smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccn2c(=O)c3ccccc3nc12 ZINC000058013920 195362174 /nfs/dbraw/zinc/36/21/74/195362174.db2.gz XEPPOJFMJQQUNP-UHFFFAOYSA-N 1 1 461.953 3.053 50 5 JGBAMO O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013148172 555348542 /nfs/dbraw/zinc/34/85/42/555348542.db2.gz MJUTZUQBTRHJDF-UHFFFAOYSA-N 1 1 494.573 3.135 50 5 JGBAMO O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000013893143 555641153 /nfs/dbraw/zinc/64/11/53/555641153.db2.gz VVAKMLDINXSUNF-UHFFFAOYSA-N 1 1 494.573 3.135 50 5 JGBAMO O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCO)CC1 ZINC000027527423 556287688 /nfs/dbraw/zinc/28/76/88/556287688.db2.gz WYIKADAHXBUDPV-UHFFFAOYSA-N 1 1 471.517 3.075 50 5 JGBAMO Cc1nn(Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000029716424 556356078 /nfs/dbraw/zinc/35/60/78/556356078.db2.gz CANZRHKDQWPTCW-UHFFFAOYSA-N 1 1 463.538 3.219 50 5 JGBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035844109 569714913 /nfs/dbraw/zinc/71/49/13/569714913.db2.gz UFBXMWZFKFEGKW-SYSFZUQMSA-N 1 1 480.908 3.296 50 5 JGBAMO O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870399 569718222 /nfs/dbraw/zinc/71/82/22/569718222.db2.gz OWJGVZALYRKXGJ-UKILVPOCSA-N 1 1 475.524 3.308 50 5 JGBAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000040135272 569817222 /nfs/dbraw/zinc/81/72/22/569817222.db2.gz IDNMCQZINMPVGY-LJQANCHMSA-N 1 1 488.610 3.500 50 5 JGBAMO O=C(NCCc1ccccn1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104916085 569846855 /nfs/dbraw/zinc/84/68/55/569846855.db2.gz MXLZVDKXBUZEPS-AZGAKELHSA-N 1 1 471.561 3.212 50 5 JGBAMO O=C(NCCc1ccccn1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677775 569868950 /nfs/dbraw/zinc/86/89/50/569868950.db2.gz KESTWDRSJQXAKU-RSXGOPAZSA-N 1 1 489.551 3.351 50 5 JGBAMO O=C(NCCc1ccccn1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678549 569869138 /nfs/dbraw/zinc/86/91/38/569869138.db2.gz MXLZVDKXBUZEPS-RSXGOPAZSA-N 1 1 471.561 3.212 50 5 JGBAMO O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169678752 569869328 /nfs/dbraw/zinc/86/93/28/569869328.db2.gz OWJGVZALYRKXGJ-ZCYQVOJMSA-N 1 1 475.524 3.308 50 5 JGBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248335151 570077828 /nfs/dbraw/zinc/07/78/28/570077828.db2.gz MMBCUTPJVMZYSX-HCWCBTOOSA-N 1 1 480.908 3.296 50 5 JGBAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 ZINC000009892779 195016887 /nfs/dbraw/zinc/01/68/87/195016887.db2.gz YUMCEGSOELRLKG-UHFFFAOYSA-N 1 1 473.961 3.479 50 5 JGBAMO CC[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccccc4F)[C@H](C)C3)c([N+](=O)[O-])cc2F)CC1 ZINC000012411961 521696687 /nfs/dbraw/zinc/69/66/87/521696687.db2.gz SCERFEKBRNJHCK-QGZVFWFLSA-N 1 1 473.524 3.366 50 5 JGBAMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013896901 555644322 /nfs/dbraw/zinc/64/43/22/555644322.db2.gz RAEQPQKRSAYAGA-UHFFFAOYSA-N 1 1 484.512 3.125 50 5 JGBAMO Cc1ccc(Nc2cc(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)nc(C)[nH+]2)cc1 ZINC000015671313 555928400 /nfs/dbraw/zinc/92/84/00/555928400.db2.gz RXPMBXDEFNOVMZ-UHFFFAOYSA-N 1 1 468.539 3.256 50 5 JGBAMO COCCN(C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740547 569655425 /nfs/dbraw/zinc/65/54/25/569655425.db2.gz ZASSCGVIFFJZTQ-IFMALSPDSA-N 