smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052002122 540450885 /nfs/dbraw/zinc/45/08/85/540450885.db2.gz CXXLCSDPDKJZEQ-SFHVURJKSA-N 2 2 363.458 2.285 20 5 FEBDLP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000135225173 544338362 /nfs/dbraw/zinc/33/83/62/544338362.db2.gz FBTTTWVQSIULMF-UHFFFAOYSA-N 2 2 360.458 2.160 20 5 FEBDLP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000135225173 544338363 /nfs/dbraw/zinc/33/83/63/544338363.db2.gz FBTTTWVQSIULMF-UHFFFAOYSA-N 2 2 360.458 2.160 20 5 FEBDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000153235399 544749999 /nfs/dbraw/zinc/74/99/99/544749999.db2.gz RDXLSWSGZAQYNL-YJBOKZPZSA-N 2 2 363.458 2.283 20 5 FEBDLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000153235399 544750000 /nfs/dbraw/zinc/75/00/00/544750000.db2.gz RDXLSWSGZAQYNL-YJBOKZPZSA-N 2 2 363.458 2.283 20 5 FEBDLP Cc1c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cccc1[N+](=O)[O-] ZINC000154227249 544878100 /nfs/dbraw/zinc/87/81/00/544878100.db2.gz GHMRIEPXLRXFTA-SJPCQFCGSA-N 2 2 372.469 2.286 20 5 FEBDLP Cc1c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cccc1[N+](=O)[O-] ZINC000154227249 544878101 /nfs/dbraw/zinc/87/81/01/544878101.db2.gz GHMRIEPXLRXFTA-SJPCQFCGSA-N 2 2 372.469 2.286 20 5 FEBDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173312822 327249159 /nfs/dbraw/zinc/24/91/59/327249159.db2.gz AODAEQOJWRBFPX-MRXNPFEDSA-N 2 2 370.457 2.248 20 5 FEBDLP CCOc1ccc(NC(=O)C[NH+]2CCC(CC[NH2+]C)CC2)c([N+](=O)[O-])c1 ZINC000261990827 328833977 /nfs/dbraw/zinc/83/39/77/328833977.db2.gz LTCMJBCLSPUPPI-UHFFFAOYSA-N 2 2 364.446 2.254 20 5 FEBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000367142624 330221912 /nfs/dbraw/zinc/22/19/12/330221912.db2.gz YXCFYEUTPXUPOP-HNNXBMFYSA-N 2 2 360.458 2.392 20 5 FEBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000367142624 330221913 /nfs/dbraw/zinc/22/19/13/330221913.db2.gz YXCFYEUTPXUPOP-HNNXBMFYSA-N 2 2 360.458 2.392 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440974 548922031 /nfs/dbraw/zinc/92/20/31/548922031.db2.gz VCWNVIPCCCETAP-XJKSGUPXSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440974 548922034 /nfs/dbraw/zinc/92/20/34/548922034.db2.gz VCWNVIPCCCETAP-XJKSGUPXSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440974 548922036 /nfs/dbraw/zinc/92/20/36/548922036.db2.gz VCWNVIPCCCETAP-XJKSGUPXSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440974 548922038 /nfs/dbraw/zinc/92/20/38/548922038.db2.gz VCWNVIPCCCETAP-XJKSGUPXSA-N 2 2 364.446 2.204 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000365639017 555628664 /nfs/dbraw/zinc/62/86/64/555628664.db2.gz PBDWLWOBCZDBBM-HNNXBMFYSA-N 2 2 369.425 2.097 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000365639017 555628667 /nfs/dbraw/zinc/62/86/67/555628667.db2.gz PBDWLWOBCZDBBM-HNNXBMFYSA-N 2 2 369.425 2.097 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000365648852 555631562 /nfs/dbraw/zinc/63/15/62/555631562.db2.gz LGGOYJKYNPXDEU-CYBMUJFWSA-N 2 2 373.413 2.155 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000365648852 555631564 /nfs/dbraw/zinc/63/15/64/555631564.db2.gz LGGOYJKYNPXDEU-CYBMUJFWSA-N 2 2 373.413 2.155 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794939 555668809 /nfs/dbraw/zinc/66/88/09/555668809.db2.gz LWQJQTXLYHQWLB-XJKSGUPXSA-N 2 2 364.402 2.094 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368692218 556386520 /nfs/dbraw/zinc/38/65/20/556386520.db2.gz MFQRWYVJYHXCDA-SJORKVTESA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368692218 556386521 /nfs/dbraw/zinc/38/65/21/556386521.db2.gz MFQRWYVJYHXCDA-SJORKVTESA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368692218 556386523 /nfs/dbraw/zinc/38/65/23/556386523.db2.gz MFQRWYVJYHXCDA-SJORKVTESA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368692218 556386525 /nfs/dbraw/zinc/38/65/25/556386525.db2.gz MFQRWYVJYHXCDA-SJORKVTESA-N 2 2 355.442 2.282 20 5 FEBDLP C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370147945 556794341 /nfs/dbraw/zinc/79/43/41/556794341.db2.gz HLTBPTDJCCXINX-PBHICJAKSA-N 2 2 373.457 2.194 20 5 FEBDLP C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370147945 556794345 /nfs/dbraw/zinc/79/43/45/556794345.db2.gz HLTBPTDJCCXINX-PBHICJAKSA-N 2 2 373.457 2.194 20 5 FEBDLP CC[NH+]1CCC([N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)CC1 ZINC000375004414 557962907 /nfs/dbraw/zinc/96/29/07/557962907.db2.gz JVAKOZVQPSSINN-UHFFFAOYSA-N 2 2 372.469 2.433 20 5 FEBDLP CC[NH+]1CCC([N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)CC1 ZINC000375004414 557962908 /nfs/dbraw/zinc/96/29/08/557962908.db2.gz JVAKOZVQPSSINN-UHFFFAOYSA-N 2 2 372.469 2.433 20 5 FEBDLP C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378345117 558534879 /nfs/dbraw/zinc/53/48/79/558534879.db2.gz HFZKAGMHOFHUBI-AWEZNQCLSA-N 2 2 361.446 2.227 20 5 FEBDLP C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378345117 558534880 /nfs/dbraw/zinc/53/48/80/558534880.db2.gz HFZKAGMHOFHUBI-AWEZNQCLSA-N 2 2 361.446 2.227 20 5 FEBDLP CC[NH+](CC)CC(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413124113 559080619 /nfs/dbraw/zinc/08/06/19/559080619.db2.gz NWKKNRIOADJZPN-UHFFFAOYSA-N 2 2 371.441 2.133 20 5 FEBDLP COC(=O)C[N@@H+]1CCC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413308890 559097368 /nfs/dbraw/zinc/09/73/68/559097368.db2.gz KSRLLZWWLCHQCV-ZDUSSCGKSA-N 2 2 358.398 2.440 20 5 FEBDLP COC(=O)C[N@H+]1CCC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413308890 559097369 /nfs/dbraw/zinc/09/73/69/559097369.db2.gz KSRLLZWWLCHQCV-ZDUSSCGKSA-N 2 2 358.398 2.440 20 5 FEBDLP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414831846 559190060 /nfs/dbraw/zinc/19/00/60/559190060.db2.gz QAPZDBQNDZXWAJ-LLVKDONJSA-N 2 2 359.373 2.337 20 5 FEBDLP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414940992 559196259 /nfs/dbraw/zinc/19/62/59/559196259.db2.gz CGEFOKKVGKGJSM-PWSUYJOCSA-N 2 2 359.373 2.477 20 5 FEBDLP COc1ccc(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420361152 559483033 /nfs/dbraw/zinc/48/30/33/559483033.db2.gz MTCMIXVASKEQJG-HNNXBMFYSA-N 2 2 350.419 2.039 20 5 FEBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000420624443 559494256 /nfs/dbraw/zinc/49/42/56/559494256.db2.gz JKQKZYUDMPYYKZ-UHFFFAOYSA-N 2 2 351.426 2.125 20 5 FEBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000420624443 559494257 /nfs/dbraw/zinc/49/42/57/559494257.db2.gz JKQKZYUDMPYYKZ-UHFFFAOYSA-N 2 2 351.426 2.125 20 5 FEBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000422007354 559560182 /nfs/dbraw/zinc/56/01/82/559560182.db2.gz NITXCNOKUZDVEN-UHFFFAOYSA-N 2 2 360.458 2.227 20 5 FEBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000422007354 559560183 /nfs/dbraw/zinc/56/01/83/559560183.db2.gz NITXCNOKUZDVEN-UHFFFAOYSA-N 2 2 360.458 2.227 20 5 FEBDLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430598854 559824097 /nfs/dbraw/zinc/82/40/97/559824097.db2.gz ULRNJYNUUSTNIE-AWEZNQCLSA-N 2 2 373.251 2.259 20 5 FEBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430598855 559824245 /nfs/dbraw/zinc/82/42/45/559824245.db2.gz ULRNJYNUUSTNIE-CQSZACIVSA-N 2 2 373.251 2.259 20 5 FEBDLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000450314879 560258070 /nfs/dbraw/zinc/25/80/70/560258070.db2.gz CJSVZBATSIUVPT-ZIAGYGMSSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000450314879 560258071 /nfs/dbraw/zinc/25/80/71/560258071.db2.gz CJSVZBATSIUVPT-ZIAGYGMSSA-N 2 2 357.414 2.335 20 5 FEBDLP O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cn1 ZINC000532753210 562487484 /nfs/dbraw/zinc/48/74/84/562487484.db2.gz ZRBIFIPIVLIKMM-UHFFFAOYSA-N 2 2 364.409 2.498 20 5 FEBDLP C[NH+](C)CCC[N@H+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000596425195 673384236 /nfs/dbraw/zinc/38/42/36/673384236.db2.gz PTAFQEODXOKYNQ-UHFFFAOYSA-N 2 2 360.256 2.048 20 5 FEBDLP C[NH+](C)CCC[N@@H+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000596425195 673384238 /nfs/dbraw/zinc/38/42/38/673384238.db2.gz PTAFQEODXOKYNQ-UHFFFAOYSA-N 2 2 360.256 2.048 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000080959954 542618464 /nfs/dbraw/zinc/61/84/64/542618464.db2.gz GXJXIKDLKSWWKT-GFCCVEGCSA-N 2 2 359.386 2.145 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000080959954 542618470 /nfs/dbraw/zinc/61/84/70/542618470.db2.gz GXJXIKDLKSWWKT-GFCCVEGCSA-N 2 2 359.386 2.145 20 5 FEBDLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000129745070 544125783 /nfs/dbraw/zinc/12/57/83/544125783.db2.gz OZZSLQLNRVNXMQ-KDOFPFPSSA-N 2 2 369.425 2.264 20 5 FEBDLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000129745070 544125785 /nfs/dbraw/zinc/12/57/85/544125785.db2.gz OZZSLQLNRVNXMQ-KDOFPFPSSA-N 2 2 369.425 2.264 20 5 FEBDLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153791682 326742946 /nfs/dbraw/zinc/74/29/46/326742946.db2.gz IDKXFCGGISLYRO-CYBMUJFWSA-N 2 2 354.370 2.043 20 5 FEBDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264639965 329043607 /nfs/dbraw/zinc/04/36/07/329043607.db2.gz XJTWGPXYXBVGRK-KRWDZBQOSA-N 2 2 362.474 2.076 20 5 FEBDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264639965 329043609 /nfs/dbraw/zinc/04/36/09/329043609.db2.gz XJTWGPXYXBVGRK-KRWDZBQOSA-N 2 2 362.474 2.076 20 5 FEBDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000178307640 546773401 /nfs/dbraw/zinc/77/34/01/546773401.db2.gz GJSCUXJNEYMIQI-HZPDHXFCSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000178307640 546773405 /nfs/dbraw/zinc/77/34/05/546773405.db2.gz GJSCUXJNEYMIQI-HZPDHXFCSA-N 2 2 369.425 2.337 20 5 FEBDLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498549147 561527835 /nfs/dbraw/zinc/52/78/35/561527835.db2.gz GBTLKMFDFCJUQP-ZIAGYGMSSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498549147 561527836 /nfs/dbraw/zinc/52/78/36/561527836.db2.gz GBTLKMFDFCJUQP-ZIAGYGMSSA-N 2 2 357.414 2.335 20 5 FEBDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298981864 553498827 /nfs/dbraw/zinc/49/88/27/553498827.db2.gz HLXYHVPFYFBCHK-HUUCEWRRSA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298981864 553498829 /nfs/dbraw/zinc/49/88/29/553498829.db2.gz HLXYHVPFYFBCHK-HUUCEWRRSA-N 2 2 355.398 2.137 20 5 FEBDLP O=C1[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365738283 555655592 /nfs/dbraw/zinc/65/55/92/555655592.db2.gz SFKKLLADTGCDIY-MSOLQXFVSA-N 2 2 368.393 2.248 20 5 FEBDLP O=C1[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365738283 555655597 /nfs/dbraw/zinc/65/55/97/555655597.db2.gz SFKKLLADTGCDIY-MSOLQXFVSA-N 2 2 368.393 2.248 20 5 FEBDLP O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000369019198 556478088 /nfs/dbraw/zinc/47/80/88/556478088.db2.gz WWDIHFKPNJTZMM-OAHLLOKOSA-N 2 2 353.386 2.209 20 5 FEBDLP O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000369019198 556478089 /nfs/dbraw/zinc/47/80/89/556478089.db2.gz WWDIHFKPNJTZMM-OAHLLOKOSA-N 2 2 353.386 2.209 20 5 FEBDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC000420983368 559517271 /nfs/dbraw/zinc/51/72/71/559517271.db2.gz QWFZBSCPLODMCD-UHFFFAOYSA-N 2 2 362.474 2.292 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371827 559921621 /nfs/dbraw/zinc/92/16/21/559921621.db2.gz OYZQDGRCPYMEHW-PWSUYJOCSA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371827 559921622 /nfs/dbraw/zinc/92/16/22/559921622.db2.gz OYZQDGRCPYMEHW-PWSUYJOCSA-N 2 2 359.373 2.416 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447812089 560169762 /nfs/dbraw/zinc/16/97/62/560169762.db2.gz JPBWYQANMXKHRP-INIZCTEOSA-N 2 2 371.441 2.154 20 5 FEBDLP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448712261 560195893 /nfs/dbraw/zinc/19/58/93/560195893.db2.gz XXMCYFAZLYYTRT-CQSZACIVSA-N 2 2 357.414 2.385 20 5 FEBDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783620324 682159761 /nfs/dbraw/zinc/15/97/61/682159761.db2.gz LOCBTLMBQUARHD-UHFFFAOYSA-N 2 2 368.865 2.281 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124315671 543813566 /nfs/dbraw/zinc/81/35/66/543813566.db2.gz OMTZUVWARIJSHX-CYBMUJFWSA-N 2 2 361.402 2.149 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124315671 543813569 /nfs/dbraw/zinc/81/35/69/543813569.db2.gz OMTZUVWARIJSHX-CYBMUJFWSA-N 2 2 361.402 2.149 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000152505165 544662842 /nfs/dbraw/zinc/66/28/42/544662842.db2.gz MFQKPKORXFXCLV-UONOGXRCSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000152505165 544662847 /nfs/dbraw/zinc/66/28/47/544662847.db2.gz MFQKPKORXFXCLV-UONOGXRCSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152505165 544662850 /nfs/dbraw/zinc/66/28/50/544662850.db2.gz MFQKPKORXFXCLV-UONOGXRCSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152505165 544662854 /nfs/dbraw/zinc/66/28/54/544662854.db2.gz MFQKPKORXFXCLV-UONOGXRCSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000152505263 544663138 /nfs/dbraw/zinc/66/31/38/544663138.db2.gz MFQKPKORXFXCLV-ZIAGYGMSSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000152505263 544663140 /nfs/dbraw/zinc/66/31/40/544663140.db2.gz MFQKPKORXFXCLV-ZIAGYGMSSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152505263 544663145 /nfs/dbraw/zinc/66/31/45/544663145.db2.gz MFQKPKORXFXCLV-ZIAGYGMSSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152505263 544663148 /nfs/dbraw/zinc/66/31/48/544663148.db2.gz MFQKPKORXFXCLV-ZIAGYGMSSA-N 2 2 364.446 2.204 20 5 FEBDLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000154277496 544884011 /nfs/dbraw/zinc/88/40/11/544884011.db2.gz OBFSBJFWKUHFAU-JWTNVVGKSA-N 2 2 372.469 2.286 20 5 FEBDLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000154277496 544884015 /nfs/dbraw/zinc/88/40/15/544884015.db2.gz OBFSBJFWKUHFAU-JWTNVVGKSA-N 2 2 372.469 2.286 20 5 FEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156342639 545618837 /nfs/dbraw/zinc/61/88/37/545618837.db2.gz IPGNMBRKWRFHKL-DYVFJYSZSA-N 2 2 356.382 2.470 20 5 FEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156342639 545618839 /nfs/dbraw/zinc/61/88/39/545618839.db2.gz IPGNMBRKWRFHKL-DYVFJYSZSA-N 2 2 356.382 2.470 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156559504 545635916 /nfs/dbraw/zinc/63/59/16/545635916.db2.gz JBMPRKIIJIYACB-CJNGLKHVSA-N 2 2 373.413 2.322 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156559504 545635919 /nfs/dbraw/zinc/63/59/19/545635919.db2.gz JBMPRKIIJIYACB-CJNGLKHVSA-N 2 2 373.413 2.322 20 5 FEBDLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000178307653 546773144 /nfs/dbraw/zinc/77/31/44/546773144.db2.gz GJSCUXJNEYMIQI-CVEARBPZSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000178307653 546773148 /nfs/dbraw/zinc/77/31/48/546773148.db2.gz GJSCUXJNEYMIQI-CVEARBPZSA-N 2 2 369.425 2.337 20 5 FEBDLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184567627 547847254 /nfs/dbraw/zinc/84/72/54/547847254.db2.gz HVOJZKAGMKFTOM-IBGZPJMESA-N 2 2 370.453 2.446 20 5 FEBDLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184567627 547847257 /nfs/dbraw/zinc/84/72/57/547847257.db2.gz HVOJZKAGMKFTOM-IBGZPJMESA-N 2 2 370.453 2.446 20 5 FEBDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC000489251515 561406662 /nfs/dbraw/zinc/40/66/62/561406662.db2.gz UABWSTMPGNXALO-UHFFFAOYSA-N 2 2 358.398 2.329 20 5 FEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261869863 549764216 /nfs/dbraw/zinc/76/42/16/549764216.db2.gz ZOWPJBITQNMCOM-HWKANZROSA-N 2 2 368.441 2.182 20 5 FEBDLP COc1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000271622860 550390696 /nfs/dbraw/zinc/39/06/96/550390696.db2.gz FKLKHTZMQXVULS-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP COc1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000271622860 550390699 /nfs/dbraw/zinc/39/06/99/550390699.db2.gz FKLKHTZMQXVULS-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP Cc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000281016822 551055241 /nfs/dbraw/zinc/05/52/41/551055241.db2.gz RQRMCQLTNBNZHZ-UHFFFAOYSA-N 2 2 365.397 2.410 20 5 FEBDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285840771 551817566 /nfs/dbraw/zinc/81/75/66/551817566.db2.gz YJQRZWQMDUMFTC-HZTRTUMWSA-N 2 2 360.458 2.329 20 5 FEBDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285840771 551817567 /nfs/dbraw/zinc/81/75/67/551817567.db2.gz YJQRZWQMDUMFTC-HZTRTUMWSA-N 2 2 360.458 2.329 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365621445 555624680 /nfs/dbraw/zinc/62/46/80/555624680.db2.gz DPZOFCSTPCOTDT-ZDUSSCGKSA-N 2 2 373.413 2.155 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365621445 555624682 /nfs/dbraw/zinc/62/46/82/555624682.db2.gz DPZOFCSTPCOTDT-ZDUSSCGKSA-N 2 2 373.413 2.155 20 5 FEBDLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000365736271 555654919 /nfs/dbraw/zinc/65/49/19/555654919.db2.gz NOFCPDIUXAWAII-QGZVFWFLSA-N 2 2 368.393 2.032 20 5 FEBDLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000365736271 555654921 /nfs/dbraw/zinc/65/49/21/555654921.db2.gz NOFCPDIUXAWAII-QGZVFWFLSA-N 2 2 368.393 2.032 20 5 FEBDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000513420503 561937549 /nfs/dbraw/zinc/93/75/49/561937549.db2.gz OSVZPRLGZNRYND-UHFFFAOYSA-N 2 2 358.398 2.329 20 5 FEBDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721390 556677969 /nfs/dbraw/zinc/67/79/69/556677969.db2.gz DQPXCONIIGYFBU-FVQBIDKESA-N 2 2 373.457 2.450 20 5 FEBDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721390 556677972 /nfs/dbraw/zinc/67/79/72/556677972.db2.gz DQPXCONIIGYFBU-FVQBIDKESA-N 2 2 373.457 2.450 20 5 FEBDLP CCn1cc[nH+]c1CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC12CC[NH2+]CC2 ZINC000370157818 556796916 /nfs/dbraw/zinc/79/69/16/556796916.db2.gz ANAQYADLBSVTDJ-AWEZNQCLSA-N 2 2 373.413 2.189 20 5 FEBDLP Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000370819169 556978769 /nfs/dbraw/zinc/97/87/69/556978769.db2.gz JHCARHHVTLFGRP-MRXNPFEDSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000370819169 556978770 /nfs/dbraw/zinc/97/87/70/556978770.db2.gz JHCARHHVTLFGRP-MRXNPFEDSA-N 2 2 360.458 2.144 20 5 FEBDLP CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370820513 556979240 /nfs/dbraw/zinc/97/92/40/556979240.db2.gz PKOIUHISEQSJSK-LKGOPFMKSA-N 2 2 372.469 2.235 20 5 FEBDLP CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370820513 556979242 /nfs/dbraw/zinc/97/92/42/556979242.db2.gz PKOIUHISEQSJSK-LKGOPFMKSA-N 2 2 372.469 2.235 20 5 FEBDLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047415 557365658 /nfs/dbraw/zinc/36/56/58/557365658.db2.gz QNIPERXCKYSECA-PKOBYXMFSA-N 2 2 362.474 2.042 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000374783052 557930734 /nfs/dbraw/zinc/93/07/34/557930734.db2.gz VPKFJOULUQOLHV-MRXNPFEDSA-N 2 2 350.438 2.334 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000374783052 557930736 /nfs/dbraw/zinc/93/07/36/557930736.db2.gz VPKFJOULUQOLHV-MRXNPFEDSA-N 2 2 350.438 2.334 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378369644 558542005 /nfs/dbraw/zinc/54/20/05/558542005.db2.gz YWKGERUABXYNNR-OAHLLOKOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378369644 558542008 /nfs/dbraw/zinc/54/20/08/558542008.db2.gz YWKGERUABXYNNR-OAHLLOKOSA-N 2 2 360.458 2.144 20 5 FEBDLP COc1ccc(-c2ccc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415103417 