20412 | 3.20412 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-83464682 | COc1ccc2ncc(F)c(CCC34CCC(NCc5ccc(OCCO)c(OC)c5)(CC3)CO4)c2n1 | FAJSPCYINJCLGJ-UHFFFAOYSA-N | c1ccc(CNC23CCC(CCc4ccnc5cccnc45)(CC2)OC3)cc1 | 511.248249 | 3.9614 | 94.96 | true | false | false |
SPK-0255459 | COc1ccc2ncc(C#N)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255459-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 1 | MIC | Test article | 2 | eq | 2 | 5.69897 | 5.69897 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-76563004 | COc1ccc2ncc(C#N)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | WCYXNADXJFLPLU-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 500.217203 | 3.04018 | 131.28 | true | false | false |
SPK-0255458 | NCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255458-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.73 | eq | 3.73 | 5.428291 | 5.428291 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-10434514 | NCCCOc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | UZTUCRSUEBSPQL-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 536.254732 | 3.0266 | 133.51 | true | false | false |
SPK-0255457 | OCCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255457-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.72 | eq | 3.72 | 5.429457 | 5.429457 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-79629908 | O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(OCCCO)nc56)(CC3)OC4)nc2N1 | DDGUECXQOLRLTK-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 537.238747 | 3.0602 | 127.72 | true | false | false |
SPK-0255456 | Cc1nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N | null | 1 | SPK-0255456-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 30.7 | gt | 30.7 | 4.512862 | 3.512862 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-73555124 | Cc1nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1C#N | NGNXHJDLPHMLFY-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 485.229565 | 2.3138 | 126.63 | true | false | false |
SPK-0255455 | COc1nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N | null | 1 | SPK-0255455-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 64 | MIC | Test article | 119 | eq | 119 | 3.924453 | 3.924453 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-50554491 | COc1nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1C#N | JJAVZBMRFRBWDW-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 501.22448 | 2.01398 | 135.86 | true | false | false |
SPK-0255454 | Cc1cc(nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc12)C#N | null | 1 | SPK-0255454-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 4 | MIC | Test article | 7.68 | eq | 7.68 | 5.114639 | 5.114639 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-77757620 | Cc1cc(C#N)nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc12 | DRSVXWHVRMRVHN-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 485.229565 | 2.3138 | 126.63 | true | false | false |
SPK-0255453 | CN(C)c1nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc2cc1F | null | 1 | SPK-0255453-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 16 | MIC | Test article | 29.5 | eq | 29.5 | 4.530178 | 4.530178 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-29772617 | CN(C)c1nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1F | VDRAVYVWNMRWRJ-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 507.251444 | 2.3388 | 106.08 | true | false | false |
SPK-0255452 | FC(F)(F)c1cnc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc2c1 | null | 1 | SPK-0255452-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 64.0 | MIC | Test article | > 116 | gt | 116 | 3.935542 | 2.935542 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-62783869 | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cc(C(F)(F)F)cnc56)(CC3)OC4)nc2N1 | DUYSYYLKFVSLPK-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 514.206051 | 3.1525 | 102.84 | true | false | false |
SPK-0255451 | CCOC(=O)Cc1ccc2nccc(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255451-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 64 | MIC | Test article | 113 | eq | 113 | 3.946922 | 3.946922 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-86600149 | CCOC(=O)Cc1ccc2nccc(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | WGDSYECIVVZAFS-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 532.255446 | 2.2393 | 129.14 | true | false | false |
SPK-0255448 | CN(C)c1nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1C(F)(F)F | null | 1 | SPK-0255448-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 8.00 | MIC | Test article | > 13.1 | gt | 13.1 | 4.882729 | 3.882729 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-88983653 | CN(C)c1nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c(F)cnc2cc1C(F)(F)F | NXYIXANPOKONHP-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 575.238828 | 3.3576 | 106.08 | true | false | false |
SPK-0255447 | COc1nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1Cl | null | 1 | SPK-0255447-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 4 | MIC | Test article | 7.09 | eq | 7.09 | 5.149354 | 5.149354 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-57281533 | COc1nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c(F)cnc2cc1Cl | BDZIINJGNHDBJN-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 528.180837 | 2.9348 | 112.07 | true | false | false |
SPK-0255446 | Fc1cnc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc2c1 | null | 1 | SPK-0255446-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 16 | MIC | Test article | 32 | eq | 32 | 4.49485 | 4.49485 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-64388569 | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cc(F)cnc56)(CC3)OC4)nc2N1 | PBBOZWAACFELNZ-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 464.209244 | 2.2728 | 102.84 | true | false | false |