1 1 459.518 3.071 50 5 JGBAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2cccc([N+](=O)[O-])c2)CC3)c1 ZINC000034755569 569655828 /nfs/dbraw/zinc/65/58/28/569655828.db2.gz DUQCKJMHHQFMKQ-UHFFFAOYSA-N 1 1 490.564 3.496 50 5 JGBAMO COc1ccccc1Oc1nc(N2CC[NH+](C)CC2)nc2c1CN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000034755619 569656072 /nfs/dbraw/zinc/65/60/72/569656072.db2.gz LNEUQSJCCFGWRV-UHFFFAOYSA-N 1 1 490.564 3.496 50 5 JGBAMO C[N@H+](Cc1cccnc1)C[C@H]1CCCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000065567243 569676161 /nfs/dbraw/zinc/67/61/61/569676161.db2.gz ZFSWSZOZYHPLKH-LJQANCHMSA-N 1 1 475.615 3.415 50 5 JGBAMO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)C[C@H](C)O1 ZINC000169681877 569870909 /nfs/dbraw/zinc/87/09/09/569870909.db2.gz JZMVUESFEMBUCL-NJLIDXMJSA-N 1 1 482.556 3.233 50 5 JGBAMO COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681922 569870950 /nfs/dbraw/zinc/87/09/50/569870950.db2.gz JQHCMCDYEWXHEJ-GMAHTHKFSA-N 1 1 472.973 3.264 50 5 JGBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248340275 570078100 /nfs/dbraw/zinc/07/81/00/570078100.db2.gz UQMNCONZWQQSDX-XMODTWTHSA-N 1 1 480.908 3.296 50 5 JGBAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2nc3ccc(Cl)cc3c(=O)n2c1 ZINC000058087243 195364440 /nfs/dbraw/zinc/36/44/40/195364440.db2.gz JDEJBRIUQPWTMX-UHFFFAOYSA-N 1 1 461.953 3.053 50 5 JGBAMO CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]Cc2ccccn2)cc1 ZINC000020154989 521513174 /nfs/dbraw/zinc/51/31/74/521513174.db2.gz RQDUUSQZLGILNG-UHFFFAOYSA-N 1 1 477.477 3.147 50 5 JGBAMO Nc1ccc([N+](=O)[O-])cc1N(CC(=O)c1ccc(Cl)cc1)S(=O)(=O)C12CC[NH+](CC1)CC2 ZINC000009086706 554889003 /nfs/dbraw/zinc/88/90/03/554889003.db2.gz XVOSFAOSHYURTK-UHFFFAOYSA-N 1 1 478.958 3.088 50 5 JGBAMO COc1ccc(OCC[NH+]2CCN(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2)cc1 ZINC000023936769 556103054 /nfs/dbraw/zinc/10/30/54/556103054.db2.gz FNMAUKODWKBVBY-UHFFFAOYSA-N 1 1 497.577 3.362 50 5 JGBAMO CCN1CC[NH+](Cc2ccc(CNc3ccc(S(=O)(=O)NC(C)C)cc3[N+](=O)[O-])cc2)CC1 ZINC000032932654 556547826 /nfs/dbraw/zinc/54/78/26/556547826.db2.gz UYHIGTOACZHKCZ-UHFFFAOYSA-N 1 1 475.615 3.031 50 5 JGBAMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000040149201 569818698 /nfs/dbraw/zinc/81/86/98/569818698.db2.gz BFGVMXJHOMIEFV-ZDUSSCGKSA-N 1 1 459.304 3.410 50 5 JGBAMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000040149201 569818699 /nfs/dbraw/zinc/81/86/99/569818699.db2.gz BFGVMXJHOMIEFV-ZDUSSCGKSA-N 1 1 459.304 3.410 50 5 JGBAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000245281418 570062265 /nfs/dbraw/zinc/06/22/65/570062265.db2.gz ZASSCGVIFFJZTQ-UNMCSNQZSA-N 1 1 459.518 3.071 50 5 JGBAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000248001330 570072401 /nfs/dbraw/zinc/07/24/01/570072401.db2.gz SYYYISVJFAHUOC-ZBAMRAGRSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000248001330 570072402 /nfs/dbraw/zinc/07/24/02/570072402.db2.gz SYYYISVJFAHUOC-ZBAMRAGRSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000102892023 130374462 /nfs/dbraw/zinc/37/44/62/130374462.db2.gz SNEZOXROAPVRQK-FLFXDLLNSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000102892023 130374466 /nfs/dbraw/zinc/37/44/66/130374466.db2.gz