559205263 /nfs/dbraw/zinc/20/52/63/559205263.db2.gz FOBGLRAHPZFMLF-HNNXBMFYSA-N 2 2 361.398 2.413 20 5 FEBDLP COc1ccc(-c2ccc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415103417 559205264 /nfs/dbraw/zinc/20/52/64/559205264.db2.gz FOBGLRAHPZFMLF-HNNXBMFYSA-N 2 2 361.398 2.413 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430591780 559823875 /nfs/dbraw/zinc/82/38/75/559823875.db2.gz FWWGXYBOEKUJCJ-TZMCWYRMSA-N 2 2 352.435 2.236 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430591780 559823876 /nfs/dbraw/zinc/82/38/76/559823876.db2.gz FWWGXYBOEKUJCJ-TZMCWYRMSA-N 2 2 352.435 2.236 20 5 FEBDLP CC[NH+](CC)CC[C@@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439114246 559988738 /nfs/dbraw/zinc/98/87/38/559988738.db2.gz BGSCIDFROKODCY-INIZCTEOSA-N 2 2 373.457 2.287 20 5 FEBDLP CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448594024 560191736 /nfs/dbraw/zinc/19/17/36/560191736.db2.gz IGVWUXGFEWNSOS-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449884292 560244103 /nfs/dbraw/zinc/24/41/03/560244103.db2.gz OOZSODLSBWXBMG-GDBMZVCRSA-N 2 2 369.425 2.479 20 5 FEBDLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449884292 560244104 /nfs/dbraw/zinc/24/41/04/560244104.db2.gz OOZSODLSBWXBMG-GDBMZVCRSA-N 2 2 369.425 2.479 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000450061999 560249507 /nfs/dbraw/zinc/24/95/07/560249507.db2.gz ZRTARFFRRNSDRN-OAHLLOKOSA-N 2 2 366.381 2.282 20 5 FEBDLP CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451637758 560318453 /nfs/dbraw/zinc/31/84/53/560318453.db2.gz YKBSXANZYMQYJZ-UHFFFAOYSA-N 2 2 357.414 2.338 20 5 FEBDLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000532922021 562492526 /nfs/dbraw/zinc/49/25/26/562492526.db2.gz FAELLDGWCUPTSL-UHFFFAOYSA-N 2 2 354.838 2.460 20 5 FEBDLP O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)NCC[NH+]1CCCCCC1 ZINC000816620478 675068961 /nfs/dbraw/zinc/06/89/61/675068961.db2.gz XFUGSGFOBPIAOI-UHFFFAOYSA-N 2 2 368.865 2.330 20 5 FEBDLP C[NH+](C)CC1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000931481248 684289985 /nfs/dbraw/zinc/28/99/85/684289985.db2.gz ODTYSSJVFSZQJQ-UHFFFAOYSA-N 2 2 372.263 2.246 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000051236051 540427974 /nfs/dbraw/zinc/42/79/74/540427974.db2.gz YGNBWQGXWPCBFH-UHFFFAOYSA-N 2 2 361.446 2.275 20 5 FEBDLP O=C(NCCNc1cccc[nH+]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000063707568 541179862 /nfs/dbraw/zinc/17/98/62/541179862.db2.gz YUSVUONTKVIFSB-UHFFFAOYSA-N 2 2 352.354 2.017 20 5 FEBDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751215 543336245 /nfs/dbraw/zinc/33/62/45/543336245.db2.gz UONASYNDYQMCIK-GOSISDBHSA-N 2 2 362.474 2.076 20 5 FEBDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751215 543336250 /nfs/dbraw/zinc/33/62/50/543336250.db2.gz UONASYNDYQMCIK-GOSISDBHSA-N 2 2 362.474 2.076 20 5 FEBDLP CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000192546232 328324906 /nfs/dbraw/zinc/32/49/06/328324906.db2.gz WEORJMZXGYLXBW-UHFFFAOYSA-N 2 2 350.467 2.090 20 5 FEBDLP CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084933 330174108 /nfs/dbraw/zinc/17/41/08/330174108.db2.gz MZBZAFNRAHZZEG-IAGOWNOFSA-N 2 2 360.458 2.247 20 5 FEBDLP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084933 330174109 /nfs/dbraw/zinc/17/41/09/330174109.db2.gz MZBZAFNRAHZZEG-IAGOWNOFSA-N 2 2 360.458 2.247 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000155671156 545556456 /nfs/dbraw/zinc/55/64/56/545556456.db2.gz FRMQGGHWGLYKGV-HNNXBMFYSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000155671156 545556458 /nfs/dbraw/zinc/55/64/58/545556458.db2.gz FRMQGGHWGLYKGV-HNNXBMFYSA-N 2 2 352.866 2.460 20 5 FEBDLP C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000182218277 547455902 /nfs/dbraw/zinc/45/59/02/547455902.db2.gz JUQJNNLSBQFNIE-ZOBUZTSGSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000182218277 547455906 /nfs/dbraw/zinc/45/59/06/547455906.db2.gz JUQJNNLSBQFNIE-ZOBUZTSGSA-N 2 2 360.414 2.114 20 5 FEBDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182746229 547545282 /nfs/dbraw/zinc/54/52/82/547545282.db2.gz XDYUUJRITHKEBE-MRXNPFEDSA-N 2 2 362.474 2.450 20 5 FEBDLP Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489943212 561422871 /nfs/dbraw/zinc/42/28/71/561422871.db2.gz ZUACMPSRLVFUIZ-AWEZNQCLSA-N 2 2 350.382 2.406 20 5 FEBDLP C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000261703920 549744922 /nfs/dbraw/zinc/74/49/22/549744922.db2.gz CWRIFHOGROPSAK-CYBMUJFWSA-N 2 2 374.466 2.315 20 5 FEBDLP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000277381974 550663761 /nfs/dbraw/zinc/66/37/61/550663761.db2.gz WNQCOYVOWRYMDW-OAHLLOKOSA-N 2 2 357.414 2.337 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000284115490 551486478 /nfs/dbraw/zinc/48/64/78/551486478.db2.gz OZIRASQLVMOERT-CYBMUJFWSA-N 2 2 354.401 2.085 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000284115490 551486480 /nfs/dbraw/zinc/48/64/80/551486480.db2.gz OZIRASQLVMOERT-CYBMUJFWSA-N 2 2 354.401 2.085 20 5 FEBDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000284939190 551671961 /nfs/dbraw/zinc/67/19/61/551671961.db2.gz BBXFCQGJWCBFLA-ZVRJUHEZSA-N 2 2 360.458 2.329 20 5 FEBDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000284939190 551671964 /nfs/dbraw/zinc/67/19/64/551671964.db2.gz BBXFCQGJWCBFLA-ZVRJUHEZSA-N 2 2 360.458 2.329 20 5 FEBDLP C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000290532948 552493947 /nfs/dbraw/zinc/49/39/47/552493947.db2.gz OIXKSBHHHQROQP-KGLIPLIRSA-N 2 2 370.417 2.384 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000366621971 555893106 /nfs/dbraw/zinc/89/31/06/555893106.db2.gz HRGHARDEODPOGW-JJTKIYQPSA-N 2 2 374.485 2.346 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000366621971 555893108 /nfs/dbraw/zinc/89/31/08/555893108.db2.gz HRGHARDEODPOGW-JJTKIYQPSA-N 2 2 374.485 2.346 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369272321 556558614 /nfs/dbraw/zinc/55/86/14/556558614.db2.gz AYYJQNAGCQYMQM-LBPRGKRZSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369272321 556558615 /nfs/dbraw/zinc/55/86/15/556558615.db2.gz AYYJQNAGCQYMQM-LBPRGKRZSA-N 2 2 366.849 2.147 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2C[C@H](C3CC3)[N@H+](Cc3ccccc3)C2)c1 ZINC000377411493 558335634 /nfs/dbraw/zinc/33/56/34/558335634.db2.gz LNFKTIQLXISASP-IEBWSBKVSA-N 2 2 355.442 2.434 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2C[C@H](C3CC3)[N@@H+](Cc3ccccc3)C2)c1 ZINC000377411493 558335638 /nfs/dbraw/zinc/33/56/38/558335638.db2.gz LNFKTIQLXISASP-IEBWSBKVSA-N 2 2 355.442 2.434 20 5 FEBDLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420277121 559478385 /nfs/dbraw/zinc/47/83/85/559478385.db2.gz IFUWCTGEVDLCHD-JOUKPKRSSA-N 2 2 360.458 2.355 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422632227 559598896 /nfs/dbraw/zinc/59/88/96/559598896.db2.gz GLLRUQBFTNAFBP-IHRRRGAJSA-N 2 2 364.446 2.237 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422632227 559598897 /nfs/dbraw/zinc/59/88/97/559598897.db2.gz GLLRUQBFTNAFBP-IHRRRGAJSA-N 2 2 364.446 2.237 20 5 FEBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430554343 559822436 /nfs/dbraw/zinc/82/24/36/559822436.db2.gz GBVJWEMIJQOCJU-UHFFFAOYSA-N 2 2 374.441 2.357 20 5 FEBDLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449884293 560244087 /nfs/dbraw/zinc/24/40/87/560244087.db2.gz OOZSODLSBWXBMG-GOEBONIOSA-N 2 2 369.425 2.479 20 5 FEBDLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449884293 560244088 /nfs/dbraw/zinc/24/40/88/560244088.db2.gz OOZSODLSBWXBMG-GOEBONIOSA-N 2 2 369.425 2.479 20 5 FEBDLP CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451003289 560281811 /nfs/dbraw/zinc/28/18/11/560281811.db2.gz DVLGESVHVJQNFX-UHFFFAOYSA-N 2 2 357.414 2.337 20 5 FEBDLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451763678 560327316 /nfs/dbraw/zinc/32/73/16/560327316.db2.gz SXJGBOZAYJOHDX-GOEBONIOSA-N 2 2 369.425 2.479 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000531706322 562454364 /nfs/dbraw/zinc/45/43/64/562454364.db2.gz CRQJVCPWESKOQQ-YJBOKZPZSA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000531706322 562454365 /nfs/dbraw/zinc/45/43/65/562454365.db2.gz CRQJVCPWESKOQQ-YJBOKZPZSA-N 2 2 362.474 2.497 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000595340354 673227879 /nfs/dbraw/zinc/22/78/79/673227879.db2.gz RWXANEWXSAPIAI-KRWDZBQOSA-N 2 2 350.438 2.334 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000595340354 673227886 /nfs/dbraw/zinc/22/78/86/673227886.db2.gz RWXANEWXSAPIAI-KRWDZBQOSA-N 2 2 350.438 2.334 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000050797345 540414395 /nfs/dbraw/zinc/41/43/95/540414395.db2.gz OGYWHZLPGIJYJZ-UHFFFAOYSA-N 2 2 364.421 2.022 20 5 FEBDLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000055538181 540657347 /nfs/dbraw/zinc/65/73/47/540657347.db2.gz GKYKOIVJKUYDGT-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ncc([N+](=O)[O-])c(N)n3)cc2)CC1 ZINC000077992363 542436737 /nfs/dbraw/zinc/43/67/37/542436737.db2.gz DQNHJUQJZHASLF-UHFFFAOYSA-N 2 2 371.445 2.489 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794946 543338996 /nfs/dbraw/zinc/33/89/96/543338996.db2.gz AODWWJZUZIKRNX-UHFFFAOYSA-N 2 2 359.386 2.076 20 5 FEBDLP C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000129424781 544111437 /nfs/dbraw/zinc/11/14/37/544111437.db2.gz PTDMCJOSZCHPPT-KSSFIOAISA-N 2 2 369.425 2.264 20 5 FEBDLP C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000129424781 544111441 /nfs/dbraw/zinc/11/14/41/544111441.db2.gz PTDMCJOSZCHPPT-KSSFIOAISA-N 2 2 369.425 2.264 20 5 FEBDLP CN(C(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154011463 544852534 /nfs/dbraw/zinc/85/25/34/544852534.db2.gz YSBUSVYCQXUDMC-KRWDZBQOSA-N 2 2 356.382 2.106 20 5 FEBDLP CN(C(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154011463 544852537 /nfs/dbraw/zinc/85/25/37/544852537.db2.gz YSBUSVYCQXUDMC-KRWDZBQOSA-N 2 2 356.382 2.106 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096327 325159335 /nfs/dbraw/zinc/15/93/35/325159335.db2.gz UWFYOGDQETUCJM-CZUORRHYSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096327 325159338 /nfs/dbraw/zinc/15/93/38/325159338.db2.gz UWFYOGDQETUCJM-CZUORRHYSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096327 325159342 /nfs/dbraw/zinc/15/93/42/325159342.db2.gz UWFYOGDQETUCJM-CZUORRHYSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096327 325159346 /nfs/dbraw/zinc/15/93/46/325159346.db2.gz UWFYOGDQETUCJM-CZUORRHYSA-N 2 2 364.446 2.204 20 5 FEBDLP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000120340631 326251019 /nfs/dbraw/zinc/25/10/19/326251019.db2.gz YQDMFWYXZYVVFB-HNNXBMFYSA-N 2 2 373.457 2.053 20 5 FEBDLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173046850 327232273 /nfs/dbraw/zinc/23/22/73/327232273.db2.gz PCFONOWVXZAHQT-CYBMUJFWSA-N 2 2 359.430 2.487 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264545497 329034302 /nfs/dbraw/zinc/03/43/02/329034302.db2.gz BMFJOJWUHQGTGF-INIZCTEOSA-N 2 2 369.425 2.481 20 5 FEBDLP COc1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000265457500 329129030 /nfs/dbraw/zinc/12/90/30/329129030.db2.gz DOOQNMOOIAUGQY-UHFFFAOYSA-N 2 2 359.386 2.145 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000267011338 329282913 /nfs/dbraw/zinc/28/29/13/329282913.db2.gz HLPRNRVSICADKX-INIZCTEOSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000267011338 329282915 /nfs/dbraw/zinc/28/29/15/329282915.db2.gz HLPRNRVSICADKX-INIZCTEOSA-N 2 2 352.866 2.460 20 5 FEBDLP CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084931 330173996 /nfs/dbraw/zinc/17/39/96/330173996.db2.gz MZBZAFNRAHZZEG-DLBZAZTESA-N 2 2 360.458 2.247 20 5 FEBDLP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084931 330173998 /nfs/dbraw/zinc/17/39/98/330173998.db2.gz MZBZAFNRAHZZEG-DLBZAZTESA-N 2 2 360.458 2.247 20 5 FEBDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000482894599 561262531 /nfs/dbraw/zinc/26/25/31/561262531.db2.gz CSPIHBJTSMXDKK-OAHLLOKOSA-N 2 2 362.474 2.497 20 5 FEBDLP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000489098632 561403207 /nfs/dbraw/zinc/40/32/07/561403207.db2.gz OIRQDEMFIMQROK-QGZVFWFLSA-N 2 2 362.474 2.205 20 5 FEBDLP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000489098632 561403208 /nfs/dbraw/zinc/40/32/08/561403208.db2.gz OIRQDEMFIMQROK-QGZVFWFLSA-N 2 2 362.474 2.205 20 5 FEBDLP Cn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494445937 561469802 /nfs/dbraw/zinc/46/98/02/561469802.db2.gz SQVZYRPXCZASBC-OAHLLOKOSA-N 2 2 352.398 2.296 20 5 FEBDLP CCc1cc(NCCOCC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000498908657 561537537 /nfs/dbraw/zinc/53/75/37/561537537.db2.gz CQHOKIYMIQHUIL-UHFFFAOYSA-N 2 2 359.430 2.026 20 5 FEBDLP COCC[NH+](CCOC)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285602626 551781166 /nfs/dbraw/zinc/78/11/66/551781166.db2.gz WSPGRCHEPRQTAB-UHFFFAOYSA-N 2 2 365.474 2.197 20 5 FEBDLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332371395 554433825 /nfs/dbraw/zinc/43/38/25/554433825.db2.gz BCOXEHUYUOMCPD-WBVHZDCISA-N 2 2 362.474 2.061 20 5 FEBDLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332371395 554433827 /nfs/dbraw/zinc/43/38/27/554433827.db2.gz BCOXEHUYUOMCPD-WBVHZDCISA-N 2 2 362.474 2.061 20 5 FEBDLP CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000360973664 554898387 /nfs/dbraw/zinc/89/83/87/554898387.db2.gz VMOGFADGAOVXNT-ZDUSSCGKSA-N 2 2 353.854 2.248 20 5 FEBDLP CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000360973664 554898388 /nfs/dbraw/zinc/89/83/88/554898388.db2.gz VMOGFADGAOVXNT-ZDUSSCGKSA-N 2 2 353.854 2.248 20 5 FEBDLP O=C1[C@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365738284 555655534 /nfs/dbraw/zinc/65/55/34/555655534.db2.gz SFKKLLADTGCDIY-QZTJIDSGSA-N 2 2 368.393 2.248 20 5 FEBDLP O=C1[C@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365738284 555655537 /nfs/dbraw/zinc/65/55/37/555655537.db2.gz SFKKLLADTGCDIY-QZTJIDSGSA-N 2 2 368.393 2.248 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000368951769 556457794 /nfs/dbraw/zinc/45/77/94/556457794.db2.gz RUOIWAPDCVRHTF-HNNXBMFYSA-N 2 2 355.442 2.723 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000368951769 556457795 /nfs/dbraw/zinc/45/77/95/556457795.db2.gz RUOIWAPDCVRHTF-HNNXBMFYSA-N 2 2 355.442 2.723 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@H](C)C2)s1 ZINC000368963715 556460977 /nfs/dbraw/zinc/46/09/77/556460977.db2.gz CDXMSCGNDYTNDF-WBMJQRKESA-N 2 2 364.475 2.056 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@H](C)C2)s1 ZINC000368963715 556460979 /nfs/dbraw/zinc/46/09/79/556460979.db2.gz CDXMSCGNDYTNDF-WBMJQRKESA-N 2 2 364.475 2.056 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000517391325 562088362 /nfs/dbraw/zinc/08/83/62/562088362.db2.gz QCRGMUDCBNSHRD-UHFFFAOYSA-N 2 2 362.430 2.135 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000517391325 562088363 /nfs/dbraw/zinc/08/83/63/562088363.db2.gz QCRGMUDCBNSHRD-UHFFFAOYSA-N 2 2 362.430 2.135 20 5 FEBDLP C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371821683 557303034 /nfs/dbraw/zinc/30/30/34/557303034.db2.gz BYQPISPVUSMVKA-VOGRQWBCSA-N 2 2 372.469 2.283 20 5 FEBDLP C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371821683 557303037 /nfs/dbraw/zinc/30/30/37/557303037.db2.gz BYQPISPVUSMVKA-VOGRQWBCSA-N 2 2 372.469 2.283 20 5 FEBDLP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414940993 559196089 /nfs/dbraw/zinc/19/60/89/559196089.db2.gz CGEFOKKVGKGJSM-ZYHUDNBSSA-N 2 2 359.373 2.477 20 5 FEBDLP COc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000420331374 559480960 /nfs/dbraw/zinc/48/09/60/559480960.db2.gz BVFJTOPKTVCNPK-HNNXBMFYSA-N 2 2 362.430 2.006 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399777 559485472 /nfs/dbraw/zinc/48/54/72/559485472.db2.gz OHVTXAPJFIMBEJ-XJKSGUPXSA-N 2 2 362.430 2.006 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399777 559485473 /nfs/dbraw/zinc/48/54/73/559485473.db2.gz OHVTXAPJFIMBEJ-XJKSGUPXSA-N 2 2 362.430 2.006 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422632228 559598995 /nfs/dbraw/zinc/59/89/95/559598995.db2.gz GLLRUQBFTNAFBP-MCIONIFRSA-N 2 2 364.446 2.237 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422632228 559598996 /nfs/dbraw/zinc/59/89/96/559598996.db2.gz GLLRUQBFTNAFBP-MCIONIFRSA-N 2 2 364.446 2.237 20 5 FEBDLP C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424050041 559652633 /nfs/dbraw/zinc/65/26/33/559652633.db2.gz AULIIZAJEHJGTO-NFAWXSAZSA-N 2 2 357.414 2.226 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371826 559921703 /nfs/dbraw/zinc/92/17/03/559921703.db2.gz OYZQDGRCPYMEHW-JQWIXIFHSA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371826 559921704 /nfs/dbraw/zinc/92/17/04/559921704.db2.gz OYZQDGRCPYMEHW-JQWIXIFHSA-N 2 2 359.373 2.416 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000442773687 560057191 /nfs/dbraw/zinc/05/71/91/560057191.db2.gz XVWSXVFHFHZLRW-PBWFPOADSA-N 2 2 362.430 2.147 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000442773687 560057192 /nfs/dbraw/zinc/05/71/92/560057192.db2.gz XVWSXVFHFHZLRW-PBWFPOADSA-N 2 2 362.430 2.147 20 5 FEBDLP C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450547766 560265721 /nfs/dbraw/zinc/26/57/21/560265721.db2.gz PCIXQFSVWBHKIB-MRXNPFEDSA-N 2 2 374.485 2.348 20 5 FEBDLP C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000450547766 560265722 /nfs/dbraw/zinc/26/57/22/560265722.db2.gz PCIXQFSVWBHKIB-MRXNPFEDSA-N 2 2 374.485 2.348 20 5 FEBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548014 560313908 /nfs/dbraw/zinc/31/39/08/560313908.db2.gz LYOSBYOHTZSULR-AEFFLSMTSA-N 2 2 374.485 2.327 20 5 FEBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548014 560313909 /nfs/dbraw/zinc/31/39/09/560313909.db2.gz LYOSBYOHTZSULR-AEFFLSMTSA-N 2 2 374.485 2.327 20 5 FEBDLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456360502 560517214 /nfs/dbraw/zinc/51/72/14/560517214.db2.gz VJGDWZUURKNLAG-OAHLLOKOSA-N 2 2 357.414 2.337 20 5 FEBDLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456360502 560517215 /nfs/dbraw/zinc/51/72/15/560517215.db2.gz VJGDWZUURKNLAG-OAHLLOKOSA-N 2 2 357.414 2.337 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865471 562520091 /nfs/dbraw/zinc/52/00/91/562520091.db2.gz OBLQZOKKWOLNNM-CQSZACIVSA-N 2 2 357.414 2.455 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865471 562520092 /nfs/dbraw/zinc/52/00/92/562520092.db2.gz OBLQZOKKWOLNNM-CQSZACIVSA-N 2 2 357.414 2.455 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535315582 562555792 /nfs/dbraw/zinc/55/57/92/562555792.db2.gz YGVUHRHGQJVTEY-ZDUSSCGKSA-N 2 2 354.370 2.368 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535315582 562555793 /nfs/dbraw/zinc/55/57/93/562555793.db2.gz YGVUHRHGQJVTEY-ZDUSSCGKSA-N 2 2 354.370 2.368 20 5 FEBDLP C[N@H+](CCCn1cc[nH+]c1)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000537043002 562584584 /nfs/dbraw/zinc/58/45/84/562584584.db2.gz PCJVHNWCWFKOPL-UHFFFAOYSA-N 2 2 359.386 2.111 20 5 FEBDLP C[N@@H+](CCCn1cc[nH+]c1)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000537043002 562584585 /nfs/dbraw/zinc/58/45/85/562584585.db2.gz