SPK-0255445 | CCOC(=O)c1c(OC)cnc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc12 | null | 1 | SPK-0255445-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 27.4 | gt | 27.4 | 4.562249 | 3.562249 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-39006481 | CCOC(=O)c1c(OC)cnc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc12 | LXYNMZQDPFEWFU-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 548.25036 | 2.319 | 138.37 | true | false | false |
SPK-0255444 | COc1nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc2cc1F | null | 1 | SPK-0255444-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.77 | eq | 3.77 | 5.423659 | 5.423659 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-58079348 | COc1nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1F | NACWNTSDETVYGS-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 494.219809 | 2.2814 | 112.07 | true | false | false |
SPK-0255443 | CCOc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255443-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 4 | MIC | Test article | 7.17 | eq | 7.17 | 5.144481 | 5.144481 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-21790556 | CCOc1cc(C)c2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | OZMIGRXTWZPPDK-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 522.251109 | 2.97992 | 112.07 | true | false | false |
SPK-0255442 | Cc1cc(nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c(F)cnc12)S(C)(=O)=O | null | 1 | SPK-0255442-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.38 | eq | 3.38 | 5.471083 | 5.471083 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-33716048 | Cc1cc(S(C)(=O)=O)nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c(F)cnc12 | RDBDMDKGHUCBKR-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 556.202445 | 1.98472 | 136.98 | true | false | false |
SPK-0255441 | CN(C)c1nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc2cc1C(F)(F)F | null | 1 | SPK-0255441-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 8.00 | MIC | Test article | > 13.5 | gt | 13.5 | 4.869666 | 3.869666 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-87954780 | CN(C)c1nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1C(F)(F)F | ZJDAPEQJSXHCSQ-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 557.24825 | 3.2185 | 106.08 | true | false | false |
SPK-0255440 | FC(F)(F)c1ccc2nccc(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255440-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 8 | MIC | Test article | 14.5 | eq | 14.5 | 4.838632 | 4.838632 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-10308219 | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6ccc(C(F)(F)F)nc56)(CC3)OC4)nc2N1 | KLQSQCOFPGFUBN-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 514.206051 | 3.1525 | 102.84 | true | false | false |
SPK-0255439 | Cc1cc(nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc12)S(C)(=O)=O | null | 1 | SPK-0255439-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 16 | MIC | Test article | 27.9 | eq | 27.9 | 4.554396 | 4.554396 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-10675786 | Cc1cc(S(C)(=O)=O)nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc12 | PTFLGBBOPKLEKM-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 538.211867 | 1.84562 | 136.98 | true | false | false |
SPK-0255438 | FC(F)(F)COc1nc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N | null | 1 | SPK-0255438-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 64.0 | MIC | Test article | > 106 | gt | 106 | 3.974694 | 2.974694 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-91186489 | N#Cc1cc2nccc(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2nc1OCC(F)(F)F | PKMRPCGPUIPGMM-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 569.211864 | 2.94648 | 135.86 | true | false | false |
SPK-0255437 | CN(C)c1cnc2c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)ccnc2c1 | null | 1 | SPK-0255437-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | > 16.0 | MIC | Test article | > 30.5 | gt | 30.5 | 4.5157 | 3.5157 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-65043216 | CN(C)c1cnc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2c1 | LQOQCSXTRUOHTE-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 489.260865 | 2.1997 | 106.08 | true | false | false |
SPK-0255436 | COc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)[NH2+]Cc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255436-001 | 1.0 Hydrochloride | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 3.68 | eq | 3.68 | 5.434152 | 5.434152 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-41079999 | COc1cc(C)c2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | ZBAGPAIAXPURHB-UHFFFAOYSA-O | O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 508.235459 | 2.58982 | 112.07 | true | false | false |
SPK-0255432 | COc1ccc2ncc(O)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 | null | 1 | SPK-0255432-001 | No Salt, free base or acid | null | null | null | null | null | 18/11/2020 | Merck & Kyorin - GyrAB/ParCE inhibitors | Curated Data | 2 | MIC | Test article | 4.07 | eq | 4.07 | 5.390406 | 5.390406 | Visual | Acinetobacter baumannii | IID876 | null | No | Wild type | Wild type | DMSO | CAMHB | CLSI broth microdilution | TKW | 06/11/2020 | null | null | Acinetobacter baumannii IID876 | Acinetobacter baumannii IID876 Wild type | SCB-59761543 | COc1ccc2ncc(O)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 | IJHGKXUQHWKCCE-UHFFFAOYSA-N | O=C1COc2ccc(CNC34CCC(CCc5ccnc6cccnc56)(CC3)OC4)nc2N1 | 491.216869 | 2.8741 | 127.72 | true | false | false |
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