SNEZOXROAPVRQK-FLFXDLLNSA-N 1 1 480.908 3.296 50 5 JGBAMO CC[NH+]1CCN(c2cc(N3CCN(C(=O)c4cccs4)[C@H](C)C3)c([N+](=O)[O-])cc2F)CC1 ZINC000016383250 521696899 /nfs/dbraw/zinc/69/68/99/521696899.db2.gz LAWBGVSIGKMNIF-MRXNPFEDSA-N 1 1 461.563 3.288 50 5 JGBAMO CC[NH+](CC)c1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(nc32)n(C)c(=O)n(C)c4=O)cc1 ZINC000009210883 554980438 /nfs/dbraw/zinc/98/04/38/554980438.db2.gz RTYFHBKMMBYFDK-UHFFFAOYSA-N 1 1 487.520 3.097 50 5 JGBAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1[N+](=O)[O-] ZINC000016001088 556106004 /nfs/dbraw/zinc/10/60/04/556106004.db2.gz SYYYISVJFAHUOC-DOGKRZLPSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1[N+](=O)[O-] ZINC000016001088 556106006 /nfs/dbraw/zinc/10/60/06/556106006.db2.gz SYYYISVJFAHUOC-DOGKRZLPSA-N 1 1 480.908 3.296 50 5 JGBAMO CCC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000008666221 562948819 /nfs/dbraw/zinc/94/88/19/562948819.db2.gz AWKVHISJBMJMNQ-UHFFFAOYSA-N 1 1 483.544 3.041 50 5 JGBAMO CCn1c2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835922 569636564 /nfs/dbraw/zinc/63/65/64/569636564.db2.gz ZYCTUHOYAPBFDZ-UHFFFAOYSA-N 1 1 472.505 3.235 50 5 JGBAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740546 569655407 /nfs/dbraw/zinc/65/54/07/569655407.db2.gz ZASSCGVIFFJZTQ-RBBKRZOGSA-N 1 1 459.518 3.071 50 5 JGBAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 ZINC000065567247 569676177 /nfs/dbraw/zinc/67/61/77/569676177.db2.gz ZFSWSZOZYHPLKH-IBGZPJMESA-N 1 1 475.615 3.415 50 5 JGBAMO O=C(NCCc1ccccn1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000035870211 569718156 /nfs/dbraw/zinc/71/81/56/569718156.db2.gz MXLZVDKXBUZEPS-AHWVRZQESA-N 1 1 471.561 3.212 50 5 JGBAMO C[N@H+]1CCN(CCNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000036420006 569775714 /nfs/dbraw/zinc/77/57/14/569775714.db2.gz UIIKLLXDSWSCCG-QFIPXVFZSA-N 1 1 475.615 3.072 50 5 JGBAMO CC1CCN(S(=O)(=O)c2ccc(N3CCC([N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c([N+](=O)[O-])c2)CC1 ZINC000040135267 569817271 /nfs/dbraw/zinc/81/72/71/569817271.db2.gz QNAFJEYICZMRNU-KDURUIRLSA-N 1 1 480.631 3.093 50 5 JGBAMO O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000104920647 569847393 /nfs/dbraw/zinc/84/73/93/569847393.db2.gz MCLJBJWUAIGTRW-WMTXJRDZSA-N 1 1 484.984 3.407 50 5 JGBAMO O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678413 569869184 /nfs/dbraw/zinc/86/91/84/569869184.db2.gz MBMDZOUGXIXUOP-NOZRDPDXSA-N 1 1 457.534 3.169 50 5 JGBAMO O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169678751 569869250 /nfs/dbraw/zinc/86/92/50/569869250.db2.gz OWJGVZALYRKXGJ-NOZRDPDXSA-N 1 1 475.524 3.308 50 5 JGBAMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000195529360 569873500 /nfs/dbraw/zinc/87/35/00/569873500.db2.gz UGXBZOMFBWODLP-UONOGXRCSA-N 1 1 476.331 3.430 50 5 JGBAMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000195529360 569873501 /nfs/dbraw/zinc/87/35/01/569873501.db2.gz UGXBZOMFBWODLP-UONOGXRCSA-N 1 1 476.331 3.430 50 5 JGBAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000245225309 570054802 /nfs/dbraw/zinc/05/48/02/570054802.db2.gz RUDXZHXEFNHZKE-OALUTQOASA-N 1 1 460.556 3.085 50 5 JGBAMO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000248092780 570073907 /nfs/dbraw/zinc/07/39/07/570073907.db2.gz HILNBSFOFBPYJF-IPRDPGLQSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000248092780 570073908 /nfs/dbraw/zinc/07/39/08/570073908.db2.gz HILNBSFOFBPYJF-IPRDPGLQSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1nc2c3ccccc3n3c(CCCC(=O)NCCC[N@H+](C)Cc4ccccc4)nnc3n2n1 ZINC000009860216 195000338 /nfs/dbraw/zinc/00/03/38/195000338.db2.gz JJEFOMGSGSTICS-UHFFFAOYSA-N 1 1 470.581 3.195 50 5 JGBAMO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000012700008 195091058 /nfs/dbraw/zinc/09/10/58/195091058.db2.gz WLCKFEZCXBNJBK-CALCHBBNSA-N 1 1 454.593 3.069 50 5 JGBAMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000012700008 195091061 /nfs/dbraw/zinc/09/10/61/195091061.db2.gz WLCKFEZCXBNJBK-CALCHBBNSA-N 1 1 454.593 3.069 50 5 JGBAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000016475339 521699299 /nfs/dbraw/zinc/69/92/99/521699299.db2.gz RSNBIYKNOAFGNP-UHFFFAOYSA-N 1 1 473.961 3.479 50 5 JGBAMO COc1ccc(OC)c(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])c1 ZINC000020442418 524871929 /nfs/dbraw/zinc/87/19/29/524871929.db2.gz YPCYKMJDHCVDMI-UHFFFAOYSA-N 1 1 465.514 3.050 50 5 JGBAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCN(c5c([N+](=O)[O-])ncn5C)CC3)n2)CCC4)CC1 ZINC000009201923 554972544 /nfs/dbraw/zinc/97/25/44/554972544.db2.gz MBUUOXACUPMFIB-UHFFFAOYSA-N 1 1 496.641 3.380 50 5 JGBAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]3CCC[N@@H+]32)cc1 ZINC000013557153 555494257 /nfs/dbraw/zinc/49/42/57/555494257.db2.gz XMUPEQLYMANZPM-NBYUQASBSA-N 1 1 453.882 3.392 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/nfs/dbraw/zinc/59/91/58/569599158.db2.gz FFDZNDGGPDSWJK-UHFFFAOYSA-N 1 1 476.599 3.311 50 5 JGBAMO O=C(NCc1cccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870398 569718367 /nfs/dbraw/zinc/71/83/67/569718367.db2.gz OWJGVZALYRKXGJ-ILBGXUMGSA-N 1 1 475.524 3.308 50 5 JGBAMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000040149603 569819276 /nfs/dbraw/zinc/81/92/76/569819276.db2.gz UGXBZOMFBWODLP-KBPBESRZSA-N 1 1 476.331 3.430 50 5 JGBAMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000040149603 569819277 /nfs/dbraw/zinc/81/92/77/569819277.db2.gz UGXBZOMFBWODLP-KBPBESRZSA-N 1 1 476.331 3.430 50 5 JGBAMO O=C(CN(CNc1cccc([N+](=O)[O-])c1)S(=O)(=O)C12CC[NH+](CC1)CC2)c1ccc(Cl)cc1 ZINC000009086669 518198510 /nfs/dbraw/zinc/19/85/10/518198510.db2.gz VBRLXUVWTUJKAT-UHFFFAOYSA-N 1 1 492.985 3.371 50 5 JGBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002197516 554089917 /nfs/dbraw/zinc/08/99/17/554089917.db2.gz MMBCUTPJVMZYSX-DOGKRZLPSA-N 1 1 480.908 3.296 50 5 JGBAMO CC(C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)[NH+]1CCOCC1 ZINC000012558571 556048294 /nfs/dbraw/zinc/04/82/94/556048294.db2.gz MPDBVFNCLHYIFD-HXUWFJFHSA-N 1 1 472.508 3.303 50 5 JGBAMO COc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2cccc([N+](=O)[O-])c2)CC3)cc1 ZINC000034755649 569656047 /nfs/dbraw/zinc/65/60/47/569656047.db2.gz XITBZQACPSOXOC-UHFFFAOYSA-N 1 1 490.564 3.496 50 5 JGBAMO COc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2ccccc2[N+](=O)[O-])CC3)cc1 ZINC000034755654 569656053 /nfs/dbraw/zinc/65/60/53/569656053.db2.gz MALWNPCCSZFNID-UHFFFAOYSA-N 1 1 490.564 3.496 50 5 JGBAMO