PCJVHNWCWFKOPL-UHFFFAOYSA-N 2 2 359.386 2.111 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000592477609 672807301 /nfs/dbraw/zinc/80/73/01/672807301.db2.gz DROKDYZPHOZERE-UHFFFAOYSA-N 2 2 366.487 2.194 20 5 FEBDLP C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000047147712 540292818 /nfs/dbraw/zinc/29/28/18/540292818.db2.gz CZWDWTZSRFOLML-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000047147712 540292821 /nfs/dbraw/zinc/29/28/21/540292821.db2.gz CZWDWTZSRFOLML-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857315 541717806 /nfs/dbraw/zinc/71/78/06/541717806.db2.gz FEDWIOQBJVXXNR-KRWDZBQOSA-N 2 2 363.458 2.408 20 5 FEBDLP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857315 541717811 /nfs/dbraw/zinc/71/78/11/541717811.db2.gz FEDWIOQBJVXXNR-KRWDZBQOSA-N 2 2 363.458 2.408 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000126146203 543921346 /nfs/dbraw/zinc/92/13/46/543921346.db2.gz HOIKWYUNFHODFA-UHFFFAOYSA-N 2 2 368.865 2.346 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000126146203 543921349 /nfs/dbraw/zinc/92/13/49/543921349.db2.gz HOIKWYUNFHODFA-UHFFFAOYSA-N 2 2 368.865 2.346 20 5 FEBDLP CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171562514 327145698 /nfs/dbraw/zinc/14/56/98/327145698.db2.gz NCPXUKUTPSQPOT-UHFFFAOYSA-N 2 2 357.414 2.194 20 5 FEBDLP CCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)ccc1[N+](=O)[O-] ZINC000365174950 555502617 /nfs/dbraw/zinc/50/26/17/555502617.db2.gz FHKVRZLZRQDCTP-QGZVFWFLSA-N 2 2 362.474 2.205 20 5 FEBDLP CCOc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)ccc1[N+](=O)[O-] ZINC000365174950 555502620 /nfs/dbraw/zinc/50/26/20/555502620.db2.gz FHKVRZLZRQDCTP-QGZVFWFLSA-N 2 2 362.474 2.205 20 5 FEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365674665 555637430 /nfs/dbraw/zinc/63/74/30/555637430.db2.gz IPGNMBRKWRFHKL-CXAGYDPISA-N 2 2 356.382 2.470 20 5 FEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365674665 555637433 /nfs/dbraw/zinc/63/74/33/555637433.db2.gz IPGNMBRKWRFHKL-CXAGYDPISA-N 2 2 356.382 2.470 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794935 555668581 /nfs/dbraw/zinc/66/85/81/555668581.db2.gz LWQJQTXLYHQWLB-CJNGLKHVSA-N 2 2 364.402 2.094 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378369087 558540883 /nfs/dbraw/zinc/54/08/83/558540883.db2.gz IXEPTCWIGNQHKK-HNNXBMFYSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378369087 558540884 /nfs/dbraw/zinc/54/08/84/558540884.db2.gz IXEPTCWIGNQHKK-HNNXBMFYSA-N 2 2 360.458 2.144 20 5 FEBDLP COC(=O)C1CC[NH+](CCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413056751 559073570 /nfs/dbraw/zinc/07/35/70/559073570.db2.gz WABNZHZAWQMXNZ-UHFFFAOYSA-N 2 2 372.425 2.830 20 5 FEBDLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414967319 559197694 /nfs/dbraw/zinc/19/76/94/559197694.db2.gz BAWADCPBZLRSIY-SFHVURJKSA-N 2 2 369.469 2.356 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000420317297 559480180 /nfs/dbraw/zinc/48/01/80/559480180.db2.gz ZIIZUFNZFHVAGL-MPKXVKKWSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000420317297 559480181 /nfs/dbraw/zinc/48/01/81/559480181.db2.gz ZIIZUFNZFHVAGL-MPKXVKKWSA-N 2 2 352.822 2.246 20 5 FEBDLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032488 559615848 /nfs/dbraw/zinc/61/58/48/559615848.db2.gz FLPONQWHERNHJD-LSDHHAIUSA-N 2 2 369.487 2.269 20 5 FEBDLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370049 559921499 /nfs/dbraw/zinc/92/14/99/559921499.db2.gz HGGOKHDCSIHTHW-GHMZBOCLSA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370049 559921500 /nfs/dbraw/zinc/92/15/00/559921500.db2.gz HGGOKHDCSIHTHW-GHMZBOCLSA-N 2 2 359.373 2.416 20 5 FEBDLP Cn1ccnc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435425461 559922513 /nfs/dbraw/zinc/92/25/13/559922513.db2.gz CZIQVXJYIVOCNZ-KRWDZBQOSA-N 2 2 355.442 2.473 20 5 FEBDLP Cn1ccnc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435425461 559922514 /nfs/dbraw/zinc/92/25/14/559922514.db2.gz CZIQVXJYIVOCNZ-KRWDZBQOSA-N 2 2 355.442 2.473 20 5 FEBDLP Cn1cc[nH+]c1CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435425461 559922515 /nfs/dbraw/zinc/92/25/15/559922515.db2.gz CZIQVXJYIVOCNZ-KRWDZBQOSA-N 2 2 355.442 2.473 20 5 FEBDLP CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435613415 559926174 /nfs/dbraw/zinc/92/61/74/559926174.db2.gz JSHSTQWBZOXMEP-ZDUSSCGKSA-N 2 2 350.419 2.006 20 5 FEBDLP CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435613415 559926175 /nfs/dbraw/zinc/92/61/75/559926175.db2.gz JSHSTQWBZOXMEP-ZDUSSCGKSA-N 2 2 350.419 2.006 20 5 FEBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514740 560163565 /nfs/dbraw/zinc/16/35/65/560163565.db2.gz HJQMBACNDMKQFP-ZACQAIPSSA-N 2 2 365.478 2.221 20 5 FEBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514740 560163566 /nfs/dbraw/zinc/16/35/66/560163566.db2.gz HJQMBACNDMKQFP-ZACQAIPSSA-N 2 2 365.478 2.221 20 5 FEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000449110583 560216224 /nfs/dbraw/zinc/21/62/24/560216224.db2.gz DZVXJCUYNWPTFN-QAPCUYQASA-N 2 2 362.474 2.058 20 5 FEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000449110583 560216225 /nfs/dbraw/zinc/21/62/25/560216225.db2.gz DZVXJCUYNWPTFN-QAPCUYQASA-N 2 2 362.474 2.058 20 5 FEBDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496146 560231828 /nfs/dbraw/zinc/23/18/28/560231828.db2.gz ISVMFBBNSHCFMM-LJQANCHMSA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496146 560231829 /nfs/dbraw/zinc/23/18/29/560231829.db2.gz ISVMFBBNSHCFMM-LJQANCHMSA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496146 560231830 /nfs/dbraw/zinc/23/18/30/560231830.db2.gz ISVMFBBNSHCFMM-LJQANCHMSA-N 2 2 374.485 2.361 20 5 FEBDLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450234064 560255053 /nfs/dbraw/zinc/25/50/53/560255053.db2.gz PPNHAQPLXRFWRO-HOTGVXAUSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450234064 560255054 /nfs/dbraw/zinc/25/50/54/560255054.db2.gz PPNHAQPLXRFWRO-HOTGVXAUSA-N 2 2 369.425 2.337 20 5 FEBDLP CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000451159772 560290616 /nfs/dbraw/zinc/29/06/16/560290616.db2.gz BUPWGGNIRKZMSY-QGZVFWFLSA-N 2 2 357.414 2.193 20 5 FEBDLP CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000451159772 560290617 /nfs/dbraw/zinc/29/06/17/560290617.db2.gz BUPWGGNIRKZMSY-QGZVFWFLSA-N 2 2 357.414 2.193 20 5 FEBDLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000457105486 560548995 /nfs/dbraw/zinc/54/89/95/560548995.db2.gz CMOXRAQIPQONPP-OAHLLOKOSA-N 2 2 357.414 2.335 20 5 FEBDLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000457105486 560548996 /nfs/dbraw/zinc/54/89/96/560548996.db2.gz CMOXRAQIPQONPP-OAHLLOKOSA-N 2 2 357.414 2.335 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459485466 560689120 /nfs/dbraw/zinc/68/91/20/560689120.db2.gz RITYMSDMVQGGJD-UHFFFAOYSA-N 2 2 352.398 2.199 20 5 FEBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854184861 682522329 /nfs/dbraw/zinc/52/23/29/682522329.db2.gz JQDOSXAHZXJRFW-UHFFFAOYSA-N 2 2 357.842 2.253 20 5 FEBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854184861 682522331 /nfs/dbraw/zinc/52/23/31/682522331.db2.gz JQDOSXAHZXJRFW-UHFFFAOYSA-N 2 2 357.842 2.253 20 5 FEBDLP Cc1cc(Cl)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000855415196 682667461 /nfs/dbraw/zinc/66/74/61/682667461.db2.gz UGAHIRNVZYMOAZ-UHFFFAOYSA-N 2 2 356.854 2.170 20 5 FEBDLP Cc1cc(Cl)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000855415196 682667464 /nfs/dbraw/zinc/66/74/64/682667464.db2.gz UGAHIRNVZYMOAZ-UHFFFAOYSA-N 2 2 356.854 2.170 20 5 FEBDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892792894 689244424 /nfs/dbraw/zinc/24/44/24/689244424.db2.gz IUQGGHCSXUSJPK-HNNXBMFYSA-N 2 2 368.865 2.281 20 5 FEBDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892792894 689244430 /nfs/dbraw/zinc/24/44/30/689244430.db2.gz IUQGGHCSXUSJPK-HNNXBMFYSA-N 2 2 368.865 2.281 20 5 FEBDLP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047144365 540292668 /nfs/dbraw/zinc/29/26/68/540292668.db2.gz YIZPWXAJXGQZIP-AWEZNQCLSA-N 2 2 357.414 2.385 20 5 FEBDLP C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047144365 540292672 /nfs/dbraw/zinc/29/26/72/540292672.db2.gz YIZPWXAJXGQZIP-AWEZNQCLSA-N 2 2 357.414 2.385 20 5 FEBDLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000050796827 540414535 /nfs/dbraw/zinc/41/45/35/540414535.db2.gz INNVEDAVFRYPGF-UHFFFAOYSA-N 2 2 360.458 2.192 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000080959944 542619317 /nfs/dbraw/zinc/61/93/17/542619317.db2.gz GXJXIKDLKSWWKT-LBPRGKRZSA-N 2 2 359.386 2.145 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000080959944 542619320 /nfs/dbraw/zinc/61/93/20/542619320.db2.gz GXJXIKDLKSWWKT-LBPRGKRZSA-N 2 2 359.386 2.145 20 5 FEBDLP Cc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000093142448 542912990 /nfs/dbraw/zinc/91/29/90/542912990.db2.gz SNKAMVNQXLIWSD-UHFFFAOYSA-N 2 2 374.485 2.279 20 5 FEBDLP CCc1cc(NC[C@](C)(O)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000133005408 544252280 /nfs/dbraw/zinc/25/22/80/544252280.db2.gz GYZGQLZITJFRMO-SFHVURJKSA-N 2 2 359.430 2.339 20 5 FEBDLP Cc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000119919460 326212415 /nfs/dbraw/zinc/21/24/15/326212415.db2.gz XOXMJTOHQKSMMS-UHFFFAOYSA-N 2 2 369.425 2.449 20 5 FEBDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264639966 329043697 /nfs/dbraw/zinc/04/36/97/329043697.db2.gz XJTWGPXYXBVGRK-QGZVFWFLSA-N 2 2 362.474 2.076 20 5 FEBDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264639966 329043698 /nfs/dbraw/zinc/04/36/98/329043698.db2.gz XJTWGPXYXBVGRK-QGZVFWFLSA-N 2 2 362.474 2.076 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164075 549067817 /nfs/dbraw/zinc/06/78/17/549067817.db2.gz OJOGLGULLPDYFY-KGLIPLIRSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164075 549067820 /nfs/dbraw/zinc/06/78/20/549067820.db2.gz OJOGLGULLPDYFY-KGLIPLIRSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246164075 549067824 /nfs/dbraw/zinc/06/78/24/549067824.db2.gz OJOGLGULLPDYFY-KGLIPLIRSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246164075 549067826 /nfs/dbraw/zinc/06/78/26/549067826.db2.gz OJOGLGULLPDYFY-KGLIPLIRSA-N 2 2 364.446 2.204 20 5 FEBDLP C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000248452845 549441215 /nfs/dbraw/zinc/44/12/15/549441215.db2.gz JUQJNNLSBQFNIE-INMHGKMJSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000248452845 549441218 /nfs/dbraw/zinc/44/12/18/549441218.db2.gz JUQJNNLSBQFNIE-INMHGKMJSA-N 2 2 360.414 2.114 20 5 FEBDLP C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000277381972 550663828 /nfs/dbraw/zinc/66/38/28/550663828.db2.gz WNQCOYVOWRYMDW-HNNXBMFYSA-N 2 2 357.414 2.337 20 5 FEBDLP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498549143 561527760 /nfs/dbraw/zinc/52/77/60/561527760.db2.gz GBTLKMFDFCJUQP-KBPBESRZSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498549143 561527761 /nfs/dbraw/zinc/52/77/61/561527761.db2.gz GBTLKMFDFCJUQP-KBPBESRZSA-N 2 2 357.414 2.335 20 5 FEBDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285396435 551749467 /nfs/dbraw/zinc/74/94/67/551749467.db2.gz DPFLSAQMLSVJIP-UHFFFAOYSA-N 2 2 351.447 2.154 20 5 FEBDLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332371392 554433517 /nfs/dbraw/zinc/43/35/17/554433517.db2.gz BCOXEHUYUOMCPD-DOTOQJQBSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332371392 554433520 /nfs/dbraw/zinc/43/35/20/554433520.db2.gz BCOXEHUYUOMCPD-DOTOQJQBSA-N 2 2 362.474 2.061 20 5 FEBDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830698 556149509 /nfs/dbraw/zinc/14/95/09/556149509.db2.gz IHWDFFPQHLRFEN-NVXWUHKLSA-N 2 2 363.458 2.283 20 5 FEBDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830698 556149511 /nfs/dbraw/zinc/14/95/11/556149511.db2.gz IHWDFFPQHLRFEN-NVXWUHKLSA-N 2 2 363.458 2.283 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777573 562143667 /nfs/dbraw/zinc/14/36/67/562143667.db2.gz VWENNSURUXWWBR-WCQYABFASA-N 2 2 371.384 2.289 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777573 562143668 /nfs/dbraw/zinc/14/36/68/562143668.db2.gz VWENNSURUXWWBR-WCQYABFASA-N 2 2 371.384 2.289 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378422049 558553091 /nfs/dbraw/zinc/55/30/91/558553091.db2.gz AKKYXVWCWKEUGX-GOSISDBHSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378422049 558553093 /nfs/dbraw/zinc/55/30/93/558553093.db2.gz AKKYXVWCWKEUGX-GOSISDBHSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378422049 558553095 /nfs/dbraw/zinc/55/30/95/558553095.db2.gz AKKYXVWCWKEUGX-GOSISDBHSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378422049 558553098 /nfs/dbraw/zinc/55/30/98/558553098.db2.gz AKKYXVWCWKEUGX-GOSISDBHSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414913461 559194909 /nfs/dbraw/zinc/19/49/09/559194909.db2.gz ZYKBYTSYTHCSEB-GFCCVEGCSA-N 2 2 359.373 2.479 20 5 FEBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000414925307 559195512 /nfs/dbraw/zinc/19/55/12/559195512.db2.gz IOZAPSPDNPPUNA-INIZCTEOSA-N 2 2 365.430 2.014 20 5 FEBDLP [NH3+]CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000420321894 559480300 /nfs/dbraw/zinc/48/03/00/559480300.db2.gz VXCBCOIXXIGIJU-UHFFFAOYSA-N 2 2 356.426 2.427 20 5 FEBDLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000420321894 559480301 /nfs/dbraw/zinc/48/03/01/559480301.db2.gz VXCBCOIXXIGIJU-UHFFFAOYSA-N 2 2 356.426 2.427 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422632233 559598985 /nfs/dbraw/zinc/59/89/85/559598985.db2.gz GLLRUQBFTNAFBP-RDBSUJKOSA-N 2 2 364.446 2.237 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422632233 559598986 /nfs/dbraw/zinc/59/89/86/559598986.db2.gz GLLRUQBFTNAFBP-RDBSUJKOSA-N 2 2 364.446 2.237 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430586918 559823842 /nfs/dbraw/zinc/82/38/42/559823842.db2.gz UJNZKKUVZIPNPA-CQSZACIVSA-N 2 2 352.435 2.237 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430586918 559823843 /nfs/dbraw/zinc/82/38/43/559823843.db2.gz UJNZKKUVZIPNPA-CQSZACIVSA-N 2 2 352.435 2.237 20 5 FEBDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635400 560117388 /nfs/dbraw/zinc/11/73/88/560117388.db2.gz BARLMQZNUQLTMJ-OAHLLOKOSA-N 2 2 361.446 2.404 20 5 FEBDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635400 560117389 /nfs/dbraw/zinc/11/73/89/560117389.db2.gz BARLMQZNUQLTMJ-OAHLLOKOSA-N 2 2 361.446 2.404 20 5 FEBDLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448726841 560196747 /nfs/dbraw/zinc/19/67/47/560196747.db2.gz VGXFBQYRPPQKHP-GJZGRUSLSA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448726841 560196748 /nfs/dbraw/zinc/19/67/48/560196748.db2.gz VGXFBQYRPPQKHP-GJZGRUSLSA-N 2 2 355.398 2.137 20 5 FEBDLP CC(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448895154 560205434 /nfs/dbraw/zinc/20/54/34/560205434.db2.gz NLDDZGCOFZUSOC-UHFFFAOYSA-N 2 2 357.414 2.337 20 5 FEBDLP CC(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448895154 560205436 /nfs/dbraw/zinc/20/54/36/560205436.db2.gz NLDDZGCOFZUSOC-UHFFFAOYSA-N 2 2 357.414 2.337 20 5 FEBDLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449914502 560245170 /nfs/dbraw/zinc/24/51/70/560245170.db2.gz VHADCFSAXBDMBA-QGZVFWFLSA-N 2 2 357.414 2.193 20 5 FEBDLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449914502 560245171 /nfs/dbraw/zinc/24/51/71/560245171.db2.gz VHADCFSAXBDMBA-QGZVFWFLSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449931150 560245619 /nfs/dbraw/zinc/24/56/19/560245619.db2.gz NWWPSJHCIVUFDP-ZFWWWQNUSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449931150 560245620 /nfs/dbraw/zinc/24/56/20/560245620.db2.gz NWWPSJHCIVUFDP-ZFWWWQNUSA-N 2 2 357.414 2.193 20 5 FEBDLP CC(C)[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000450096237 560250580 /nfs/dbraw/zinc/25/05/80/560250580.db2.gz GOCDAFRVMGKSFQ-ZFWWWQNUSA-N 2 2 357.414 2.239 20 5 FEBDLP CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000450096237 560250581 /nfs/dbraw/zinc/25/05/81/560250581.db2.gz GOCDAFRVMGKSFQ-ZFWWWQNUSA-N 2 2 357.414 2.239 20 5 FEBDLP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000451195144 560292399 /nfs/dbraw/zinc/29/23/99/560292399.db2.gz XESZSLJGOJMMGJ-OAHLLOKOSA-N 2 2 357.414 2.337 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531714936 562454563 /nfs/dbraw/zinc/45/45/63/562454563.db2.gz AHAOBOIVOAXJSW-OAHLLOKOSA-N 2 2 362.474 2.497 20 5 FEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762741 684583403 /nfs/dbraw/zinc/58/34/03/684583403.db2.gz NRPDIEALXYJFCF-ZWNOBZJWSA-N 2 2 358.236 2.214 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000050801968 540414649 /nfs/dbraw/zinc/41/46/49/540414649.db2.gz MMQWTFJVBNQYRJ-VOTSOKGWSA-N 2 2 372.469 2.283 20 5 FEBDLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000064736645 541216229 /nfs/dbraw/zinc/21/62/29/541216229.db2.gz SWRVPBOIBSEOLX-ZDUSSCGKSA-N 2 2 368.397 2.352 20 5 FEBDLP C[NH+]1CCC(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000110417843 206075301 /nfs/dbraw/zinc/07/53/01/206075301.db2.gz OKFMYPQCDOHBGK-UHFFFAOYSA-N 2 2 357.414 2.242 20 5 FEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000123786366 543782493 /nfs/dbraw/zinc/78/24/93/543782493.db2.gz OUZBMYKBIOBJFM-CQSZACIVSA-N 2 2 357.414 2.222 20 5 FEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000123786366 543782498 /nfs/dbraw/zinc/78/24/98/543782498.db2.gz OUZBMYKBIOBJFM-CQSZACIVSA-N 2 2 357.414 2.222 20 5 FEBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191473037 328267462 /nfs/dbraw/zinc/26/74/62/328267462.db2.gz XHWYPCGKLMQPLV-UHFFFAOYSA-N 2 2 359.430 2.365 20 5 FEBDLP CC(C)[NH+]1CCC([NH+]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000278564705 550799563 /nfs/dbraw/zinc/79/95/63/550799563.db2.gz WWHBUQLTWWNGAM-UHFFFAOYSA-N 2 2 372.473 2.466 20 5 FEBDLP COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000301845719 553685225 /nfs/dbraw/zinc/68/52/25/553685225.db2.gz MHDLSROSWKCYAG-JJTKIYQPSA-N 2 2 374.485 2.488 20 5 FEBDLP COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000301845719 553685227 /nfs/dbraw/zinc/68/52/27/553685227.db2.gz MHDLSROSWKCYAG-JJTKIYQPSA-N 2 2 374.485 2.488 20 5 FEBDLP O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414028 555099715 /nfs/dbraw/zinc/09/97/15/555099715.db2.gz JGVNAQGTPCEILX-NXHRZFHOSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414028 555099717 /nfs/dbraw/zinc/09/97/17/555099717.db2.gz JGVNAQGTPCEILX-NXHRZFHOSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414028 555099720 /nfs/dbraw/zinc/09/97/20/555099720.db2.gz JGVNAQGTPCEILX-NXHRZFHOSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414028 555099724 /nfs/dbraw/zinc/09/97/24/555099724.db2.gz JGVNAQGTPCEILX-NXHRZFHOSA-N 2 2 359.426 2.377 20 5 FEBDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830695 556149330 /nfs/dbraw/zinc/14/93/30/556149330.db2.gz IHWDFFPQHLRFEN-DOTOQJQBSA-N 2 2 363.458 2.283 20 5 FEBDLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830695 556149335 /nfs/dbraw/zinc/14/93/35/556149335.db2.gz IHWDFFPQHLRFEN-DOTOQJQBSA-N 2 2 363.458 2.283 20 5 FEBDLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374212036 557844030 /nfs/dbraw/zinc/84/40/30/557844030.db2.gz OFUQJJUXUGWXGZ-UHFFFAOYSA-N 2 2 355.398 2.087 20 5 FEBDLP C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000374260480 557854061 /nfs/dbraw/zinc/85/40/61/557854061.db2.gz WBIGUEVPSLXRBF-MRXNPFEDSA-N 2 2 362.474 2.074 20 5 FEBDLP C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000374260480 557854063 /nfs/dbraw/zinc/85/40/63/557854063.db2.gz WBIGUEVPSLXRBF-MRXNPFEDSA-N 2 2 362.474 2.074 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000374783049 557930877 /nfs/dbraw/zinc/93/08/77/557930877.db2.gz VPKFJOULUQOLHV-INIZCTEOSA-N 2 2 350.438 2.334 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000374783049 557930878 /nfs/dbraw/zinc/93/08/78/557930878.db2.gz VPKFJOULUQOLHV-INIZCTEOSA-N 2 2 350.438 2.334 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000421795427 559553820 /nfs/dbraw/zinc/55/38/20/559553820.db2.gz IGALLTBMDHJSMG-MRXNPFEDSA-N 2 2 374.485 2.452 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000421795427 559553821 /nfs/dbraw/zinc/55/38/21/559553821.db2.gz IGALLTBMDHJSMG-MRXNPFEDSA-N 2 2 374.485 2.452 20 5 FEBDLP C[C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424050043 559652700 /nfs/dbraw/zinc/65/27/00/559652700.db2.gz AULIIZAJEHJGTO-VNHYZAJKSA-N 2 2 357.414 2.226 20 5 FEBDLP CC(C)[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447803946 560169463 /nfs/dbraw/zinc/16/94/63/560169463.db2.gz CKLGRBNWJLPJKQ-IBGZPJMESA-N 2 2 362.474 2.203 20 5 FEBDLP CC(C)[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000447803946 560169464 /nfs/dbraw/zinc/16/94/64/560169464.db2.gz CKLGRBNWJLPJKQ-IBGZPJMESA-N 2 2 362.474 2.203 20 5 FEBDLP COC(=O)COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000475710112 561102846 /nfs/dbraw/zinc/10/28/46/561102846.db2.gz OXQVVTDMRVUYSF-UHFFFAOYSA-N 2 2 374.397 2.180 20 5 FEBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000535313765 562555623 /nfs/dbraw/zinc/55/56/23/562555623.db2.gz MUKZPEPISYNXER-CQSZACIVSA-N 2 2 357.414 2.455 20 5 FEBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000535313765 562555624 /nfs/dbraw/zinc/55/56/24/562555624.db2.gz MUKZPEPISYNXER-CQSZACIVSA-N 2 2 357.414 2.455 20 5 FEBDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594714664 673121972 /nfs/dbraw/zinc/12/19/72/673121972.db2.gz SCPIGPUPNUDUNV-INIZCTEOSA-N 2 2 351.447 2.139 20 5 FEBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594714664 673121973 /nfs/dbraw/zinc/12/19/73/673121973.db2.gz SCPIGPUPNUDUNV-INIZCTEOSA-N 2 2 351.447 2.139 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000125336848 543876145 /nfs/dbraw/zinc/87/61/45/543876145.db2.gz BFQRWUKYRLYIND-UHFFFAOYSA-N 2 2 360.458 2.192 20 5 FEBDLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc([N+](=O)[O-])c1 ZINC000154218303 544877498 /nfs/dbraw/zinc/87/74/98/544877498.db2.gz UBXZMZGGGQJGGH-JWTNVVGKSA-N 2 2 372.469 2.286 20 5 FEBDLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc([N+](=O)[O-])c1 ZINC000154218303 544877502 /nfs/dbraw/zinc/87/75/02/544877502.db2.gz UBXZMZGGGQJGGH-JWTNVVGKSA-N 2 2 372.469 2.286 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095751 325159781 /nfs/dbraw/zinc/15/97/81/325159781.db2.gz VCWNVIPCCCETAP-CJNGLKHVSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095751 325159783 /nfs/dbraw/zinc/15/97/83/325159783.db2.gz VCWNVIPCCCETAP-CJNGLKHVSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095751 325159785 /nfs/dbraw/zinc/15/97/85/325159785.db2.gz VCWNVIPCCCETAP-CJNGLKHVSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095751 325159788 /nfs/dbraw/zinc/15/97/88/325159788.db2.gz VCWNVIPCCCETAP-CJNGLKHVSA-N 2 2 364.446 2.204 20 5 FEBDLP C[NH+]1CCC(CNC(=O)Cc2cccc([N+](=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000172751947 327217032 /nfs/dbraw/zinc/21/70/32/327217032.db2.gz SQXIGKQDAZXTDS-UHFFFAOYSA-N 2 2 374.485 2.204 20 5 FEBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272570753 329792709 /nfs/dbraw/zinc/79/27/09/329792709.db2.gz VUILDOMTNMZMKC-KRWDZBQOSA-N 2 2 373.457 2.118 20 5 FEBDLP C[NH+](C)C1CC[NH+](CCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268483140 550074186 /nfs/dbraw/zinc/07/41/86/550074186.db2.gz LVQLACGUQAQTLT-UHFFFAOYSA-N 2 2 372.267 2.190 20 5 FEBDLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000268812800 550118656 /nfs/dbraw/zinc/11/86/56/550118656.db2.gz DPLLELFJWDJJSF-RDJZCZTQSA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000268812800 550118659 /nfs/dbraw/zinc/11/86/59/550118659.db2.gz DPLLELFJWDJJSF-RDJZCZTQSA-N 2 2 362.474 2.497 20 5 FEBDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287982338 552070672 /nfs/dbraw/zinc/07/06/72/552070672.db2.gz APHCXOAFHHURLN-ZBFHGGJFSA-N 2 2 369.425 2.479 20 5 FEBDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367284684 556008364 /nfs/dbraw/zinc/00/83/64/556008364.db2.gz FLUQCPNYJQMJPX-MRXNPFEDSA-N 2 2 350.438 2.336 20 5 FEBDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367284684 556008365 /nfs/dbraw/zinc/00/83/65/556008365.db2.gz FLUQCPNYJQMJPX-MRXNPFEDSA-N 2 2 350.438 2.336 20 5 FEBDLP C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000370121532 556786406 /nfs/dbraw/zinc/78/64/06/556786406.db2.gz MSHMXYZOQFCOFC-CQSZACIVSA-N 2 2 359.474 2.168 20 5 FEBDLP C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000370121532 556786408 /nfs/dbraw/zinc/78/64/08/556786408.db2.gz MSHMXYZOQFCOFC-CQSZACIVSA-N 2 2 359.474 2.168 20 5 FEBDLP CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370820512 556979676 /nfs/dbraw/zinc/97/96/76/556979676.db2.gz PKOIUHISEQSJSK-DVBCCOPCSA-N 2 2 372.469 2.235 20 5 FEBDLP CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370820512 556979678 /nfs/dbraw/zinc/97/96/78/556979678.db2.gz PKOIUHISEQSJSK-DVBCCOPCSA-N 2 2 372.469 2.235 20 5 FEBDLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422640045 559599449 /nfs/dbraw/zinc/59/94/49/559599449.db2.gz UQZWQJBHOBFXRE-IJLUTSLNSA-N 2 2 354.838 2.492 20 5 FEBDLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422640045 559599450 /nfs/dbraw/zinc/59/94/50/559599450.db2.gz UQZWQJBHOBFXRE-IJLUTSLNSA-N 2 2 354.838 2.492 20 5 FEBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514738 560163606 /nfs/dbraw/zinc/16/36/06/560163606.db2.gz HJQMBACNDMKQFP-IKGGRYGDSA-N 2 2 365.478 2.221 20 5 FEBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514738 560163607 /nfs/dbraw/zinc/16/36/07/560163607.db2.gz HJQMBACNDMKQFP-IKGGRYGDSA-N 2 2 365.478 2.221 20 5 FEBDLP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449992137 560247579 /nfs/dbraw/zinc/24/75/79/560247579.db2.gz WVGXXNJEHWHJOK-HNNXBMFYSA-N 2 2 357.414 2.337 20 5 FEBDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548015 560313769 /nfs/dbraw/zinc/31/37/69/560313769.db2.gz LYOSBYOHTZSULR-FUHWJXTLSA-N 2 2 374.485 2.327 20 5 FEBDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548015 560313770 /nfs/dbraw/zinc/31/37/70/560313770.db2.gz LYOSBYOHTZSULR-FUHWJXTLSA-N 2 2 374.485 2.327 20 5 FEBDLP CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457089725 560548000 /nfs/dbraw/zinc/54/80/00/560548000.db2.gz QJOABPNXJAGJNM-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470112779 560974493 /nfs/dbraw/zinc/97/44/93/560974493.db2.gz FQDVMIJCMYCQCG-UHFFFAOYSA-N 2 2 367.425 2.224 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470112779 560974494 /nfs/dbraw/zinc/97/44/94/560974494.db2.gz FQDVMIJCMYCQCG-UHFFFAOYSA-N 2 2 367.425 2.224 20 5 FEBDLP CC[N@H+](C)C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472362374 561025038 /nfs/dbraw/zinc/02/50/38/561025038.db2.gz VYROELZFXYLMKX-KRWDZBQOSA-N 2 2 362.474 2.205 20 5 FEBDLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472362374 561025039 /nfs/dbraw/zinc/02/50/39/561025039.db2.gz VYROELZFXYLMKX-KRWDZBQOSA-N 2 2 362.474 2.205 20 5 FEBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000570474665 568478175 /nfs/dbraw/zinc/47/81/75/568478175.db2.gz MRBCVPAZTYEHJY-YYIAUSFCSA-N 2 2 365.478 2.364 20 5 FEBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000570474665 568478176 /nfs/dbraw/zinc/47/81/76/568478176.db2.gz MRBCVPAZTYEHJY-YYIAUSFCSA-N 2 2 365.478 2.364 20 5 FEBDLP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717814 684138973 /nfs/dbraw/zinc/13/89/73/684138973.db2.gz PTVQRINVRSSAMR-WBMJQRKESA-N 2 2 350.394 2.136 20 5 FEBDLP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717814 684138977 /nfs/dbraw/zinc/13/89/77/684138977.db2.gz PTVQRINVRSSAMR-WBMJQRKESA-N 2 2 350.394 2.136 20 5 FEBDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068359707 541581915 /nfs/dbraw/zinc/58/19/15/541581915.db2.gz SWRVPBOIBSEOLX-CYBMUJFWSA-N 2 2 368.397 2.352 20 5 FEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000175213142 327380443 /nfs/dbraw/zinc/38/04/43/327380443.db2.gz WCRWCIRJFWKLFR-SFHVURJKSA-N 2 2 362.474 2.205 20 5 FEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000175213142 327380445 /nfs/dbraw/zinc/38/04/45/327380445.db2.gz WCRWCIRJFWKLFR-SFHVURJKSA-N 2 2 362.474 2.205 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000264963598 329078867 /nfs/dbraw/zinc/07/88/67/329078867.db2.gz MUPZOQORKPVNDU-UHFFFAOYSA-N 2 2 355.398 2.091 20 5 FEBDLP C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177036990 546529606 /nfs/dbraw/zinc/52/96/06/546529606.db2.gz JGVCBHQSYMMFDK-GXTWGEPZSA-N 2 2 355.398 2.136 20 5 FEBDLP C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177036990 546529608 /nfs/dbraw/zinc/52/96/08/546529608.db2.gz JGVCBHQSYMMFDK-GXTWGEPZSA-N 2 2 355.398 2.136 20 5 FEBDLP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000247962849 549395098 /nfs/dbraw/zinc/39/50/98/549395098.db2.gz GKZUJQYCCQKUSZ-JKSUJKDBSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000247962849 549395102 /nfs/dbraw/zinc/39/51/02/549395102.db2.gz GKZUJQYCCQKUSZ-JKSUJKDBSA-N 2 2 369.425 2.337 20 5 FEBDLP O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000295908855 553074598 /nfs/dbraw/zinc/07/45/98/553074598.db2.gz DDEHPKDNIZZSAP-UHFFFAOYSA-N 2 2 364.409 2.498 20 5 FEBDLP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361366905 554918658 /nfs/dbraw/zinc/91/86/58/554918658.db2.gz UUTMFMRWADNCEP-CJNGLKHVSA-N 2 2 355.398 2.303 20 5 FEBDLP O=C1[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361366905 554918659 /nfs/dbraw/zinc/91/86/59/554918659.db2.gz UUTMFMRWADNCEP-CJNGLKHVSA-N 2 2 355.398 2.303 20 5 FEBDLP C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000364386767 555303729 /nfs/dbraw/zinc/30/37/29/555303729.db2.gz RRKPNOCXHSUATC-ZDUSSCGKSA-N 2 2 363.418 2.108 20 5 FEBDLP C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000364386767 555303732 /nfs/dbraw/zinc/30/37/32/555303732.db2.gz RRKPNOCXHSUATC-ZDUSSCGKSA-N 2 2 363.418 2.108 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976181 556465440 /nfs/dbraw/zinc/46/54/40/556465440.db2.gz UNUVHMLSRLBAAC-FZMZJTMJSA-N 2 2 364.475 2.093 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976181 556465441 /nfs/dbraw/zinc/46/54/41/556465441.db2.gz UNUVHMLSRLBAAC-FZMZJTMJSA-N 2 2 364.475 2.093 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253985 556551249 /nfs/dbraw/zinc/55/12/49/556551249.db2.gz JCDBRTFJTNFUMQ-LBPRGKRZSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253985 556551251 /nfs/dbraw/zinc/55/12/51/556551251.db2.gz JCDBRTFJTNFUMQ-LBPRGKRZSA-N 2 2 366.849 2.147 20 5 FEBDLP Cc1c([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000375501786 558038790 /nfs/dbraw/zinc/03/87/90/558038790.db2.gz HDJCIBIABCEOSZ-RVZJWNSFSA-N 2 2 357.414 2.307 20 5 FEBDLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000375517746 558041885 /nfs/dbraw/zinc/04/18/85/558041885.db2.gz ZTRXUCDSZPCITR-FRQCXROJSA-N 2 2 369.425 2.315 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000375899475 558096080 /nfs/dbraw/zinc/09/60/80/558096080.db2.gz CDRNNLYOTYFFLN-KRWDZBQOSA-N 2 2 350.438 2.334 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000375899475 558096082 /nfs/dbraw/zinc/09/60/82/558096082.db2.gz CDRNNLYOTYFFLN-KRWDZBQOSA-N 2 2 350.438 2.334 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2C[C@@H](C3CC3)[N@H+](Cc3ccccc3)C2)c1 ZINC000377411494 558335555 /nfs/dbraw/zinc/33/55/55/558335555.db2.gz LNFKTIQLXISASP-MJGOQNOKSA-N 2 2 355.442 2.434 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2C[C@@H](C3CC3)[N@@H+](Cc3ccccc3)C2)c1 ZINC000377411494 558335557 /nfs/dbraw/zinc/33/55/57/558335557.db2.gz LNFKTIQLXISASP-MJGOQNOKSA-N 2 2 355.442 2.434 20 5 FEBDLP C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420318425 559480148 /nfs/dbraw/zinc/48/01/48/559480148.db2.gz OAQCIXJENQGJLR-QYJAPNMZSA-N 2 2 352.822 2.402 20 5 FEBDLP C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420318425 559480149 /nfs/dbraw/zinc/48/01/49/559480149.db2.gz OAQCIXJENQGJLR-QYJAPNMZSA-N 2 2 352.822 2.402 20 5 FEBDLP Cn1ccnc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435425462 559922593 /nfs/dbraw/zinc/92/25/93/559922593.db2.gz CZIQVXJYIVOCNZ-QGZVFWFLSA-N 2 2 355.442 2.473 20 5 FEBDLP Cn1ccnc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435425462 559922594 /nfs/dbraw/zinc/92/25/94/559922594.db2.gz CZIQVXJYIVOCNZ-QGZVFWFLSA-N 2 2 355.442 2.473 20 5 FEBDLP Cn1cc[nH+]c1CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435425462 559922595 /nfs/dbraw/zinc/92/25/95/559922595.db2.gz CZIQVXJYIVOCNZ-QGZVFWFLSA-N 2 2 355.442 2.473 20 5 FEBDLP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448958666 560208837 /nfs/dbraw/zinc/20/88/37/560208837.db2.gz ZPFDMFPLEWRHEO-HNNXBMFYSA-N 2 2 357.414 2.385 20 5 FEBDLP CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448958666 560208839 /nfs/dbraw/zinc/20/88/39/560208839.db2.gz ZPFDMFPLEWRHEO-HNNXBMFYSA-N 2 2 357.414 2.385 20 5 FEBDLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449931149 560245723 /nfs/dbraw/zinc/24/57/23/560245723.db2.gz NWWPSJHCIVUFDP-UKRRQHHQSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449931149 560245724 /nfs/dbraw/zinc/24/57/24/560245724.db2.gz NWWPSJHCIVUFDP-UKRRQHHQSA-N 2 2 357.414 2.193 20 5 FEBDLP C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000458157560 560605800 /nfs/dbraw/zinc/60/58/00/560605800.db2.gz CQCRGCKTXWWZHV-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000458157560 560605801 /nfs/dbraw/zinc/60/58/01/560605801.db2.gz CQCRGCKTXWWZHV-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000458221344 560609721 /nfs/dbraw/zinc/60/97/21/560609721.db2.gz ZMYUBENYBGQISP-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000458221344 560609722 /nfs/dbraw/zinc/60/97/22/560609722.db2.gz ZMYUBENYBGQISP-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000841099372 680863371 /nfs/dbraw/zinc/86/33/71/680863371.db2.gz JAIFELFQBKFQSF-CQSZACIVSA-N 2 2 350.810 2.136 20 5 FEBDLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000841099372 680863372 /nfs/dbraw/zinc/86/33/72/680863372.db2.gz JAIFELFQBKFQSF-CQSZACIVSA-N 2 2 350.810 2.136 20 5 FEBDLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000055538180 540657522 /nfs/dbraw/zinc/65/75/22/540657522.db2.gz GKYKOIVJKUYDGT-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000066568144 541338034 /nfs/dbraw/zinc/33/80/34/541338034.db2.gz CCOUQDNKVYTZJP-UHFFFAOYSA-N 2 2 374.485 2.361 20 5 FEBDLP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857318 541718390 /nfs/dbraw/zinc/71/83/90/541718390.db2.gz FEDWIOQBJVXXNR-QGZVFWFLSA-N 2 2 363.458 2.408 20 5 FEBDLP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857318 541718392 /nfs/dbraw/zinc/71/83/92/541718392.db2.gz FEDWIOQBJVXXNR-QGZVFWFLSA-N 2 2 363.458 2.408 20 5 FEBDLP O=C1[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000080961358 542619534 /nfs/dbraw/zinc/61/95/34/542619534.db2.gz UUTMFMRWADNCEP-BBRMVZONSA-N 2 2 355.398 2.303 20 5 FEBDLP O=C1[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000080961358 542619540 /nfs/dbraw/zinc/61/95/40/542619540.db2.gz UUTMFMRWADNCEP-BBRMVZONSA-N 2 2 355.398 2.303 20 5 FEBDLP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000093562734 542933741 /nfs/dbraw/zinc/93/37/41/542933741.db2.gz PYQRXPMOEDRAQU-UHFFFAOYSA-N 2 2 356.430 2.081 20 5 FEBDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109755334 543336880 /nfs/dbraw/zinc/33/68/80/543336880.db2.gz DBHVAVLQPHGZDZ-GOSISDBHSA-N 2 2 362.474 2.076 20 5 FEBDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109755334 543336882 /nfs/dbraw/zinc/33/68/82/543336882.db2.gz DBHVAVLQPHGZDZ-GOSISDBHSA-N 2 2 362.474 2.076 20 5 FEBDLP Cc1sc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000112921512 543468793 /nfs/dbraw/zinc/46/87/93/543468793.db2.gz GLVRJJFGGNQMRR-UHFFFAOYSA-N 2 2 354.476 2.063 20 5 FEBDLP Cc1sc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000112921512 543468796 /nfs/dbraw/zinc/46/87/96/543468796.db2.gz GLVRJJFGGNQMRR-UHFFFAOYSA-N 2 2 354.476 2.063 20 5 FEBDLP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000120340753 326250799 /nfs/dbraw/zinc/25/07/99/326250799.db2.gz YQDMFWYXZYVVFB-OAHLLOKOSA-N 2 2 373.457 2.053 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156559625 545635823 /nfs/dbraw/zinc/63/58/23/545635823.db2.gz JBMPRKIIJIYACB-BBRMVZONSA-N 2 2 373.413 2.322 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156559625 545635826 /nfs/dbraw/zinc/63/58/26/545635826.db2.gz JBMPRKIIJIYACB-BBRMVZONSA-N 2 2 373.413 2.322 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000478302924 561163977 /nfs/dbraw/zinc/16/39/77/561163977.db2.gz MPBAOFQXACCRBK-LJQANCHMSA-N 2 2 359.401 2.461 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000478302924 561163978 /nfs/dbraw/zinc/16/39/78/561163978.db2.gz MPBAOFQXACCRBK-LJQANCHMSA-N 2 2 359.401 2.461 20 5 FEBDLP O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000177228552 546574673 /nfs/dbraw/zinc/57/46/73/546574673.db2.gz QQONUFYQNYARJD-UHFFFAOYSA-N 2 2 364.409 2.498 20 5 FEBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177757783 546680606 /nfs/dbraw/zinc/68/06/06/546680606.db2.gz CQUJWPMYTCAAEY-CVEARBPZSA-N 2 2 369.425 2.479 20 5 FEBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177757783 546680611 /nfs/dbraw/zinc/68/06/11/546680611.db2.gz CQUJWPMYTCAAEY-CVEARBPZSA-N 2 2 369.425 2.479 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000182851019 547561617 /nfs/dbraw/zinc/56/16/17/547561617.db2.gz NUNJJZURVKYPKM-CRAIPNDOSA-N 2 2 360.458 2.203 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000182851019 547561622 /nfs/dbraw/zinc/56/16/22/547561622.db2.gz NUNJJZURVKYPKM-CRAIPNDOSA-N 2 2 360.458 2.203 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000246904604 549239461 /nfs/dbraw/zinc/23/94/61/549239461.db2.gz MFQKPKORXFXCLV-KGLIPLIRSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000246904604 549239462 /nfs/dbraw/zinc/23/94/62/549239462.db2.gz MFQKPKORXFXCLV-KGLIPLIRSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000246904604 549239464 /nfs/dbraw/zinc/23/94/64/549239464.db2.gz MFQKPKORXFXCLV-KGLIPLIRSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000246904604 549239465 /nfs/dbraw/zinc/23/94/65/549239465.db2.gz MFQKPKORXFXCLV-KGLIPLIRSA-N 2 2 364.446 2.204 20 5 FEBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000278638721 550806843 /nfs/dbraw/zinc/80/68/43/550806843.db2.gz OSSHVICCYLINOE-UHFFFAOYSA-N 2 2 370.409 2.441 20 5 FEBDLP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498549144 561527790 /nfs/dbraw/zinc/52/77/90/561527790.db2.gz GBTLKMFDFCJUQP-KGLIPLIRSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498549144 561527791 /nfs/dbraw/zinc/52/77/91/561527791.db2.gz GBTLKMFDFCJUQP-KGLIPLIRSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498549146 561527810 /nfs/dbraw/zinc/52/78/10/561527810.db2.gz GBTLKMFDFCJUQP-UONOGXRCSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498549146 561527811 /nfs/dbraw/zinc/52/78/11/561527811.db2.gz GBTLKMFDFCJUQP-UONOGXRCSA-N 2 2 357.414 2.335 20 5 FEBDLP Cc1c[nH+]ccc1OC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000289458831 552325270 /nfs/dbraw/zinc/32/52/70/552325270.db2.gz VPZAUCAOQLWFQN-UHFFFAOYSA-N 2 2 358.398 2.003 20 5 FEBDLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC000332103268 554381065 /nfs/dbraw/zinc/38/10/65/554381065.db2.gz FYFCPFNKBASARK-UHFFFAOYSA-N 2 2 362.474 2.150 20 5 FEBDLP CC(C)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332435679 554445937 /nfs/dbraw/zinc/44/59/37/554445937.db2.gz GYWMYEDBHSFMNW-QGZVFWFLSA-N 2 2 357.414 2.193 20 5 FEBDLP CC(C)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000332435679 554445939 /nfs/dbraw/zinc/44/59/39/554445939.db2.gz GYWMYEDBHSFMNW-QGZVFWFLSA-N 2 2 357.414 2.193 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976180 556465526 /nfs/dbraw/zinc/46/55/26/556465526.db2.gz UNUVHMLSRLBAAC-BXUZGUMPSA-N 2 2 364.475 2.093 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976180 556465529 /nfs/dbraw/zinc/46/55/29/556465529.db2.gz UNUVHMLSRLBAAC-BXUZGUMPSA-N 2 2 364.475 2.093 20 5 FEBDLP Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000370817509 556976946 /nfs/dbraw/zinc/97/69/46/556976946.db2.gz CNOOVQJRTHCYBE-KRWDZBQOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000370817509 556976950 /nfs/dbraw/zinc/97/69/50/556976950.db2.gz CNOOVQJRTHCYBE-KRWDZBQOSA-N 2 2 360.458 2.144 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373762821 557753856 /nfs/dbraw/zinc/75/38/56/557753856.db2.gz YKQDRCHGHLRNQO-MAUKXSAKSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373762821 557753858 /nfs/dbraw/zinc/75/38/58/557753858.db2.gz YKQDRCHGHLRNQO-MAUKXSAKSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373785312 557758487 /nfs/dbraw/zinc/75/84/87/557758487.db2.gz COKGTHHSNIVUNO-SFHVURJKSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373785312 557758488 /nfs/dbraw/zinc/75/84/88/557758488.db2.gz COKGTHHSNIVUNO-SFHVURJKSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373785312 557758490 /nfs/dbraw/zinc/75/84/90/557758490.db2.gz COKGTHHSNIVUNO-SFHVURJKSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373785312 557758491 /nfs/dbraw/zinc/75/84/91/557758491.db2.gz COKGTHHSNIVUNO-SFHVURJKSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374202082 557842741 /nfs/dbraw/zinc/84/27/41/557842741.db2.gz YWXMPKCBEASVJT-UHFFFAOYSA-N 2 2 359.386 2.145 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000377264836 558301663 /nfs/dbraw/zinc/30/16/63/558301663.db2.gz BLGLMFMJWDEOIT-HNNXBMFYSA-N 2 2 369.425 2.097 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000377264836 558301665 /nfs/dbraw/zinc/30/16/65/558301665.db2.gz BLGLMFMJWDEOIT-HNNXBMFYSA-N 2 2 369.425 2.097 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378369089 558540938 /nfs/dbraw/zinc/54/09/38/558540938.db2.gz IXEPTCWIGNQHKK-OAHLLOKOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378369089 558540939 /nfs/dbraw/zinc/54/09/39/558540939.db2.gz IXEPTCWIGNQHKK-OAHLLOKOSA-N 2 2 360.458 2.144 20 5 FEBDLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000415137226 559207724 /nfs/dbraw/zinc/20/77/24/559207724.db2.gz YAUHSUXYABAMFR-CQSZACIVSA-N 2 2 350.810 2.136 20 5 FEBDLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000415137226 559207726 /nfs/dbraw/zinc/20/77/26/559207726.db2.gz YAUHSUXYABAMFR-CQSZACIVSA-N 2 2 350.810 2.136 20 5 FEBDLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420363645 559483214 /nfs/dbraw/zinc/48/32/14/559483214.db2.gz PQFMCHMNIWZULA-PMACEKPBSA-N 2 2 355.438 2.490 20 5 FEBDLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420363645 559483215 /nfs/dbraw/zinc/48/32/15/559483215.db2.gz PQFMCHMNIWZULA-PMACEKPBSA-N 2 2 355.438 2.490 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568034 559822909 /nfs/dbraw/zinc/82/29/09/559822909.db2.gz BXBIOWHCLKJSNG-JSGCOSHPSA-N 2 2 352.435 2.236 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568034 559822910 /nfs/dbraw/zinc/82/29/10/559822910.db2.gz BXBIOWHCLKJSNG-JSGCOSHPSA-N 2 2 352.435 2.236 20 5 FEBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382340 559921926 /nfs/dbraw/zinc/92/19/26/559921926.db2.gz YXYDQYFXMMGILA-UHTWSYAYSA-N 2 2 371.384 2.416 20 5 FEBDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382340 559921927 /nfs/dbraw/zinc/92/19/27/559921927.db2.gz YXYDQYFXMMGILA-UHTWSYAYSA-N 2 2 371.384 2.416 20 5 FEBDLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449884296 560244013 /nfs/dbraw/zinc/24/40/13/560244013.db2.gz OOZSODLSBWXBMG-ZBFHGGJFSA-N 2 2 369.425 2.479 20 5 FEBDLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449884296 560244014 /nfs/dbraw/zinc/24/40/14/560244014.db2.gz OOZSODLSBWXBMG-ZBFHGGJFSA-N 2 2 369.425 2.479 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000531706321 562454440 /nfs/dbraw/zinc/45/44/40/562454440.db2.gz CRQJVCPWESKOQQ-QAPCUYQASA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000531706321 562454441 /nfs/dbraw/zinc/45/44/41/562454441.db2.gz CRQJVCPWESKOQQ-QAPCUYQASA-N 2 2 362.474 2.497 20 5 FEBDLP CN(c1ccccc1)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000563136673 568270012 /nfs/dbraw/zinc/27/00/12/568270012.db2.gz GMPCHPCLBXOVKD-SFHVURJKSA-N 2 2 369.469 2.437 20 5 FEBDLP CN(c1ccccc1)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000563136673 568270013 /nfs/dbraw/zinc/27/00/13/568270013.db2.gz GMPCHPCLBXOVKD-SFHVURJKSA-N 2 2 369.469 2.437 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181094561 547248127 /nfs/dbraw/zinc/24/81/27/547248127.db2.gz SXQTXQKHMNTEEW-ZDUSSCGKSA-N 2 2 361.402 2.149 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181094561 547248133 /nfs/dbraw/zinc/24/81/33/547248133.db2.gz SXQTXQKHMNTEEW-ZDUSSCGKSA-N 2 2 361.402 2.149 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000182851035 547561936 /nfs/dbraw/zinc/56/19/36/547561936.db2.gz NUNJJZURVKYPKM-MAUKXSAKSA-N 2 2 360.458 2.203 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000182851035 547561938 /nfs/dbraw/zinc/56/19/38/547561938.db2.gz NUNJJZURVKYPKM-MAUKXSAKSA-N 2 2 360.458 2.203 20 5 FEBDLP C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713758 548024274 /nfs/dbraw/zinc/02/42/74/548024274.db2.gz CGMHOIPNDCUPHO-BBRMVZONSA-N 2 2 360.458 2.436 20 5 FEBDLP C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713758 548024275 /nfs/dbraw/zinc/02/42/75/548024275.db2.gz CGMHOIPNDCUPHO-BBRMVZONSA-N 2 2 360.458 2.436 20 5 FEBDLP CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187010567 548239802 /nfs/dbraw/zinc/23/98/02/548239802.db2.gz WWAHWTFSQSVEEH-UHFFFAOYSA-N 2 2 357.414 2.337 20 5 FEBDLP C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000332383325 554435733 /nfs/dbraw/zinc/43/57/33/554435733.db2.gz HTTKZOSWXNAUJT-CQSZACIVSA-N 2 2 350.438 2.334 20 5 FEBDLP C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000332383325 554435735 /nfs/dbraw/zinc/43/57/35/554435735.db2.gz HTTKZOSWXNAUJT-CQSZACIVSA-N 2 2 350.438 2.334 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000365829625 555677330 /nfs/dbraw/zinc/67/73/30/555677330.db2.gz XZAFNCPDPSXQLS-UHFFFAOYSA-N 2 2 354.326 2.374 20 5 FEBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368660734 556377122 /nfs/dbraw/zinc/37/71/22/556377122.db2.gz CUKCJGGIFSSOGU-KRWDZBQOSA-N 2 2 361.446 2.227 20 5 FEBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368660734 556377124 /nfs/dbraw/zinc/37/71/24/556377124.db2.gz CUKCJGGIFSSOGU-KRWDZBQOSA-N 2 2 361.446 2.227 20 5 FEBDLP O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000369019197 556478033 /nfs/dbraw/zinc/47/80/33/556478033.db2.gz WWDIHFKPNJTZMM-HNNXBMFYSA-N 2 2 353.386 2.209 20 5 FEBDLP O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000369019197 556478036 /nfs/dbraw/zinc/47/80/36/556478036.db2.gz WWDIHFKPNJTZMM-HNNXBMFYSA-N 2 2 353.386 2.209 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2C[C@@H](C3CC3)[N@H+](Cc3ccccc3)C2)c1 ZINC000377411490 558335593 /nfs/dbraw/zinc/33/55/93/558335593.db2.gz LNFKTIQLXISASP-HKUYNNGSSA-N 2 2 355.442 2.434 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2C[C@@H](C3CC3)[N@@H+](Cc3ccccc3)C2)c1 ZINC000377411490 558335594 /nfs/dbraw/zinc/33/55/94/558335594.db2.gz LNFKTIQLXISASP-HKUYNNGSSA-N 2 2 355.442 2.434 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420411952 559486547 /nfs/dbraw/zinc/48/65/47/559486547.db2.gz YVJBCSUJYJHYOU-XJKSGUPXSA-N 2 2 362.430 2.006 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420411952 559486548 /nfs/dbraw/zinc/48/65/48/559486548.db2.gz YVJBCSUJYJHYOU-XJKSGUPXSA-N 2 2 362.430 2.006 20 5 FEBDLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422640044 559599531 /nfs/dbraw/zinc/59/95/31/559599531.db2.gz UQZWQJBHOBFXRE-GRYCIOLGSA-N 2 2 354.838 2.492 20 5 FEBDLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422640044 559599532 /nfs/dbraw/zinc/59/95/32/559599532.db2.gz UQZWQJBHOBFXRE-GRYCIOLGSA-N 2 2 354.838 2.492 20 5 FEBDLP CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623052 559926682 /nfs/dbraw/zinc/92/66/82/559926682.db2.gz BNAMQXAZMMUQJT-ZDUSSCGKSA-N 2 2 350.419 2.006 20 5 FEBDLP CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623052 559926683 /nfs/dbraw/zinc/92/66/83/559926683.db2.gz BNAMQXAZMMUQJT-ZDUSSCGKSA-N 2 2 350.419 2.006 20 5 FEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nc2c1 ZINC000444601948 560116322 /nfs/dbraw/zinc/11/63/22/560116322.db2.gz GJSQJJODLFCGQX-UHFFFAOYSA-N 2 2 373.457 2.405 20 5 FEBDLP CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000448959268 560208784 /nfs/dbraw/zinc/20/87/84/560208784.db2.gz DTTZHYQRJDINIZ-HNNXBMFYSA-N 2 2 355.398 2.089 20 5 FEBDLP CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000448959268 560208785 /nfs/dbraw/zinc/20/87/85/560208785.db2.gz DTTZHYQRJDINIZ-HNNXBMFYSA-N 2 2 355.398 2.089 20 5 FEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000449234634 560221273 /nfs/dbraw/zinc/22/12/73/560221273.db2.gz QXZAHHNDBWUHAC-GOEBONIOSA-N 2 2 371.441 2.040 20 5 FEBDLP C[N@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000457172300 560554393 /nfs/dbraw/zinc/55/43/93/560554393.db2.gz UKKJUOBWHHOEJE-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP C[N@@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000457172300 560554394 /nfs/dbraw/zinc/55/43/94/560554394.db2.gz UKKJUOBWHHOEJE-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000535045394 562549433 /nfs/dbraw/zinc/54/94/33/562549433.db2.gz CELQHIIHAOTNRX-CYBMUJFWSA-N 2 2 371.397 2.116 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000535045394 562549434 /nfs/dbraw/zinc/54/94/34/562549434.db2.gz CELQHIIHAOTNRX-CYBMUJFWSA-N 2 2 371.397 2.116 20 5 FEBDLP CC(C)C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000074136764 542042525 /nfs/dbraw/zinc/04/25/25/542042525.db2.gz UPQCMUNMGPAJMI-OAHLLOKOSA-N 2 2 359.430 2.487 20 5 FEBDLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000076329550 542260840 /nfs/dbraw/zinc/26/08/40/542260840.db2.gz VEQNBTQAJMHKRB-UHFFFAOYSA-N 2 2 363.462 2.393 20 5 FEBDLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000076329550 542260845 /nfs/dbraw/zinc/26/08/45/542260845.db2.gz VEQNBTQAJMHKRB-UHFFFAOYSA-N 2 2 363.462 2.393 20 5 FEBDLP COc1ccc(-c2ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000131492798 544191809 /nfs/dbraw/zinc/19/18/09/544191809.db2.gz PSNBSPPNVLEUDV-SFHVURJKSA-N 2 2 363.414 2.266 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843825 326107912 /nfs/dbraw/zinc/10/79/12/326107912.db2.gz OJOGLGULLPDYFY-ZIAGYGMSSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843825 326107918 /nfs/dbraw/zinc/10/79/18/326107918.db2.gz OJOGLGULLPDYFY-ZIAGYGMSSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843825 326107919 /nfs/dbraw/zinc/10/79/19/326107919.db2.gz OJOGLGULLPDYFY-ZIAGYGMSSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843825 326107921 /nfs/dbraw/zinc/10/79/21/326107921.db2.gz OJOGLGULLPDYFY-ZIAGYGMSSA-N 2 2 364.446 2.204 20 5 FEBDLP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172619141 327211920 /nfs/dbraw/zinc/21/19/20/327211920.db2.gz QRLHOJNGJVEREI-ZFWWWQNUSA-N 2 2 357.414 2.335 20 5 FEBDLP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000172619141 327211922 /nfs/dbraw/zinc/21/19/22/327211922.db2.gz QRLHOJNGJVEREI-ZFWWWQNUSA-N 2 2 357.414 2.335 20 5 FEBDLP [NH3+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000155584544 545545424 /nfs/dbraw/zinc/54/54/24/545545424.db2.gz DEQKLCMEYIHPEC-OAHLLOKOSA-N 2 2 357.414 2.418 20 5 FEBDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611586 549174376 /nfs/dbraw/zinc/17/43/76/549174376.db2.gz PQUWCRPRGYSSIF-IRXDYDNUSA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611586 549174380 /nfs/dbraw/zinc/17/43/80/549174380.db2.gz PQUWCRPRGYSSIF-IRXDYDNUSA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611586 549174382 /nfs/dbraw/zinc/17/43/82/549174382.db2.gz PQUWCRPRGYSSIF-IRXDYDNUSA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611586 549174385 /nfs/dbraw/zinc/17/43/85/549174385.db2.gz PQUWCRPRGYSSIF-IRXDYDNUSA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000490630236 561436395 /nfs/dbraw/zinc/43/63/95/561436395.db2.gz JWCRXQOYUFMXGM-RHSMWYFYSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000490630236 561436396 /nfs/dbraw/zinc/43/63/96/561436396.db2.gz JWCRXQOYUFMXGM-RHSMWYFYSA-N 2 2 350.438 2.192 20 5 FEBDLP COCCN(C)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000289879306 552393275 /nfs/dbraw/zinc/39/32/75/552393275.db2.gz RXQMZURVDOIVSY-UHFFFAOYSA-N 2 2 359.430 2.038 20 5 FEBDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000291255060 552606870 /nfs/dbraw/zinc/60/68/70/552606870.db2.gz RSWPUNCQWKTHKZ-UHFFFAOYSA-N 2 2 365.430 2.111 20 5 FEBDLP COc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301845025 553685383 /nfs/dbraw/zinc/68/53/83/553685383.db2.gz LYIVLEVLASJJIA-FKEKPDDDSA-N 2 2 360.458 2.351 20 5 FEBDLP COc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301845025 553685386 /nfs/dbraw/zinc/68/53/86/553685386.db2.gz LYIVLEVLASJJIA-FKEKPDDDSA-N 2 2 360.458 2.351 20 5 FEBDLP CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367293283 556010144 /nfs/dbraw/zinc/01/01/44/556010144.db2.gz YPRHQCRBCGMWMS-INIZCTEOSA-N 2 2 350.438 2.334 20 5 FEBDLP CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367293283 556010148 /nfs/dbraw/zinc/01/01/48/556010148.db2.gz YPRHQCRBCGMWMS-INIZCTEOSA-N 2 2 350.438 2.334 20 5 FEBDLP CC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607768 557519375 /nfs/dbraw/zinc/51/93/75/557519375.db2.gz VZINXZOJSFMUNX-QGZVFWFLSA-N 2 2 360.458 2.402 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777576 562143697 /nfs/dbraw/zinc/14/36/97/562143697.db2.gz VWENNSURUXWWBR-YPMHNXCESA-N 2 2 371.384 2.289 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777576 562143698 /nfs/dbraw/zinc/14/36/98/562143698.db2.gz VWENNSURUXWWBR-YPMHNXCESA-N 2 2 371.384 2.289 20 5 FEBDLP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414881837 559192732 /nfs/dbraw/zinc/19/27/32/559192732.db2.gz AXOQMPRNWDGHFO-NSHDSACASA-N 2 2 363.336 2.371 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435612993 559926235 /nfs/dbraw/zinc/92/62/35/559926235.db2.gz ABOHNBSCAOGYBL-CYBMUJFWSA-N 2 2 350.419 2.006 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435612993 559926236 /nfs/dbraw/zinc/92/62/36/559926236.db2.gz ABOHNBSCAOGYBL-CYBMUJFWSA-N 2 2 350.419 2.006 20 5 FEBDLP CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000448973293 560209832 /nfs/dbraw/zinc/20/98/32/560209832.db2.gz ZWEYMIZYSXCINH-OAHLLOKOSA-N 2 2 359.430 2.487 20 5 FEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000449234729 560221352 /nfs/dbraw/zinc/22/13/52/560221352.db2.gz QXZAHHNDBWUHAC-ZBFHGGJFSA-N 2 2 371.441 2.040 20 5 FEBDLP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC000450146949 560252192 /nfs/dbraw/zinc/25/21/92/560252192.db2.gz MJONSJUMEMHXSJ-JKSUJKDBSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC000450146949 560252193 /nfs/dbraw/zinc/25/21/93/560252193.db2.gz MJONSJUMEMHXSJ-JKSUJKDBSA-N 2 2 369.425 2.337 20 5 FEBDLP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456360500 560517202 /nfs/dbraw/zinc/51/72/02/560517202.db2.gz VJGDWZUURKNLAG-HNNXBMFYSA-N 2 2 357.414 2.337 20 5 FEBDLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456360500 560517203 /nfs/dbraw/zinc/51/72/03/560517203.db2.gz VJGDWZUURKNLAG-HNNXBMFYSA-N 2 2 357.414 2.337 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000466992935 560901046 /nfs/dbraw/zinc/90/10/46/560901046.db2.gz SWVXAIMJWUDMFE-UHFFFAOYSA-N 2 2 372.425 2.393 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000466992935 560901047 /nfs/dbraw/zinc/90/10/47/560901047.db2.gz SWVXAIMJWUDMFE-UHFFFAOYSA-N 2 2 372.425 2.393 20 5 FEBDLP CC[NH+](CC)CC(=O)N1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170171 560976000 /nfs/dbraw/zinc/97/60/00/560976000.db2.gz POZJDUDZPHCHKL-LGMDPLHJSA-N 2 2 374.485 2.484 20 5 FEBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262112429 672909310 /nfs/dbraw/zinc/90/93/10/672909310.db2.gz WORKGGGBTIKGIT-AWEZNQCLSA-N 2 2 354.838 2.068 20 5 FEBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262112429 672909315 /nfs/dbraw/zinc/90/93/15/672909315.db2.gz WORKGGGBTIKGIT-AWEZNQCLSA-N 2 2 354.838 2.068 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000595340355 673227860 /nfs/dbraw/zinc/22/78/60/673227860.db2.gz RWXANEWXSAPIAI-QGZVFWFLSA-N 2 2 350.438 2.334 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000595340355 673227866 /nfs/dbraw/zinc/22/78/66/673227866.db2.gz RWXANEWXSAPIAI-QGZVFWFLSA-N 2 2 350.438 2.334 20 5 FEBDLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000732569687 673372465 /nfs/dbraw/zinc/37/24/65/673372465.db2.gz VYJDQCPQWOZIRA-UHFFFAOYSA-N 2 2 354.838 2.460 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000859337704 683086755 /nfs/dbraw/zinc/08/67/55/683086755.db2.gz NVTHNTZHYNOQGX-LBPRGKRZSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000859337704 683086757 /nfs/dbraw/zinc/08/67/57/683086757.db2.gz NVTHNTZHYNOQGX-LBPRGKRZSA-N 2 2 366.849 2.147 20 5 FEBDLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000050802900 540415250 /nfs/dbraw/zinc/41/52/50/540415250.db2.gz KGSNATGDXCDLSV-UHFFFAOYSA-N 2 2 360.458 2.192 20 5 FEBDLP CCC[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000074073618 542034582 /nfs/dbraw/zinc/03/45/82/542034582.db2.gz UKIJVWGXQSPCNC-UHFFFAOYSA-N 2 2 357.414 2.338 20 5 FEBDLP CCC[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000074073618 542034586 /nfs/dbraw/zinc/03/45/86/542034586.db2.gz UKIJVWGXQSPCNC-UHFFFAOYSA-N 2 2 357.414 2.338 20 5 FEBDLP COc1ccc(NC(=O)CC[NH+]2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000109792451 543339403 /nfs/dbraw/zinc/33/94/03/543339403.db2.gz VGRLTFLYIRVZCB-UHFFFAOYSA-N 2 2 373.413 2.466 20 