CC(=O)N1CCN(c2ccc(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000071892161 569699153 /nfs/dbraw/zinc/69/91/53/569699153.db2.gz BOLPGMMVXVLHNE-XMMPIXPASA-N 1 1 499.999 3.484 50 5 JGBAMO O=C(NCCc1ccccn1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870382 569718322 /nfs/dbraw/zinc/71/83/22/569718322.db2.gz KESTWDRSJQXAKU-AZGAKELHSA-N 1 1 489.551 3.351 50 5 JGBAMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000040149202 569818585 /nfs/dbraw/zinc/81/85/85/569818585.db2.gz BFGVMXJHOMIEFV-CYBMUJFWSA-N 1 1 459.304 3.410 50 5 JGBAMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000040149202 569818586 /nfs/dbraw/zinc/81/85/86/569818586.db2.gz BFGVMXJHOMIEFV-CYBMUJFWSA-N 1 1 459.304 3.410 50 5 JGBAMO O=C(NCc1cccnc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104915541 569846733 /nfs/dbraw/zinc/84/67/33/569846733.db2.gz MBMDZOUGXIXUOP-UKILVPOCSA-N 1 1 457.534 3.169 50 5 JGBAMO CC1CCC(NS(=O)(=O)c2ccc(N3CCC[N@@H+](C[C@H]4CCCO4)CC3)c([N+](=O)[O-])c2)CC1 ZINC000247980507 570072065 /nfs/dbraw/zinc/07/20/65/570072065.db2.gz GHAKYUWNUZKCMS-SOAGJPPSSA-N 1 1 480.631 3.143 50 5 JGBAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cccn2c(=O)c3ccc(Cl)cc3nc12 ZINC000058087236 195364622 /nfs/dbraw/zinc/36/46/22/195364622.db2.gz DHRXRHUGZYMEBU-UHFFFAOYSA-N 1 1 461.953 3.053 50 5 JGBAMO CC[NH+]1CCN(c2cc(N3CCN(C(=O)c4cccs4)[C@@H](C)C3)c([N+](=O)[O-])cc2F)CC1 ZINC000016383246 521696422 /nfs/dbraw/zinc/69/64/22/521696422.db2.gz LAWBGVSIGKMNIF-INIZCTEOSA-N 1 1 461.563 3.288 50 5 JGBAMO COC[C@H](C)NS(=O)(=O)c1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000009516693 555308713 /nfs/dbraw/zinc/30/87/13/555308713.db2.gz QBFYEQPZBGAQIA-KRWDZBQOSA-N 1 1 497.017 3.274 50 5 JGBAMO COC[C@H](C)NS(=O)(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000009516693 555308716 /nfs/dbraw/zinc/30/87/16/555308716.db2.gz QBFYEQPZBGAQIA-KRWDZBQOSA-N 1 1 497.017 3.274 50 5 JGBAMO C[N@@H+]1CCCN(c2ccc(S(=O)(=O)Nc3ccccc3OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000015210401 555884501 /nfs/dbraw/zinc/88/45/01/555884501.db2.gz POJCVOYTTJWLQG-UHFFFAOYSA-N 1 1 456.471 3.139 50 5 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SGVSCXKEOFXFFO-UHFFFAOYSA-N 1 1 475.505 3.176 50 5 JGBAMO O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000019792389 556371168 /nfs/dbraw/zinc/37/11/68/556371168.db2.gz BKLSGEILQFCTBA-UHFFFAOYSA-N 1 1 471.517 3.075 50 5 JGBAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032865438 556515410 /nfs/dbraw/zinc/51/54/10/556515410.db2.gz IKOAELRUPJZUAU-LJQANCHMSA-N 1 1 491.548 3.086 50 5 JGBAMO Cc1ccc(-c2noc(CN3CC[NH+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 ZINC000032903214 556529697 /nfs/dbraw/zinc/52/96/97/556529697.db2.gz ALEWYAMMPKPUQP-UHFFFAOYSA-N 1 1 450.499 3.100 50 5 JGBAMO COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000061927124 569609423 /nfs/dbraw/zinc/60/94/23/569609423.db2.gz RRYHBHDEMHUOLU-UHFFFAOYSA-N 1 1 465.514 3.050 50 5 JGBAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851550 569716355 /nfs/dbraw/zinc/71/63/55/569716355.db2.gz BHHKDNBRFKGAJY-FVJVTNMWSA-N 1 1 480.908 3.296 50 5 JGBAMO CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1 ZINC000036311717 569759590 /nfs/dbraw/zinc/75/95/90/569759590.db2.gz UZDODSAFDFBGJD-WMZHIEFXSA-N 1 1 483.912 