5 FEBDLP COc1ccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000109792625 543339513 /nfs/dbraw/zinc/33/95/13/543339513.db2.gz KXOBCJDCSFVNNH-UHFFFAOYSA-N 2 2 359.386 2.076 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000112921556 543468883 /nfs/dbraw/zinc/46/88/83/543468883.db2.gz BHJIMYIFYFYQID-CMDGGOBGSA-N 2 2 360.458 2.092 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000112921556 543468884 /nfs/dbraw/zinc/46/88/84/543468884.db2.gz BHJIMYIFYFYQID-CMDGGOBGSA-N 2 2 360.458 2.092 20 5 FEBDLP CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000163264482 327047268 /nfs/dbraw/zinc/04/72/68/327047268.db2.gz FTQLFSWLMVLTPQ-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000483212821 561270662 /nfs/dbraw/zinc/27/06/62/561270662.db2.gz SPRXQEYDBUKXBQ-UHFFFAOYSA-N 2 2 358.398 2.329 20 5 FEBDLP C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713778 548024106 /nfs/dbraw/zinc/02/41/06/548024106.db2.gz CGMHOIPNDCUPHO-CJNGLKHVSA-N 2 2 360.458 2.436 20 5 FEBDLP C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713778 548024108 /nfs/dbraw/zinc/02/41/08/548024108.db2.gz CGMHOIPNDCUPHO-CJNGLKHVSA-N 2 2 360.458 2.436 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000194473695 548487637 /nfs/dbraw/zinc/48/76/37/548487637.db2.gz FKKFUYJEAIOHKN-ZDUSSCGKSA-N 2 2 364.402 2.094 20 5 FEBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cs2)c1 ZINC000490028306 561424710 /nfs/dbraw/zinc/42/47/10/561424710.db2.gz GXGVFRLGIBFKMB-KRWDZBQOSA-N 2 2 373.482 2.198 20 5 FEBDLP C[NH2+]CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000262019624 549780420 /nfs/dbraw/zinc/78/04/20/549780420.db2.gz ILBNZTWCMUXOQU-UHFFFAOYSA-N 2 2 357.414 2.242 20 5 FEBDLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287982334 552070775 /nfs/dbraw/zinc/07/07/75/552070775.db2.gz APHCXOAFHHURLN-HOCLYGCPSA-N 2 2 369.425 2.479 20 5 FEBDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706828 552848885 /nfs/dbraw/zinc/84/88/85/552848885.db2.gz LRKNROJAIOEZDJ-KBXCAEBGSA-N 2 2 370.453 2.247 20 5 FEBDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706828 552848886 /nfs/dbraw/zinc/84/88/86/552848886.db2.gz LRKNROJAIOEZDJ-KBXCAEBGSA-N 2 2 370.453 2.247 20 5 FEBDLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000331539946 554282572 /nfs/dbraw/zinc/28/25/72/554282572.db2.gz FQACLKCWBBPESV-FMKPAKJESA-N 2 2 353.492 2.302 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066181 554373116 /nfs/dbraw/zinc/37/31/16/554373116.db2.gz RXYOUINKONYEKF-HOCLYGCPSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066181 554373117 /nfs/dbraw/zinc/37/31/17/554373117.db2.gz RXYOUINKONYEKF-HOCLYGCPSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066181 554373119 /nfs/dbraw/zinc/37/31/19/554373119.db2.gz RXYOUINKONYEKF-HOCLYGCPSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066181 554373121 /nfs/dbraw/zinc/37/31/21/554373121.db2.gz RXYOUINKONYEKF-HOCLYGCPSA-N 2 2 360.458 2.289 20 5 FEBDLP CCOc1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000365190194 555506280 /nfs/dbraw/zinc/50/62/80/555506280.db2.gz FVXIQGLSKXERAQ-KRWDZBQOSA-N 2 2 362.474 2.205 20 5 FEBDLP CCOc1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000365190194 555506283 /nfs/dbraw/zinc/50/62/83/555506283.db2.gz FVXIQGLSKXERAQ-KRWDZBQOSA-N 2 2 362.474 2.205 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371244683 557117640 /nfs/dbraw/zinc/11/76/40/557117640.db2.gz PPRQJHRDOWBKEF-INIZCTEOSA-N 2 2 369.425 2.385 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371244684 557117789 /nfs/dbraw/zinc/11/77/89/557117789.db2.gz PPRQJHRDOWBKEF-MRXNPFEDSA-N 2 2 369.425 2.385 20 5 FEBDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000372092320 557378335 /nfs/dbraw/zinc/37/83/35/557378335.db2.gz RDXLSWSGZAQYNL-MAUKXSAKSA-N 2 2 363.458 2.283 20 5 FEBDLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000372092320 557378338 /nfs/dbraw/zinc/37/83/38/557378338.db2.gz RDXLSWSGZAQYNL-MAUKXSAKSA-N 2 2 363.458 2.283 20 5 FEBDLP Cc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000377258632 558300258 /nfs/dbraw/zinc/30/02/58/558300258.db2.gz SUQVOYGUOKPHEN-HNNXBMFYSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000377258632 558300261 /nfs/dbraw/zinc/30/02/61/558300261.db2.gz SUQVOYGUOKPHEN-HNNXBMFYSA-N 2 2 360.458 2.144 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000377264837 558301718 /nfs/dbraw/zinc/30/17/18/558301718.db2.gz BLGLMFMJWDEOIT-OAHLLOKOSA-N 2 2 369.425 2.097 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000377264837 558301719 /nfs/dbraw/zinc/30/17/19/558301719.db2.gz BLGLMFMJWDEOIT-OAHLLOKOSA-N 2 2 369.425 2.097 20 5 FEBDLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945430 562238077 /nfs/dbraw/zinc/23/80/77/562238077.db2.gz VJJZRYWSAUYPJK-HXUWFJFHSA-N 2 2 371.437 2.330 20 5 FEBDLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945430 562238078 /nfs/dbraw/zinc/23/80/78/562238078.db2.gz VJJZRYWSAUYPJK-HXUWFJFHSA-N 2 2 371.437 2.330 20 5 FEBDLP Cn1cc[nH+]c1[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489412 559630120 /nfs/dbraw/zinc/63/01/20/559630120.db2.gz WLQJUHZBYJXOGE-KBPBESRZSA-N 2 2 351.357 2.005 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430596884 559824071 /nfs/dbraw/zinc/82/40/71/559824071.db2.gz XYIVAMXKQCSQNI-DOMZBBRYSA-N 2 2 350.419 2.134 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430596884 559824072 /nfs/dbraw/zinc/82/40/72/559824072.db2.gz XYIVAMXKQCSQNI-DOMZBBRYSA-N 2 2 350.419 2.134 20 5 FEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000449110581 560216102 /nfs/dbraw/zinc/21/61/02/560216102.db2.gz DZVXJCUYNWPTFN-CRAIPNDOSA-N 2 2 362.474 2.058 20 5 FEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000449110581 560216103 /nfs/dbraw/zinc/21/61/03/560216103.db2.gz DZVXJCUYNWPTFN-CRAIPNDOSA-N 2 2 362.474 2.058 20 5 FEBDLP CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457065501 560546550 /nfs/dbraw/zinc/54/65/50/560546550.db2.gz XKOPEKLYVQUWNK-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP CC1(C)CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457065501 560546551 /nfs/dbraw/zinc/54/65/51/560546551.db2.gz XKOPEKLYVQUWNK-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312124 562555651 /nfs/dbraw/zinc/55/56/51/562555651.db2.gz CDWWTBPWKLVHGL-STQMWFEESA-N 2 2 373.413 2.153 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312124 562555652 /nfs/dbraw/zinc/55/56/52/562555652.db2.gz CDWWTBPWKLVHGL-STQMWFEESA-N 2 2 373.413 2.153 20 5 FEBDLP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000541228008 562606571 /nfs/dbraw/zinc/60/65/71/562606571.db2.gz CRHPKOWRJSNLGJ-BBRMVZONSA-N 2 2 357.414 2.170 20 5 FEBDLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000843354370 680999246 /nfs/dbraw/zinc/99/92/46/680999246.db2.gz BWKICIUEVFSPHD-UHFFFAOYSA-N 2 2 370.837 2.017 20 5 FEBDLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000177447564 327522871 /nfs/dbraw/zinc/52/28/71/327522871.db2.gz KYULAVRWZZRKMH-GJZGRUSLSA-N 2 2 357.414 2.383 20 5 FEBDLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267449746 329328522 /nfs/dbraw/zinc/32/85/22/329328522.db2.gz RCFJNMWEFBGJLF-CQSZACIVSA-N 2 2 355.398 2.087 20 5 FEBDLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267449746 329328523 /nfs/dbraw/zinc/32/85/23/329328523.db2.gz RCFJNMWEFBGJLF-CQSZACIVSA-N 2 2 355.398 2.087 20 5 FEBDLP C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490630228 561436374 /nfs/dbraw/zinc/43/63/74/561436374.db2.gz JWCRXQOYUFMXGM-PBHICJAKSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490630228 561436375 /nfs/dbraw/zinc/43/63/75/561436375.db2.gz JWCRXQOYUFMXGM-PBHICJAKSA-N 2 2 350.438 2.192 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263809758 549940440 /nfs/dbraw/zinc/94/04/40/549940440.db2.gz MXGXPTSMVDJAPY-MRXNPFEDSA-N 2 2 369.425 2.481 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362080670 554948588 /nfs/dbraw/zinc/94/85/88/554948588.db2.gz SZWXFCDVFWVRHJ-CRAIPNDOSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362080670 554948586 /nfs/dbraw/zinc/94/85/86/554948586.db2.gz SZWXFCDVFWVRHJ-CRAIPNDOSA-N 2 2 362.474 2.061 20 5 FEBDLP [NH3+]CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000516927395 562065358 /nfs/dbraw/zinc/06/53/58/562065358.db2.gz LGVUAFVQOVJTFD-UHFFFAOYSA-N 2 2 369.487 2.210 20 5 FEBDLP [NH3+]CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000516927395 562065359 /nfs/dbraw/zinc/06/53/59/562065359.db2.gz LGVUAFVQOVJTFD-UHFFFAOYSA-N 2 2 369.487 2.210 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568033 559822941 /nfs/dbraw/zinc/82/29/41/559822941.db2.gz BXBIOWHCLKJSNG-GXTWGEPZSA-N 2 2 352.435 2.236 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568033 559822942 /nfs/dbraw/zinc/82/29/42/559822942.db2.gz BXBIOWHCLKJSNG-GXTWGEPZSA-N 2 2 352.435 2.236 20 5 FEBDLP CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000430635609 559825290 /nfs/dbraw/zinc/82/52/90/559825290.db2.gz VUVGLLMMSHWIIJ-INIZCTEOSA-N 2 2 357.414 2.289 20 5 FEBDLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435390619 559921992 /nfs/dbraw/zinc/92/19/92/559921992.db2.gz SKNSVPPOUIWWBN-NSHDSACASA-N 2 2 359.373 2.418 20 5 FEBDLP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435390619 559921993 /nfs/dbraw/zinc/92/19/93/559921993.db2.gz SKNSVPPOUIWWBN-NSHDSACASA-N 2 2 359.373 2.418 20 5 FEBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450062191 560249595 /nfs/dbraw/zinc/24/95/95/560249595.db2.gz OJZKQCIVHSRLSI-CVEARBPZSA-N 2 2 369.425 2.479 20 5 FEBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450062191 560249596 /nfs/dbraw/zinc/24/95/96/560249596.db2.gz OJZKQCIVHSRLSI-CVEARBPZSA-N 2 2 369.425 2.479 20 5 FEBDLP COc1ccc(OCC[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000872151243 684922992 /nfs/dbraw/zinc/92/29/92/684922992.db2.gz JZDGGXNKYFNGTA-CMPLNLGQSA-N 2 2 363.336 2.051 20 5 FEBDLP COc1ccc(OCC[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000872151243 684922995 /nfs/dbraw/zinc/92/29/95/684922995.db2.gz JZDGGXNKYFNGTA-CMPLNLGQSA-N 2 2 363.336 2.051 20 5 FEBDLP Cc1[nH+]ccn1CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000080374891 542586801 /nfs/dbraw/zinc/58/68/01/542586801.db2.gz YEBBPNGGWPXLMA-UHFFFAOYSA-N 2 2 354.370 2.106 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793986 543339141 /nfs/dbraw/zinc/33/91/41/543339141.db2.gz ZWDVQAFBJKREED-CYBMUJFWSA-N 2 2 373.413 2.464 20 5 FEBDLP O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000125234114 543869790 /nfs/dbraw/zinc/86/97/90/543869790.db2.gz FGQGNNUQMDOSBN-UHFFFAOYSA-N 2 2 366.381 2.362 20 5 FEBDLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000119594496 326178854 /nfs/dbraw/zinc/17/88/54/326178854.db2.gz UAQKPMXLEGGJLA-HNNXBMFYSA-N 2 2 371.441 2.488 20 5 FEBDLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000119594496 326178856 /nfs/dbraw/zinc/17/88/56/326178856.db2.gz UAQKPMXLEGGJLA-HNNXBMFYSA-N 2 2 371.441 2.488 20 5 FEBDLP CN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000171387930 327136317 /nfs/dbraw/zinc/13/63/17/327136317.db2.gz GCITVUDUDZRTRC-UHFFFAOYSA-N 2 2 360.458 2.365 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000172237941 327188774 /nfs/dbraw/zinc/18/87/74/327188774.db2.gz DFHYBUMFEPIALA-INIZCTEOSA-N 2 2 352.866 2.460 20 5 FEBDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000267380767 329321266 /nfs/dbraw/zinc/32/12/66/329321266.db2.gz URELKFCQNYXSAI-UHFFFAOYSA-N 2 2 369.853 2.396 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181094579 547248626 /nfs/dbraw/zinc/24/86/26/547248626.db2.gz SXQTXQKHMNTEEW-CYBMUJFWSA-N 2 2 361.402 2.149 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181094579 547248630 /nfs/dbraw/zinc/24/86/30/547248630.db2.gz SXQTXQKHMNTEEW-CYBMUJFWSA-N 2 2 361.402 2.149 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330628 549320312 /nfs/dbraw/zinc/32/03/12/549320312.db2.gz YNYISEFPSMYXRS-WMLDXEAASA-N 2 2 360.458 2.146 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330628 549320317 /nfs/dbraw/zinc/32/03/17/549320317.db2.gz YNYISEFPSMYXRS-WMLDXEAASA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330628 549320322 /nfs/dbraw/zinc/32/03/22/549320322.db2.gz YNYISEFPSMYXRS-WMLDXEAASA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330628 549320327 /nfs/dbraw/zinc/32/03/27/549320327.db2.gz YNYISEFPSMYXRS-WMLDXEAASA-N 2 2 360.458 2.146 20 5 FEBDLP Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489943239 561422901 /nfs/dbraw/zinc/42/29/01/561422901.db2.gz ZUACMPSRLVFUIZ-CQSZACIVSA-N 2 2 350.382 2.406 20 5 FEBDLP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000268844993 550122462 /nfs/dbraw/zinc/12/24/62/550122462.db2.gz NPWJZQDFHDLEFU-YJBOKZPZSA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000268844993 550122463 /nfs/dbraw/zinc/12/24/63/550122463.db2.gz NPWJZQDFHDLEFU-YJBOKZPZSA-N 2 2 362.474 2.497 20 5 FEBDLP CCOc1cc(N2CC[NH+](CCn3cc[nH+]c3C)CC2)ccc1[N+](=O)[O-] ZINC000280203407 550970922 /nfs/dbraw/zinc/97/09/22/550970922.db2.gz JEJGAQJFDHHEJR-UHFFFAOYSA-N 2 2 359.430 2.321 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000295445115 553007882 /nfs/dbraw/zinc/00/78/82/553007882.db2.gz GTFNRAHOWGUNBM-UHFFFAOYSA-N 2 2 358.446 2.442 20 5 FEBDLP C[NH+](C)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000509931105 561818967 /nfs/dbraw/zinc/81/89/67/561818967.db2.gz PZJRVMWMNQADRL-UHFFFAOYSA-N 2 2 357.414 2.194 20 5 FEBDLP C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367454127 556054423 /nfs/dbraw/zinc/05/44/23/556054423.db2.gz LXRQPQKLNFPLBX-KXPUMZMLSA-N 2 2 372.469 2.235 20 5 FEBDLP C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367454127 556054424 /nfs/dbraw/zinc/05/44/24/556054424.db2.gz LXRQPQKLNFPLBX-KXPUMZMLSA-N 2 2 372.469 2.235 20 5 FEBDLP COc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000374255141 557851744 /nfs/dbraw/zinc/85/17/44/557851744.db2.gz IOHZQPBPRKVNGC-CYBMUJFWSA-N 2 2 366.437 2.347 20 5 FEBDLP COc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000374255141 557851746 /nfs/dbraw/zinc/85/17/46/557851746.db2.gz IOHZQPBPRKVNGC-CYBMUJFWSA-N 2 2 366.437 2.347 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378422050 558553426 /nfs/dbraw/zinc/55/34/26/558553426.db2.gz AKKYXVWCWKEUGX-SFHVURJKSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378422050 558553428 /nfs/dbraw/zinc/55/34/28/558553428.db2.gz AKKYXVWCWKEUGX-SFHVURJKSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378422050 558553430 /nfs/dbraw/zinc/55/34/30/558553430.db2.gz AKKYXVWCWKEUGX-SFHVURJKSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378422050 558553432 /nfs/dbraw/zinc/55/34/32/558553432.db2.gz AKKYXVWCWKEUGX-SFHVURJKSA-N 2 2 362.474 2.204 20 5 FEBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307770 559356763 /nfs/dbraw/zinc/35/67/63/559356763.db2.gz HGNSSBISLWQVJY-ROUUACIJSA-N 2 2 360.458 2.292 20 5 FEBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307770 559356764 /nfs/dbraw/zinc/35/67/64/559356764.db2.gz HGNSSBISLWQVJY-ROUUACIJSA-N 2 2 360.458 2.292 20 5 FEBDLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000420322811 559480339 /nfs/dbraw/zinc/48/03/39/559480339.db2.gz SMHIULDAGVXSML-KRWDZBQOSA-N 2 2 370.453 2.468 20 5 FEBDLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420368481 559483592 /nfs/dbraw/zinc/48/35/92/559483592.db2.gz ATFXIJDVZHKZFZ-CQSZACIVSA-N 2 2 350.810 2.136 20 5 FEBDLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420368481 559483593 /nfs/dbraw/zinc/48/35/93/559483593.db2.gz ATFXIJDVZHKZFZ-CQSZACIVSA-N 2 2 350.810 2.136 20 5 FEBDLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422640047 559599478 /nfs/dbraw/zinc/59/94/78/559599478.db2.gz UQZWQJBHOBFXRE-WOPDTQHZSA-N 2 2 354.838 2.492 20 5 FEBDLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422640047 559599479 /nfs/dbraw/zinc/59/94/79/559599479.db2.gz UQZWQJBHOBFXRE-WOPDTQHZSA-N 2 2 354.838 2.492 20 5 FEBDLP CC(C)([NH3+])c1noc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000431073517 559833531 /nfs/dbraw/zinc/83/35/31/559833531.db2.gz KPFLOGBYJKRTIX-UHFFFAOYSA-N 2 2 361.402 2.215 20 5 FEBDLP CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC[NH2+]CC1 ZINC000431089996 559833832 /nfs/dbraw/zinc/83/38/32/559833832.db2.gz XDPHKQSCHCWJCE-UHFFFAOYSA-N 2 2 350.419 2.006 20 5 FEBDLP CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC[NH2+]CC1 ZINC000431089996 559833833 /nfs/dbraw/zinc/83/38/33/559833833.db2.gz XDPHKQSCHCWJCE-UHFFFAOYSA-N 2 2 350.419 2.006 20 5 FEBDLP O=C(CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000431608574 559842464 /nfs/dbraw/zinc/84/24/64/559842464.db2.gz KOYITJCUGNGRNQ-KRWDZBQOSA-N 2 2 356.382 2.472 20 5 FEBDLP CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448878366 560204508 /nfs/dbraw/zinc/20/45/08/560204508.db2.gz PSYXTFSDXHGUHI-UHFFFAOYSA-N 2 2 357.414 2.337 20 5 FEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000449234633 560221259 /nfs/dbraw/zinc/22/12/59/560221259.db2.gz QXZAHHNDBWUHAC-GDBMZVCRSA-N 2 2 371.441 2.040 20 5 FEBDLP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000450314877 560258143 /nfs/dbraw/zinc/25/81/43/560258143.db2.gz CJSVZBATSIUVPT-KGLIPLIRSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000450314877 560258144 /nfs/dbraw/zinc/25/81/44/560258144.db2.gz CJSVZBATSIUVPT-KGLIPLIRSA-N 2 2 357.414 2.335 20 5 FEBDLP C[N@@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)CC2 ZINC000450377038 560260555 /nfs/dbraw/zinc/26/05/55/560260555.db2.gz ICJMEPXVIHPFIU-UHFFFAOYSA-N 2 2 369.425 2.481 20 5 FEBDLP C[N@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)CC2 ZINC000450377038 560260556 /nfs/dbraw/zinc/26/05/56/560260556.db2.gz ICJMEPXVIHPFIU-UHFFFAOYSA-N 2 2 369.425 2.481 20 5 FEBDLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000457082888 560547603 /nfs/dbraw/zinc/54/76/03/560547603.db2.gz FNWFBZJXMFVXPL-OAHLLOKOSA-N 2 2 357.414 2.335 20 5 FEBDLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000457082888 560547604 /nfs/dbraw/zinc/54/76/04/560547604.db2.gz FNWFBZJXMFVXPL-OAHLLOKOSA-N 2 2 357.414 2.335 20 5 FEBDLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000602019481 673901318 /nfs/dbraw/zinc/90/13/18/673901318.db2.gz DXOZKFLGYSLNII-ZYHUDNBSSA-N 2 2 359.373 2.274 20 5 FEBDLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000602019481 673901320 /nfs/dbraw/zinc/90/13/20/673901320.db2.gz DXOZKFLGYSLNII-ZYHUDNBSSA-N 2 2 359.373 2.274 20 5 FEBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000912386748 685364225 /nfs/dbraw/zinc/36/42/25/685364225.db2.gz IOTFCPQYLVKTDQ-UHFFFAOYSA-N 2 2 360.817 2.001 20 5 FEBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000912386748 685364234 /nfs/dbraw/zinc/36/42/34/685364234.db2.gz IOTFCPQYLVKTDQ-UHFFFAOYSA-N 2 2 360.817 2.001 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045083394 540203307 /nfs/dbraw/zinc/20/33/07/540203307.db2.gz SPUQWQDQFUMLHY-UHFFFAOYSA-N 2 2 369.425 2.481 20 5 FEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247439784 549333998 /nfs/dbraw/zinc/33/39/98/549333998.db2.gz WNOGLJFNWWAWGF-DOTOQJQBSA-N 2 2 374.441 2.023 20 5 FEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247439784 549334003 /nfs/dbraw/zinc/33/40/03/549334003.db2.gz WNOGLJFNWWAWGF-DOTOQJQBSA-N 2 2 374.441 2.023 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247447557 549334422 /nfs/dbraw/zinc/33/44/22/549334422.db2.gz JBMPRKIIJIYACB-CZUORRHYSA-N 2 2 373.413 2.322 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247447557 549334424 /nfs/dbraw/zinc/33/44/24/549334424.db2.gz JBMPRKIIJIYACB-CZUORRHYSA-N 2 2 373.413 2.322 20 5 FEBDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751218 543336015 /nfs/dbraw/zinc/33/60/15/543336015.db2.gz UONASYNDYQMCIK-SFHVURJKSA-N 2 2 362.474 2.076 20 5 FEBDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751218 543336020 /nfs/dbraw/zinc/33/60/20/543336020.db2.gz UONASYNDYQMCIK-SFHVURJKSA-N 2 2 362.474 2.076 20 5 FEBDLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000153931083 544842155 /nfs/dbraw/zinc/84/21/55/544842155.db2.gz HGMSTBBNAUWJBS-QGZVFWFLSA-N 2 2 357.414 2.193 20 5 FEBDLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000153931083 544842158 /nfs/dbraw/zinc/84/21/58/544842158.db2.gz HGMSTBBNAUWJBS-QGZVFWFLSA-N 2 2 357.414 2.193 20 5 FEBDLP C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000118842887 326107717 /nfs/dbraw/zinc/10/77/17/326107717.db2.gz KVAHPRHGAYZBJG-GFCCVEGCSA-N 2 2 354.838 2.460 20 5 FEBDLP C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000118842887 326107720 /nfs/dbraw/zinc/10/77/20/326107720.db2.gz KVAHPRHGAYZBJG-GFCCVEGCSA-N 2 2 354.838 2.460 20 5 FEBDLP C[NH+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842887 326107722 /nfs/dbraw/zinc/10/77/22/326107722.db2.gz KVAHPRHGAYZBJG-GFCCVEGCSA-N 2 2 354.838 2.460 20 5 FEBDLP C[NH+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842887 326107725 /nfs/dbraw/zinc/10/77/25/326107725.db2.gz KVAHPRHGAYZBJG-GFCCVEGCSA-N 2 2 354.838 2.460 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000162589675 327029168 /nfs/dbraw/zinc/02/91/68/327029168.db2.gz HPWSWLKDKHAUON-UHFFFAOYSA-N 2 2 363.462 2.393 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162589675 327029169 /nfs/dbraw/zinc/02/91/69/327029169.db2.gz HPWSWLKDKHAUON-UHFFFAOYSA-N 2 2 363.462 2.393 20 5 FEBDLP C[NH+]1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000172755161 327217191 /nfs/dbraw/zinc/21/71/91/327217191.db2.gz GLQLNDOUGUDZGA-UHFFFAOYSA-N 2 2 360.458 2.275 20 5 FEBDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000266077964 329188092 /nfs/dbraw/zinc/18/80/92/329188092.db2.gz DBWLVOJQPKOYAI-LBPRGKRZSA-N 2 2 350.419 2.004 20 5 FEBDLP C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156547869 545635031 /nfs/dbraw/zinc/63/50/31/545635031.db2.gz SGAHHYFCFUHKHK-ZVZYQTTQSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156547869 545635033 /nfs/dbraw/zinc/63/50/33/545635033.db2.gz SGAHHYFCFUHKHK-ZVZYQTTQSA-N 2 2 360.414 2.114 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176490027 546453743 /nfs/dbraw/zinc/45/37/43/546453743.db2.gz JFWMKWNTLXBGPR-UHFFFAOYSA-N 2 2 368.865 2.346 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176490027 546453746 /nfs/dbraw/zinc/45/37/46/546453746.db2.gz JFWMKWNTLXBGPR-UHFFFAOYSA-N 2 2 368.865 2.346 20 5 FEBDLP C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000245686944 548975267 /nfs/dbraw/zinc/97/52/67/548975267.db2.gz PTDMCJOSZCHPPT-KBXCAEBGSA-N 2 2 369.425 2.264 20 5 FEBDLP C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000245686944 548975270 /nfs/dbraw/zinc/97/52/70/548975270.db2.gz PTDMCJOSZCHPPT-KBXCAEBGSA-N 2 2 369.425 2.264 20 5 FEBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000246890506 549236819 /nfs/dbraw/zinc/23/68/19/549236819.db2.gz MANYGCVNZMMOLW-JLSDUUJJSA-N 2 2 358.442 2.116 20 5 FEBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000246890506 549236825 /nfs/dbraw/zinc/23/68/25/549236825.db2.gz MANYGCVNZMMOLW-JLSDUUJJSA-N 2 2 358.442 2.116 20 5 FEBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000246890506 549236831 /nfs/dbraw/zinc/23/68/31/549236831.db2.gz MANYGCVNZMMOLW-JLSDUUJJSA-N 2 2 358.442 2.116 20 5 FEBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000246890506 549236837 /nfs/dbraw/zinc/23/68/37/549236837.db2.gz MANYGCVNZMMOLW-JLSDUUJJSA-N 2 2 358.442 2.116 20 5 FEBDLP C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247315914 549316220 /nfs/dbraw/zinc/31/62/20/549316220.db2.gz RRCYKHQFGYOPAK-RHSMWYFYSA-N 2 2 357.414 2.337 20 5 FEBDLP C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247315914 549316224 /nfs/dbraw/zinc/31/62/24/549316224.db2.gz RRCYKHQFGYOPAK-RHSMWYFYSA-N 2 2 357.414 2.337 20 5 FEBDLP C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000248452841 549440806 /nfs/dbraw/zinc/44/08/06/549440806.db2.gz JUQJNNLSBQFNIE-HLLBOEOZSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000248452841 549440809 /nfs/dbraw/zinc/44/08/09/549440809.db2.gz JUQJNNLSBQFNIE-HLLBOEOZSA-N 2 2 360.414 2.114 20 5 FEBDLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000252656436 549675802 /nfs/dbraw/zinc/67/58/02/549675802.db2.gz GJSCUXJNEYMIQI-HOTGVXAUSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000252656436 549675805 /nfs/dbraw/zinc/67/58/05/549675805.db2.gz GJSCUXJNEYMIQI-HOTGVXAUSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285492925 551764985 /nfs/dbraw/zinc/76/49/85/551764985.db2.gz MCZJQLNMTRFALL-FKEKPDDDSA-N 2 2 358.442 2.041 20 5 FEBDLP C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285492925 551764987 /nfs/dbraw/zinc/76/49/87/551764987.db2.gz MCZJQLNMTRFALL-FKEKPDDDSA-N 2 2 358.442 2.041 20 5 FEBDLP C[NH+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285492925 551764989 /nfs/dbraw/zinc/76/49/89/551764989.db2.gz MCZJQLNMTRFALL-FKEKPDDDSA-N 2 2 358.442 2.041 20 5 FEBDLP C[NH+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285492925 551764991 /nfs/dbraw/zinc/76/49/91/551764991.db2.gz MCZJQLNMTRFALL-FKEKPDDDSA-N 2 2 358.442 2.041 20 5 FEBDLP C[C@H](Cn1cc[nH+]c1)Nc1nc(N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000290532952 552493819 /nfs/dbraw/zinc/49/38/19/552493819.db2.gz OIXKSBHHHQROQP-UONOGXRCSA-N 2 2 370.417 2.384 20 5 FEBDLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298981868 553498678 /nfs/dbraw/zinc/49/86/78/553498678.db2.gz HLXYHVPFYFBCHK-LSDHHAIUSA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298981868 553498680 /nfs/dbraw/zinc/49/86/80/553498680.db2.gz HLXYHVPFYFBCHK-LSDHHAIUSA-N 2 2 355.398 2.137 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299038539 553506967 /nfs/dbraw/zinc/50/69/67/553506967.db2.gz FUAPRAMLTIFZOE-UHFFFAOYSA-N 2 2 373.457 2.174 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299038539 553506968 /nfs/dbraw/zinc/50/69/68/553506968.db2.gz FUAPRAMLTIFZOE-UHFFFAOYSA-N 2 2 373.457 2.174 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000365639018 555628922 /nfs/dbraw/zinc/62/89/22/555628922.db2.gz PBDWLWOBCZDBBM-OAHLLOKOSA-N 2 2 369.425 2.097 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000365639018 555628925 /nfs/dbraw/zinc/62/89/25/555628925.db2.gz PBDWLWOBCZDBBM-OAHLLOKOSA-N 2 2 369.425 2.097 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000365648853 555631356 /nfs/dbraw/zinc/63/13/56/555631356.db2.gz LGGOYJKYNPXDEU-ZDUSSCGKSA-N 2 2 373.413 2.155 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000365648853 555631358 /nfs/dbraw/zinc/63/13/58/555631358.db2.gz LGGOYJKYNPXDEU-ZDUSSCGKSA-N 2 2 373.413 2.155 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@H](C)C2)s1 ZINC000368963714 556460883 /nfs/dbraw/zinc/46/08/83/556460883.db2.gz CDXMSCGNDYTNDF-MLGOLLRUSA-N 2 2 364.475 2.056 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@H](C)C2)s1 ZINC000368963714 556460885 /nfs/dbraw/zinc/46/08/85/556460885.db2.gz CDXMSCGNDYTNDF-MLGOLLRUSA-N 2 2 364.475 2.056 20 5 FEBDLP Cc1c(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370814161 556976507 /nfs/dbraw/zinc/97/65/07/556976507.db2.gz HZKNCZJEFCAZBX-SFHVURJKSA-N 2 2 374.485 2.073 20 5 FEBDLP Cc1c(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370814161 556976511 /nfs/dbraw/zinc/97/65/11/556976511.db2.gz HZKNCZJEFCAZBX-SFHVURJKSA-N 2 2 374.485 2.073 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373762819 557753657 /nfs/dbraw/zinc/75/36/57/557753657.db2.gz YKQDRCHGHLRNQO-CRAIPNDOSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373762819 557753659 /nfs/dbraw/zinc/75/36/59/557753659.db2.gz YKQDRCHGHLRNQO-CRAIPNDOSA-N 2 2 362.474 2.061 20 5 FEBDLP CCc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000378364527 558539606 /nfs/dbraw/zinc/53/96/06/558539606.db2.gz CRAYHDQJEMQRKX-HNNXBMFYSA-N 2 2 374.485 2.398 20 5 FEBDLP CCc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000378364527 558539609 /nfs/dbraw/zinc/53/96/09/558539609.db2.gz CRAYHDQJEMQRKX-HNNXBMFYSA-N 2 2 374.485 2.398 20 5 FEBDLP CC[NH+](CC)CC[C@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439114250 559988757 /nfs/dbraw/zinc/98/87/57/559988757.db2.gz BGSCIDFROKODCY-MRXNPFEDSA-N 2 2 373.457 2.287 20 5 FEBDLP CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448600791 560192171 /nfs/dbraw/zinc/19/21/71/560192171.db2.gz LFDXZUULTGVZKI-UHFFFAOYSA-N 2 2 357.414 2.194 20 5 FEBDLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448710214 560195781 /nfs/dbraw/zinc/19/57/81/560195781.db2.gz SSHRDCYLWPMAGX-GJZGRUSLSA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448710214 560195783 /nfs/dbraw/zinc/19/57/83/560195783.db2.gz SSHRDCYLWPMAGX-GJZGRUSLSA-N 2 2 355.398 2.137 20 5 FEBDLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451763679 560327270 /nfs/dbraw/zinc/32/72/70/560327270.db2.gz SXJGBOZAYJOHDX-HOCLYGCPSA-N 2 2 369.425 2.479 20 5 FEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000453273283 560384970 /nfs/dbraw/zinc/38/49/70/560384970.db2.gz VOVSCFCLZKNKDG-HOCLYGCPSA-N 2 2 351.447 2.491 20 5 FEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000453273283 560384971 /nfs/dbraw/zinc/38/49/71/560384971.db2.gz VOVSCFCLZKNKDG-HOCLYGCPSA-N 2 2 351.447 2.491 20 5 FEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000470170322 560976017 /nfs/dbraw/zinc/97/60/17/560976017.db2.gz SEFOAJXMCXAJJD-LGMDPLHJSA-N 2 2 372.469 2.238 20 5 FEBDLP COC(=O)COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713749 561102975 /nfs/dbraw/zinc/10/29/75/561102975.db2.gz KEPXMCPNHMCSHP-ZFWWWQNUSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713749 561102976 /nfs/dbraw/zinc/10/29/76/561102976.db2.gz KEPXMCPNHMCSHP-ZFWWWQNUSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713749 561102977 /nfs/dbraw/zinc/10/29/77/561102977.db2.gz KEPXMCPNHMCSHP-ZFWWWQNUSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713749 561102978 /nfs/dbraw/zinc/10/29/78/561102978.db2.gz KEPXMCPNHMCSHP-ZFWWWQNUSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713747 561103090 /nfs/dbraw/zinc/10/30/90/561103090.db2.gz KEPXMCPNHMCSHP-UKRRQHHQSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713747 561103091 /nfs/dbraw/zinc/10/30/91/561103091.db2.gz KEPXMCPNHMCSHP-UKRRQHHQSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713747 561103092 /nfs/dbraw/zinc/10/30/92/561103092.db2.gz KEPXMCPNHMCSHP-UKRRQHHQSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713747 561103093 /nfs/dbraw/zinc/10/30/93/561103093.db2.gz KEPXMCPNHMCSHP-UKRRQHHQSA-N 2 2 365.430 2.061 20 5 FEBDLP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000541228010 562606423 /nfs/dbraw/zinc/60/64/23/562606423.db2.gz CRHPKOWRJSNLGJ-CZUORRHYSA-N 2 2 357.414 2.170 20 5 FEBDLP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000843358406 680999611 /nfs/dbraw/zinc/99/96/11/680999611.db2.gz NHDJPBBGJPQLHJ-LBPRGKRZSA-N 2 2 358.364 2.345 20 5 FEBDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892792896 689244508 /nfs/dbraw/zinc/24/45/08/689244508.db2.gz IUQGGHCSXUSJPK-OAHLLOKOSA-N 2 2 368.865 2.281 20 5 FEBDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892792896 689244515 /nfs/dbraw/zinc/24/45/15/689244515.db2.gz IUQGGHCSXUSJPK-OAHLLOKOSA-N 2 2 368.865 2.281 20 5 FEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000123716487 543779306 /nfs/dbraw/zinc/77/93/06/543779306.db2.gz WNOGLJFNWWAWGF-RDJZCZTQSA-N 2 2 374.441 2.023 20 5 FEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000123716487 543779307 /nfs/dbraw/zinc/77/93/07/543779307.db2.gz WNOGLJFNWWAWGF-RDJZCZTQSA-N 2 2 374.441 2.023 20 5 FEBDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000124273656 543811378 /nfs/dbraw/zinc/81/13/78/543811378.db2.gz QERWSUBNFMNYIG-UHFFFAOYSA-N 2 2 351.794 2.405 20 5 FEBDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000124273656 543811380 /nfs/dbraw/zinc/81/13/80/543811380.db2.gz QERWSUBNFMNYIG-UHFFFAOYSA-N 2 2 351.794 2.405 20 5 FEBDLP Cc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000371467166 330245795 /nfs/dbraw/zinc/24/57/95/330245795.db2.gz WPEQUHNKTFDVMC-OAHLLOKOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000371467166 330245796 /nfs/dbraw/zinc/24/57/96/330245796.db2.gz WPEQUHNKTFDVMC-OAHLLOKOSA-N 2 2 360.458 2.144 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180926414 547211515 /nfs/dbraw/zinc/21/15/15/547211515.db2.gz JETFINKYBOSHCZ-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180926414 547211518 /nfs/dbraw/zinc/21/15/18/547211518.db2.gz JETFINKYBOSHCZ-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180926414 547211521 /nfs/dbraw/zinc/21/15/21/547211521.db2.gz JETFINKYBOSHCZ-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180926414 547211523 /nfs/dbraw/zinc/21/15/23/547211523.db2.gz JETFINKYBOSHCZ-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182292813 547468786 /nfs/dbraw/zinc/46/87/86/547468786.db2.gz QTCIURUHDLSIER-CVEARBPZSA-N 2 2 374.441 2.023 20 5 FEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182292813 547468790 /nfs/dbraw/zinc/46/87/90/547468790.db2.gz QTCIURUHDLSIER-CVEARBPZSA-N 2 2 374.441 2.023 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186495072 548143595 /nfs/dbraw/zinc/14/35/95/548143595.db2.gz LXKCVZJOVHMDKC-CQSZACIVSA-N 2 2 355.398 2.137 20 5 FEBDLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287982325 552070685 /nfs/dbraw/zinc/07/06/85/552070685.db2.gz APHCXOAFHHURLN-GDBMZVCRSA-N 2 2 369.425 2.479 20 5 FEBDLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332371393 554433600 /nfs/dbraw/zinc/43/36/00/554433600.db2.gz BCOXEHUYUOMCPD-NVXWUHKLSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332371393 554433601 /nfs/dbraw/zinc/43/36/01/554433601.db2.gz BCOXEHUYUOMCPD-NVXWUHKLSA-N 2 2 362.474 2.061 20 5 FEBDLP Cc1sc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000517651810 562094649 /nfs/dbraw/zinc/09/46/49/562094649.db2.gz ATZDXEXBBKHSNN-UHFFFAOYSA-N 2 2 361.427 2.364 20 5 FEBDLP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374906011 557949044 /nfs/dbraw/zinc/94/90/44/557949044.db2.gz BLPWOBDBDUYRHX-PBHICJAKSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374906011 557949045 /nfs/dbraw/zinc/94/90/45/557949045.db2.gz BLPWOBDBDUYRHX-PBHICJAKSA-N 2 2 350.438 2.192 20 5 FEBDLP Cc1c(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000378367405 558540706 /nfs/dbraw/zinc/54/07/06/558540706.db2.gz DKEIFLDTMPDISQ-AWEZNQCLSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1c(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000378367405 558540707 /nfs/dbraw/zinc/54/07/07/558540707.db2.gz DKEIFLDTMPDISQ-AWEZNQCLSA-N 2 2 360.458 2.144 20 5 FEBDLP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414940991 559196224 /nfs/dbraw/zinc/19/62/24/559196224.db2.gz CGEFOKKVGKGJSM-JQWIXIFHSA-N 2 2 359.373 2.477 20 5 FEBDLP CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420628433 559494346 /nfs/dbraw/zinc/49/43/46/559494346.db2.gz PCZHMKUGFJQDHK-UHFFFAOYSA-N 2 2 364.494 2.116 20 5 FEBDLP CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420628433 559494347 /nfs/dbraw/zinc/49/43/47/559494347.db2.gz PCZHMKUGFJQDHK-UHFFFAOYSA-N 2 2 364.494 2.116 20 5 FEBDLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422640046 559599496 /nfs/dbraw/zinc/59/94/96/559599496.db2.gz UQZWQJBHOBFXRE-UTUOFQBUSA-N 2 2 354.838 2.492 20 5 FEBDLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422640046 559599497 /nfs/dbraw/zinc/59/94/97/559599497.db2.gz UQZWQJBHOBFXRE-UTUOFQBUSA-N 2 2 354.838 2.492 20 5 FEBDLP COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432786034 559864977 /nfs/dbraw/zinc/86/49/77/559864977.db2.gz BEGXHJBNNHQFSE-HNNXBMFYSA-N 2 2 365.430 2.063 20 5 FEBDLP COC(=O)COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432786034 559864978 /nfs/dbraw/zinc/86/49/78/559864978.db2.gz BEGXHJBNNHQFSE-HNNXBMFYSA-N 2 2 365.430 2.063 20 5 FEBDLP CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623051 559926630 /nfs/dbraw/zinc/92/66/30/559926630.db2.gz BNAMQXAZMMUQJT-CYBMUJFWSA-N 2 2 350.419 2.006 20 5 FEBDLP CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623051 559926631 /nfs/dbraw/zinc/92/66/31/559926631.db2.gz BNAMQXAZMMUQJT-CYBMUJFWSA-N 2 2 350.419 2.006 20 5 FEBDLP C[NH+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448977667 560210031 /nfs/dbraw/zinc/21/00/31/560210031.db2.gz ZILKKVZNENOYGB-UHFFFAOYSA-N 2 2 357.414 2.194 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000449913462 560245111 /nfs/dbraw/zinc/24/51/11/560245111.db2.gz IQCCTRXSHKCCOR-OAHLLOKOSA-N 2 2 369.425 2.338 20 5 FEBDLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450107734 560250913 /nfs/dbraw/zinc/25/09/13/560250913.db2.gz YKEBCLJXYBGDJR-OAHLLOKOSA-N 2 2 371.441 2.488 20 5 FEBDLP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450107734 560250914 /nfs/dbraw/zinc/25/09/14/560250914.db2.gz YKEBCLJXYBGDJR-OAHLLOKOSA-N 2 2 371.441 2.488 20 5 FEBDLP C[NH+]1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450351023 560259597 /nfs/dbraw/zinc/25/95/97/560259597.db2.gz SUMXGHGSWCSVCJ-UHFFFAOYSA-N 2 2 369.425 2.481 20 5 FEBDLP C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000451195143 560292524 /nfs/dbraw/zinc/29/25/24/560292524.db2.gz XESZSLJGOJMMGJ-HNNXBMFYSA-N 2 2 357.414 2.337 20 5 FEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000471155774 560999446 /nfs/dbraw/zinc/99/94/46/560999446.db2.gz DLUCKLZADNYQPN-UHFFFAOYSA-N 2 2 359.430 2.438 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000530463734 562412203 /nfs/dbraw/zinc/41/22/03/562412203.db2.gz HTXXXYUELVYIPS-QGZVFWFLSA-N 2 2 360.458 2.102 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000531340873 562442608 /nfs/dbraw/zinc/44/26/08/562442608.db2.gz ZLYLPIFJOUHDQH-KRWDZBQOSA-N 2 2 350.438 2.334 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000531340873 562442609 /nfs/dbraw/zinc/44/26/09/562442609.db2.gz ZLYLPIFJOUHDQH-KRWDZBQOSA-N 2 2 350.438 2.334 20 5 FEBDLP CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611374247 676034477 /nfs/dbraw/zinc/03/44/77/676034477.db2.gz HRUFNRIBQVTHIZ-QGZVFWFLSA-N 2 2 350.438 2.334 20 5 FEBDLP CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611374247 676034478 /nfs/dbraw/zinc/03/44/78/676034478.db2.gz HRUFNRIBQVTHIZ-QGZVFWFLSA-N 2 2 350.438 2.334 20 5 FEBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262020845 672907904 /nfs/dbraw/zinc/90/79/04/672907904.db2.gz NFSGCJGSJSTCTN-CQSZACIVSA-N 2 2 354.838 2.068 20 5 FEBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262020845 672907906 /nfs/dbraw/zinc/90/79/06/672907906.db2.gz NFSGCJGSJSTCTN-CQSZACIVSA-N 2 2 354.838 2.068 20 5 FEBDLP CC(C)[NH2+]C1(CO)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593999452 