3.425 50 5 JGBAMO CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1 ZINC000036311717 569759591 /nfs/dbraw/zinc/75/95/91/569759591.db2.gz UZDODSAFDFBGJD-WMZHIEFXSA-N 1 1 483.912 3.425 50 5 JGBAMO COCCn1c(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)nnc1-c1ccccc1[N+](=O)[O-] ZINC000096290748 130040895 /nfs/dbraw/zinc/04/08/95/130040895.db2.gz OBNMVXSYTWUNGF-UHFFFAOYSA-N 1 1 496.593 3.180 50 5 JGBAMO CC(C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)[NH+]1CCOCC1 ZINC000012558573 556048302 /nfs/dbraw/zinc/04/83/02/556048302.db2.gz MPDBVFNCLHYIFD-FQEVSTJZSA-N 1 1 472.508 3.303 50 5 JGBAMO CC(C)[C@@H](CNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000012565113 556061795 /nfs/dbraw/zinc/06/17/95/556061795.db2.gz NCQBFDWPUNRQIQ-MTNXOHHFSA-N 1 1 481.663 3.136 50 5 JGBAMO CC1CCN(S(=O)(=O)c2ccc(NCC[NH+]3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)CC1 ZINC000031576825 556399730 /nfs/dbraw/zinc/39/97/30/556399730.db2.gz BLQGWVZNCWHECT-UHFFFAOYSA-N 1 1 487.626 3.250 50 5 JGBAMO Cc1ccc(-c2noc(CN3CC[NH+](CCC(=O)Nc4ccc([N+](=O)[O-])cc4C)CC3)n2)cc1 ZINC000032903215 556529894 /nfs/dbraw/zinc/52/98/94/556529894.db2.gz RNKIZCJZCBNPCH-UHFFFAOYSA-N 1 1 464.526 3.408 50 5 JGBAMO CN1CC[NH+](Cc2ccc(CNc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])cc2)CC1 ZINC000032932651 556547911 /nfs/dbraw/zinc/54/79/11/556547911.db2.gz NJJWFHBKTOPDNY-UHFFFAOYSA-N 1 1 487.626 3.129 50 5 JGBAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2ccc([N+](=O)[O-])cc2)CC3)c1 ZINC000034755573 569655910 /nfs/dbraw/zinc/65/59/10/569655910.db2.gz DVGDGGUMJSGYNU-UHFFFAOYSA-N 1 1 490.564 3.496 50 5 JGBAMO O=C(NCCc1ccccn1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870381 569718361 /nfs/dbraw/zinc/71/83/61/569718361.db2.gz KESTWDRSJQXAKU-AOYPEHQESA-N 1 1 489.551 3.351 50 5 JGBAMO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)C[C@@H](C)O1 ZINC000035894824 569723262 /nfs/dbraw/zinc/72/32/62/569723262.db2.gz JZMVUESFEMBUCL-IIZSORRHSA-N 1 1 482.556 3.233 50 5 JGBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000248340274 570078109 /nfs/dbraw/zinc/07/81/09/570078109.db2.gz UQMNCONZWQQSDX-GSRZOBFVSA-N 1 1 480.908 3.296 50 5 JGBAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1 ZINC000058087246 195364305 /nfs/dbraw/zinc/36/43/05/195364305.db2.gz ANYUMFQUFYMGDB-UHFFFAOYSA-N 1 1 461.953 3.053 50 5 JGBAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000058156517 195367168 /nfs/dbraw/zinc/36/71/68/195367168.db2.gz RUDXZHXEFNHZKE-MOPGFXCFSA-N 1 1 460.556 3.085 50 5 JGBAMO CC[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccccc4)[C@@H](C)C3)c([N+](=O)[O-])cc2F)CC1 ZINC000016383223 521696433 /nfs/dbraw/zinc/69/64/33/521696433.db2.gz XWOVDVLONAIALL-SFHVURJKSA-N 1 1 455.534 3.227 50 5 JGBAMO CC[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccccc4F)[C@@H](C)C3)c([N+](=O)[O-])cc2F)CC1 ZINC000014943637 521696668 /nfs/dbraw/zinc/69/66/68/521696668.db2.gz SCERFEKBRNJHCK-KRWDZBQOSA-N 1 1 473.524 3.366 50 5 JGBAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1[N+](=O)[O-] ZINC000020464129 524930023 /nfs/dbraw/zinc/93/00/23/524930023.db2.gz SYYYISVJFAHUOC-NARGUJOISA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1[N+](=O)[O-] ZINC000020464129 524930036 /nfs/dbraw/zinc/93/00/36/524930036.db2.gz SYYYISVJFAHUOC-NARGUJOISA-N 1 1 480.908 3.296 50 5 JGBAMO O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c(N3CC[NH+](CCO)CC3)nn12 ZINC000019901802 555535799 /nfs/dbraw/zinc/53/57/99/555535799.db2.gz RVIIDGGOWUACSV-UHFFFAOYSA-N 1 1 457.559 3.239 50 5 JGBAMO CC[C@@H](C)[N@@H+](C)Cc1cccc(C2(O)CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000020320599 555770489 /nfs/dbraw/zinc/77/04/89/555770489.db2.gz GHXLYITVWXRSTA-GOSISDBHSA-N 1 1 461.584 3.497 50 5 JGBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000464 556105010 /nfs/dbraw/zinc/10/50/10/556105010.db2.gz UQMNCONZWQQSDX-UAKAABGRSA-N 1 1 480.908 3.296 50 5 JGBAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032865439 556515402 /nfs/dbraw/zinc/51/54/02/556515402.db2.gz IKOAELRUPJZUAU-IBGZPJMESA-N 1 1 491.548 3.086 50 5 JGBAMO COc1ccc(C(=O)Nc2nccnc2C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000034716967 569651879 /nfs/dbraw/zinc/65/18/79/569651879.db2.gz LEJOEZRSSQHEIN-UHFFFAOYSA-N 1 1 490.520 3.040 50 5 JGBAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000101263001 569788395 /nfs/dbraw/zinc/78/83/95/569788395.db2.gz HMBXWFXTMTZORJ-UAKAABGRSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000101263001 569788397 /nfs/dbraw/zinc/78/83/97/569788397.db2.gz HMBXWFXTMTZORJ-UAKAABGRSA-N 1 1 480.908 3.296 50 5 JGBAMO C[C@@H]1C[N@@H+](C2CCN(c3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000040135264 569817216 /nfs/dbraw/zinc/81/72/16/569817216.db2.gz GEFYJLFVKMOMOI-KDURUIRLSA-N 1 1 480.631 3.238 50 5 JGBAMO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)C[C@@H](C)O1 ZINC000169681876 569870896 /nfs/dbraw/zinc/87/08/96/569870896.db2.gz JZMVUESFEMBUCL-MEROFXMNSA-N 1 1 482.556 3.233 50 5 JGBAMO COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681921 569870984 /nfs/dbraw/zinc/87/09/84/569870984.db2.gz JQHCMCDYEWXHEJ-GGAORHGYSA-N 1 1 472.973 3.264 50 5 JGBAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000245225310 570054859 /nfs/dbraw/zinc/05/48/59/570054859.db2.gz RUDXZHXEFNHZKE-RBUKOAKNSA-N 1 1 460.556 3.085 50 5 JGBAMO Cc1nnc(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000096290949 130041507 /nfs/dbraw/zinc/04/15/07/130041507.db2.gz OFTBXWPBRWDCCF-UHFFFAOYSA-N 1 1 452.540 3.164 50 5 JGBAMO O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014676093 526912241 /nfs/dbraw/zinc/91/22/41/526912241.db2.gz HVDWKTLUPFCDFU-UHFFFAOYSA-N 1 1 471.510 3.163 50 5 JGBAMO CC[C@H](C)[N@@H+](C)Cc1cccc(C2(O)CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000020320604 555770504 /nfs/dbraw/zinc/77/05/04/555770504.db2.gz GHXLYITVWXRSTA-SFHVURJKSA-N 1 1 461.584 3.497 50 5 JGBAMO CC(C)[C@H](CNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000012565111 556061787 /nfs/dbraw/zinc/06/17/87/556061787.db2.gz NCQBFDWPUNRQIQ-XWEVFREBSA-N 1 1 481.663 3.136 50 5 JGBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001712 556106787 /nfs/dbraw/zinc/10/67/87/556106787.db2.gz UFBXMWZFKFEGKW-NARGUJOISA-N 1 1 480.908 3.296 50 5 JGBAMO CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1 ZINC000016956679 556187545 /nfs/dbraw/zinc/18/75/45/556187545.db2.gz UZDODSAFDFBGJD-CVDCTZTESA-N 1 1 483.912 3.425 50 5 JGBAMO CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1 ZINC000016956679 556187547 /nfs/dbraw/zinc/18/75/47/556187547.db2.gz UZDODSAFDFBGJD-CVDCTZTESA-N 1 1 483.912 3.425 50 5 JGBAMO O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017357722 556259453 /nfs/dbraw/zinc/25/94/53/556259453.db2.gz WTKFVFCARFRJFP-UHFFFAOYSA-N 1 1 481.530 3.321 50 5 JGBAMO CCN1CC[NH+](Cc2ccccc2CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC000032916250 556540180 /nfs/dbraw/zinc/54/01/80/556540180.db2.gz 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O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000020667847 195198352 /nfs/dbraw/zinc/19/83/52/195198352.db2.gz LOBXWUXBGPOVDF-UHFFFAOYSA-N 1 1 471.539 3.435 50 5 JGBAMO CC[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccccc4)[C@H](C)C3)c([N+](=O)[O-])cc2F)CC1 ZINC000016383227 521696559 /nfs/dbraw/zinc/69/65/59/521696559.db2.gz XWOVDVLONAIALL-GOSISDBHSA-N 1 1 455.534 3.227 50 5 JGBAMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000016189137 523927048 /nfs/dbraw/zinc/92/70/48/523927048.db2.gz BBRUNCKQWNVOIK-UHFFFAOYSA-N 1 1 459.934 3.089 50 5 JGBAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000008969499 554843239 /nfs/dbraw/zinc/84/32/39/554843239.db2.gz USJBZSAYAXICMV-FLFXDLLNSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000008969499 554843240 /nfs/dbraw/zinc/84/32/40/554843240.db2.gz 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Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000227022337 570039668 /nfs/dbraw/zinc/03/96/68/570039668.db2.gz HMBXWFXTMTZORJ-IPRDPGLQSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000227022337 570039670 /nfs/dbraw/zinc/03/96/70/570039670.db2.gz HMBXWFXTMTZORJ-IPRDPGLQSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245247244 570059257 /nfs/dbraw/zinc/05/92/57/570059257.db2.gz SNEZOXROAPVRQK-XMODTWTHSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245247244 570059259 /nfs/dbraw/zinc/05/92/59/570059259.db2.gz SNEZOXROAPVRQK-XMODTWTHSA-N 1 1 480.908 3.296 50 5 JGBAMO COCCN(C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000245281416 570062271 /nfs/dbraw/zinc/06/22/71/570062271.db2.gz ZASSCGVIFFJZTQ-IRLDBZIGSA-N 1 1 459.518 3.071 50 5 JGBAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000245329075 570066209 /nfs/dbraw/zinc/06/62/09/570066209.db2.gz XMUPEQLYMANZPM-MDNKFWRPSA-N 1 1 453.882 3.392 50 5 JGBAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000245329075 570066210 /nfs/dbraw/zinc/06/62/10/570066210.db2.gz XMUPEQLYMANZPM-MDNKFWRPSA-N 1 1 453.882 3.392 50 5 JGBAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000248001326 570072410 /nfs/dbraw/zinc/07/24/10/570072410.db2.gz SYYYISVJFAHUOC-AVDZWTPASA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000248001326 570072411 /nfs/dbraw/zinc/07/24/11/570072411.db2.gz SYYYISVJFAHUOC-AVDZWTPASA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000248092786 570073887 /nfs/dbraw/zinc/07/38/87/570073887.db2.gz HILNBSFOFBPYJF-LUCIHVKJSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000248092786 570073888 /nfs/dbraw/zinc/07/38/88/570073888.db2.gz HILNBSFOFBPYJF-LUCIHVKJSA-N 1 1 480.908 3.296 50 5 JGBAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248339903 570078055 /nfs/dbraw/zinc/07/80/55/570078055.db2.gz UFBXMWZFKFEGKW-OETAKHSWSA-N 1 1 480.908 3.296 50 5 JGBAMO