673019189 /nfs/dbraw/zinc/01/91/89/673019189.db2.gz TYEDBSUKJVYCJP-UHFFFAOYSA-N 2 2 351.447 2.189 20 5 FEBDLP C[NH+](C)CC1(O)CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000931478915 684289290 /nfs/dbraw/zinc/28/92/90/684289290.db2.gz HGUPCMQPWHNNTF-UHFFFAOYSA-N 2 2 372.263 2.246 20 5 FEBDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000066568327 541337365 /nfs/dbraw/zinc/33/73/65/541337365.db2.gz ZDVVVJWEBMPZRJ-UHFFFAOYSA-N 2 2 374.485 2.361 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134932147 544328622 /nfs/dbraw/zinc/32/86/22/544328622.db2.gz IEESJVHSEASLAW-UHFFFAOYSA-N 2 2 368.865 2.346 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134932147 544328623 /nfs/dbraw/zinc/32/86/23/544328623.db2.gz IEESJVHSEASLAW-UHFFFAOYSA-N 2 2 368.865 2.346 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264545501 329034422 /nfs/dbraw/zinc/03/44/22/329034422.db2.gz BMFJOJWUHQGTGF-MRXNPFEDSA-N 2 2 369.425 2.481 20 5 FEBDLP CCOc1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000481033833 561223474 /nfs/dbraw/zinc/22/34/74/561223474.db2.gz KHUZJJAIELHCAM-UHFFFAOYSA-N 2 2 364.446 2.206 20 5 FEBDLP O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000278454339 550787916 /nfs/dbraw/zinc/78/79/16/550787916.db2.gz XKTVRGZCIGEIBB-UHFFFAOYSA-N 2 2 369.425 2.385 20 5 FEBDLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000331539942 554282504 /nfs/dbraw/zinc/28/25/04/554282504.db2.gz FQACLKCWBBPESV-DZKIICNBSA-N 2 2 353.492 2.302 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028473 554366111 /nfs/dbraw/zinc/36/61/11/554366111.db2.gz JGJVTEGGZKFQJL-ZBFHGGJFSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028473 554366116 /nfs/dbraw/zinc/36/61/16/554366116.db2.gz JGJVTEGGZKFQJL-ZBFHGGJFSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028473 554366123 /nfs/dbraw/zinc/36/61/23/554366123.db2.gz JGJVTEGGZKFQJL-ZBFHGGJFSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028473 554366127 /nfs/dbraw/zinc/36/61/27/554366127.db2.gz JGJVTEGGZKFQJL-ZBFHGGJFSA-N 2 2 360.458 2.289 20 5 FEBDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938184 562066071 /nfs/dbraw/zinc/06/60/71/562066071.db2.gz UAJIPUVXMSWAKY-AEFFLSMTSA-N 2 2 360.458 2.114 20 5 FEBDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938184 562066072 /nfs/dbraw/zinc/06/60/72/562066072.db2.gz UAJIPUVXMSWAKY-AEFFLSMTSA-N 2 2 360.458 2.114 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370840495 556986845 /nfs/dbraw/zinc/98/68/45/556986845.db2.gz VXYUXIHZPJDJOK-KRWDZBQOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370840495 556986849 /nfs/dbraw/zinc/98/68/49/556986849.db2.gz VXYUXIHZPJDJOK-KRWDZBQOSA-N 2 2 360.458 2.144 20 5 FEBDLP C[NH+]1CCC2(CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000371362073 557160705 /nfs/dbraw/zinc/16/07/05/557160705.db2.gz WWYMABLENHGXRX-UHFFFAOYSA-N 2 2 369.425 2.481 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374871256 557944231 /nfs/dbraw/zinc/94/42/31/557944231.db2.gz CPUKKCLBBMETKG-RDTXWAMCSA-N 2 2 360.458 2.378 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374871256 557944233 /nfs/dbraw/zinc/94/42/33/557944233.db2.gz CPUKKCLBBMETKG-RDTXWAMCSA-N 2 2 360.458 2.378 20 5 FEBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000422008855 559560385 /nfs/dbraw/zinc/56/03/85/559560385.db2.gz QBYPMFXDLNTXIP-UHFFFAOYSA-N 2 2 360.458 2.227 20 5 FEBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000422008855 559560386 /nfs/dbraw/zinc/56/03/86/559560386.db2.gz QBYPMFXDLNTXIP-UHFFFAOYSA-N 2 2 360.458 2.227 20 5 FEBDLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032485 559615874 /nfs/dbraw/zinc/61/58/74/559615874.db2.gz FLPONQWHERNHJD-CABCVRRESA-N 2 2 369.487 2.269 20 5 FEBDLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450096236 560250637 /nfs/dbraw/zinc/25/06/37/560250637.db2.gz GOCDAFRVMGKSFQ-UKRRQHHQSA-N 2 2 357.414 2.239 20 5 FEBDLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450096236 560250638 /nfs/dbraw/zinc/25/06/38/560250638.db2.gz GOCDAFRVMGKSFQ-UKRRQHHQSA-N 2 2 357.414 2.239 20 5 FEBDLP CC[C@@H](C)[NH+]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000450859557 560276031 /nfs/dbraw/zinc/27/60/31/560276031.db2.gz MZXTYVPALZVGNN-MRXNPFEDSA-N 2 2 362.474 2.348 20 5 FEBDLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451689356 560322151 /nfs/dbraw/zinc/32/21/51/560322151.db2.gz MBISGERQRPIADB-GOEBONIOSA-N 2 2 369.425 2.479 20 5 FEBDLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000457082887 560547495 /nfs/dbraw/zinc/54/74/95/560547495.db2.gz FNWFBZJXMFVXPL-HNNXBMFYSA-N 2 2 357.414 2.335 20 5 FEBDLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000457082887 560547496 /nfs/dbraw/zinc/54/74/96/560547496.db2.gz FNWFBZJXMFVXPL-HNNXBMFYSA-N 2 2 357.414 2.335 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312123 562555560 /nfs/dbraw/zinc/55/55/60/562555560.db2.gz CDWWTBPWKLVHGL-QWHCGFSZSA-N 2 2 373.413 2.153 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312123 562555561 /nfs/dbraw/zinc/55/55/61/562555561.db2.gz CDWWTBPWKLVHGL-QWHCGFSZSA-N 2 2 373.413 2.153 20 5 FEBDLP CC(C)c1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597990562 673527516 /nfs/dbraw/zinc/52/75/16/673527516.db2.gz YVJJVTSLCUAHAY-UHFFFAOYSA-N 2 2 350.463 2.332 20 5 FEBDLP CC(C)c1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597990562 673527519 /nfs/dbraw/zinc/52/75/19/673527519.db2.gz YVJJVTSLCUAHAY-UHFFFAOYSA-N 2 2 350.463 2.332 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000843369065 681000258 /nfs/dbraw/zinc/00/02/58/681000258.db2.gz VQHOKVGYLFBGAB-VHRBIJSZSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000843369065 681000260 /nfs/dbraw/zinc/00/02/60/681000260.db2.gz VQHOKVGYLFBGAB-VHRBIJSZSA-N 2 2 352.822 2.246 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000051236040 540427763 /nfs/dbraw/zinc/42/77/63/540427763.db2.gz VWZIOFWXCDKQSF-UHFFFAOYSA-N 2 2 361.446 2.275 20 5 FEBDLP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000106166675 543211079 /nfs/dbraw/zinc/21/10/79/543211079.db2.gz LFBXWZCBWDTOEM-UHFFFAOYSA-N 2 2 357.414 2.222 20 5 FEBDLP Cc1cccc(NCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[nH+]1 ZINC000126239924 543925718 /nfs/dbraw/zinc/92/57/18/543925718.db2.gz BBHXBKHIIVBRGA-UHFFFAOYSA-N 2 2 366.381 2.326 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793984 325677689 /nfs/dbraw/zinc/67/76/89/325677689.db2.gz ZWDVQAFBJKREED-ZDUSSCGKSA-N 2 2 373.413 2.464 20 5 FEBDLP Cc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000120001394 326220692 /nfs/dbraw/zinc/22/06/92/326220692.db2.gz HYOQKENGIYIQCV-UHFFFAOYSA-N 2 2 369.425 2.449 20 5 FEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161306206 546118145 /nfs/dbraw/zinc/11/81/45/546118145.db2.gz YVXCYSWRDQQNNJ-AWEZNQCLSA-N 2 2 355.398 2.139 20 5 FEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161334225 546121092 /nfs/dbraw/zinc/12/10/92/546121092.db2.gz OJPXRUCWNMNRKI-AWEZNQCLSA-N 2 2 355.398 2.139 20 5 FEBDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180399516 547101697 /nfs/dbraw/zinc/10/16/97/547101697.db2.gz BYWUBVMYEZXQIG-OAHLLOKOSA-N 2 2 372.425 2.183 20 5 FEBDLP CC(C)[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000194814996 548535524 /nfs/dbraw/zinc/53/55/24/548535524.db2.gz JTEPHJCNVIGVES-UHFFFAOYSA-N 2 2 357.414 2.383 20 5 FEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755081 555394240 /nfs/dbraw/zinc/39/42/40/555394240.db2.gz AJJYFYPSHBHWSJ-UKPHBRMFSA-N 2 2 364.402 2.187 20 5 FEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755081 555394242 /nfs/dbraw/zinc/39/42/42/555394242.db2.gz AJJYFYPSHBHWSJ-UKPHBRMFSA-N 2 2 364.402 2.187 20 5 FEBDLP CCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)ccc1[N+](=O)[O-] ZINC000365174949 555502608 /nfs/dbraw/zinc/50/26/08/555502608.db2.gz FHKVRZLZRQDCTP-KRWDZBQOSA-N 2 2 362.474 2.205 20 5 FEBDLP CCOc1cc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)ccc1[N+](=O)[O-] ZINC000365174949 555502611 /nfs/dbraw/zinc/50/26/11/555502611.db2.gz FHKVRZLZRQDCTP-KRWDZBQOSA-N 2 2 362.474 2.205 20 5 FEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365674666 555637551 /nfs/dbraw/zinc/63/75/51/555637551.db2.gz IPGNMBRKWRFHKL-SUMWQHHRSA-N 2 2 356.382 2.470 20 5 FEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365674666 555637552 /nfs/dbraw/zinc/63/75/52/555637552.db2.gz IPGNMBRKWRFHKL-SUMWQHHRSA-N 2 2 356.382 2.470 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367661605 556107719 /nfs/dbraw/zinc/10/77/19/556107719.db2.gz RSOFRSAANPWMPF-MRXNPFEDSA-N 2 2 362.474 2.063 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367661605 556107721 /nfs/dbraw/zinc/10/77/21/556107721.db2.gz RSOFRSAANPWMPF-MRXNPFEDSA-N 2 2 362.474 2.063 20 5 FEBDLP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000367766998 556133738 /nfs/dbraw/zinc/13/37/38/556133738.db2.gz HPYZUWGJEATBRJ-OAHLLOKOSA-N 2 2 350.438 2.193 20 5 FEBDLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000367766998 556133740 /nfs/dbraw/zinc/13/37/40/556133740.db2.gz HPYZUWGJEATBRJ-OAHLLOKOSA-N 2 2 350.438 2.193 20 5 FEBDLP Cn1ccnc1[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105542 556220412 /nfs/dbraw/zinc/22/04/12/556220412.db2.gz TUCLQPDXZGLHSJ-SUMWQHHRSA-N 2 2 352.398 2.288 20 5 FEBDLP Cn1ccnc1[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105542 556220416 /nfs/dbraw/zinc/22/04/16/556220416.db2.gz TUCLQPDXZGLHSJ-SUMWQHHRSA-N 2 2 352.398 2.288 20 5 FEBDLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370818523 556977752 /nfs/dbraw/zinc/97/77/52/556977752.db2.gz GRTBVRMRKMRDFD-QGZVFWFLSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370818523 556977755 /nfs/dbraw/zinc/97/77/55/556977755.db2.gz GRTBVRMRKMRDFD-QGZVFWFLSA-N 2 2 360.458 2.144 20 5 FEBDLP CCc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000371844064 557309865 /nfs/dbraw/zinc/30/98/65/557309865.db2.gz IBFNTICINMVVER-SFHVURJKSA-N 2 2 374.485 2.398 20 5 FEBDLP CCc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000371844064 557309867 /nfs/dbraw/zinc/30/98/67/557309867.db2.gz IBFNTICINMVVER-SFHVURJKSA-N 2 2 374.485 2.398 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374871251 557944219 /nfs/dbraw/zinc/94/42/19/557944219.db2.gz CPUKKCLBBMETKG-KBXCAEBGSA-N 2 2 360.458 2.378 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374871251 557944221 /nfs/dbraw/zinc/94/42/21/557944221.db2.gz CPUKKCLBBMETKG-KBXCAEBGSA-N 2 2 360.458 2.378 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(CCNc3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000375581132 558052251 /nfs/dbraw/zinc/05/22/51/558052251.db2.gz GMJZSCVHUWPVSW-UHFFFAOYSA-N 2 2 353.492 2.660 20 5 FEBDLP Cn1cc[nH+]c1CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432779 559922797 /nfs/dbraw/zinc/92/27/97/559922797.db2.gz OSUIQSALFMQFGJ-QGZVFWFLSA-N 2 2 355.442 2.473 20 5 FEBDLP Cn1ccnc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432779 559922798 /nfs/dbraw/zinc/92/27/98/559922798.db2.gz OSUIQSALFMQFGJ-QGZVFWFLSA-N 2 2 355.442 2.473 20 5 FEBDLP Cn1ccnc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432779 559922799 /nfs/dbraw/zinc/92/27/99/559922799.db2.gz OSUIQSALFMQFGJ-QGZVFWFLSA-N 2 2 355.442 2.473 20 5 FEBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475579852 561100349 /nfs/dbraw/zinc/10/03/49/561100349.db2.gz AYRJHPPRDQFEOP-UHFFFAOYSA-N 2 2 365.430 2.063 20 5 FEBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475579852 561100350 /nfs/dbraw/zinc/10/03/50/561100350.db2.gz AYRJHPPRDQFEOP-UHFFFAOYSA-N 2 2 365.430 2.063 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866995 562520255 /nfs/dbraw/zinc/52/02/55/562520255.db2.gz PKOUJXMGYUBTHU-AWEZNQCLSA-N 2 2 357.414 2.455 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866995 562520256 /nfs/dbraw/zinc/52/02/56/562520256.db2.gz PKOUJXMGYUBTHU-AWEZNQCLSA-N 2 2 357.414 2.455 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312120 562555689 /nfs/dbraw/zinc/55/56/89/562555689.db2.gz CDWWTBPWKLVHGL-OLZOCXBDSA-N 2 2 373.413 2.153 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312120 562555690 /nfs/dbraw/zinc/55/56/90/562555690.db2.gz CDWWTBPWKLVHGL-OLZOCXBDSA-N 2 2 373.413 2.153 20 5 FEBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000597989755 673527609 /nfs/dbraw/zinc/52/76/09/673527609.db2.gz JFDSBMRVWTXDBU-UHFFFAOYSA-N 2 2 364.471 2.423 20 5 FEBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000597989755 673527612 /nfs/dbraw/zinc/52/76/12/673527612.db2.gz JFDSBMRVWTXDBU-UHFFFAOYSA-N 2 2 364.471 2.423 20 5 FEBDLP Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000855417454 682667931 /nfs/dbraw/zinc/66/79/31/682667931.db2.gz GZRVDTARWSBZMW-UHFFFAOYSA-N 2 2 356.854 2.170 20 5 FEBDLP Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000855417454 682667933 /nfs/dbraw/zinc/66/79/33/682667933.db2.gz GZRVDTARWSBZMW-UHFFFAOYSA-N 2 2 356.854 2.170 20 5 FEBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762737 684583301 /nfs/dbraw/zinc/58/33/01/684583301.db2.gz NRPDIEALXYJFCF-GXFFZTMASA-N 2 2 358.236 2.214 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000112560655 543452539 /nfs/dbraw/zinc/45/25/39/543452539.db2.gz WGSOUKUMBXSNRH-UHFFFAOYSA-N 2 2 368.865 2.346 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000112560655 543452542 /nfs/dbraw/zinc/45/25/42/543452542.db2.gz WGSOUKUMBXSNRH-UHFFFAOYSA-N 2 2 368.865 2.346 20 5 FEBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134167681 544296871 /nfs/dbraw/zinc/29/68/71/544296871.db2.gz RLHILGBVNYERFT-AWEZNQCLSA-N 2 2 356.430 2.334 20 5 FEBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931490 544328330 /nfs/dbraw/zinc/32/83/30/544328330.db2.gz CUOKRCGSVSUBMZ-RHSMWYFYSA-N 2 2 358.442 2.142 20 5 FEBDLP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931490 544328331 /nfs/dbraw/zinc/32/83/31/544328331.db2.gz CUOKRCGSVSUBMZ-RHSMWYFYSA-N 2 2 358.442 2.142 20 5 FEBDLP NC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931490 544328333 /nfs/dbraw/zinc/32/83/33/544328333.db2.gz CUOKRCGSVSUBMZ-RHSMWYFYSA-N 2 2 358.442 2.142 20 5 FEBDLP NC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931490 544328334 /nfs/dbraw/zinc/32/83/34/544328334.db2.gz CUOKRCGSVSUBMZ-RHSMWYFYSA-N 2 2 358.442 2.142 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000092228714 325405842 /nfs/dbraw/zinc/40/58/42/325405842.db2.gz VRXXJXIYRUMADW-UHFFFAOYSA-N 2 2 362.474 2.276 20 5 FEBDLP O=C(CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000156352366 545620936 /nfs/dbraw/zinc/62/09/36/545620936.db2.gz MIBHCNCWVPQFJK-HNNXBMFYSA-N 2 2 356.382 2.472 20 5 FEBDLP O=C(CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000156352366 545620939 /nfs/dbraw/zinc/62/09/39/545620939.db2.gz MIBHCNCWVPQFJK-HNNXBMFYSA-N 2 2 356.382 2.472 20 5 FEBDLP C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000183038964 547590826 /nfs/dbraw/zinc/59/08/26/547590826.db2.gz HXDWALLCDUWQQR-CCEZHUSRSA-N 2 2 360.458 2.140 20 5 FEBDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611599 549174272 /nfs/dbraw/zinc/17/42/72/549174272.db2.gz PQUWCRPRGYSSIF-SJORKVTESA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611599 549174275 /nfs/dbraw/zinc/17/42/75/549174275.db2.gz PQUWCRPRGYSSIF-SJORKVTESA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611599 549174279 /nfs/dbraw/zinc/17/42/79/549174279.db2.gz PQUWCRPRGYSSIF-SJORKVTESA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000246611599 549174281 /nfs/dbraw/zinc/17/42/81/549174281.db2.gz PQUWCRPRGYSSIF-SJORKVTESA-N 2 2 362.474 2.343 20 5 FEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248463937 549445200 /nfs/dbraw/zinc/44/52/00/549445200.db2.gz QTCIURUHDLSIER-JKSUJKDBSA-N 2 2 374.441 2.023 20 5 FEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248463937 549445208 /nfs/dbraw/zinc/44/52/08/549445208.db2.gz QTCIURUHDLSIER-JKSUJKDBSA-N 2 2 374.441 2.023 20 5 FEBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000271192407 550350628 /nfs/dbraw/zinc/35/06/28/550350628.db2.gz XUBOVBXONFXVKD-HUUCEWRRSA-N 2 2 352.504 2.301 20 5 FEBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000271192407 550350629 /nfs/dbraw/zinc/35/06/29/550350629.db2.gz XUBOVBXONFXVKD-HUUCEWRRSA-N 2 2 352.504 2.301 20 5 FEBDLP Cc1cc(N2CC[NH+](CC(=O)NC(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302183756 553709072 /nfs/dbraw/zinc/70/90/72/553709072.db2.gz ONMOCPXDGAXKBE-UHFFFAOYSA-N 2 2 371.441 2.098 20 5 FEBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368660735 556377358 /nfs/dbraw/zinc/37/73/58/556377358.db2.gz CUKCJGGIFSSOGU-QGZVFWFLSA-N 2 2 361.446 2.227 20 5 FEBDLP CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368660735 556377361 /nfs/dbraw/zinc/37/73/61/556377361.db2.gz CUKCJGGIFSSOGU-QGZVFWFLSA-N 2 2 361.446 2.227 20 5 FEBDLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000374207619 557843330 /nfs/dbraw/zinc/84/33/30/557843330.db2.gz JNZYOQFEAWPFLS-UHFFFAOYSA-N 2 2 355.398 2.087 20 5 FEBDLP O=C(CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376557643 558190327 /nfs/dbraw/zinc/19/03/27/558190327.db2.gz KOYITJCUGNGRNQ-QGZVFWFLSA-N 2 2 356.382 2.472 20 5 FEBDLP O=C(CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376557643 558190329 /nfs/dbraw/zinc/19/03/29/558190329.db2.gz KOYITJCUGNGRNQ-QGZVFWFLSA-N 2 2 356.382 2.472 20 5 FEBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434983834 559913734 /nfs/dbraw/zinc/91/37/34/559913734.db2.gz UKFWPRKTHYGCHW-UHFFFAOYSA-N 2 2 371.397 2.496 20 5 FEBDLP C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C[NH+](C)C ZINC000449938526 560245820 /nfs/dbraw/zinc/24/58/20/560245820.db2.gz JSUVEIPUPJYPSF-CYBMUJFWSA-N 2 2 359.430 2.487 20 5 FEBDLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450022134 560248201 /nfs/dbraw/zinc/24/82/01/560248201.db2.gz KCRUDKMOJXOWLN-HNNXBMFYSA-N 2 2 357.414 2.337 20 5 FEBDLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450022134 560248202 /nfs/dbraw/zinc/24/82/02/560248202.db2.gz KCRUDKMOJXOWLN-HNNXBMFYSA-N 2 2 357.414 2.337 20 5 FEBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594714665 673121981 /nfs/dbraw/zinc/12/19/81/673121981.db2.gz SCPIGPUPNUDUNV-MRXNPFEDSA-N 2 2 351.447 2.139 20 5 FEBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594714665 673121982 /nfs/dbraw/zinc/12/19/82/673121982.db2.gz SCPIGPUPNUDUNV-MRXNPFEDSA-N 2 2 351.447 2.139 20 5 FEBDLP Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596787752 673412916 /nfs/dbraw/zinc/41/29/16/673412916.db2.gz LNVGRLLNPRNJBW-UHFFFAOYSA-N 2 2 351.451 2.217 20 5 FEBDLP Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596787752 673412919 /nfs/dbraw/zinc/41/29/19/673412919.db2.gz LNVGRLLNPRNJBW-UHFFFAOYSA-N 2 2 351.451 2.217 20 5 FEBDLP COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000771203601 681046774 /nfs/dbraw/zinc/04/67/74/681046774.db2.gz HNJJGEGSRBPQDC-LBPRGKRZSA-N 2 2 352.410 2.323 20 5 FEBDLP COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000771203601 681046776 /nfs/dbraw/zinc/04/67/76/681046776.db2.gz HNJJGEGSRBPQDC-LBPRGKRZSA-N 2 2 352.410 2.323 20 5 FEBDLP Cc1c(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cccc1[N+](=O)[O-] ZINC000134178920 544297462 /nfs/dbraw/zinc/29/74/62/544297462.db2.gz IDULYVLDLYFNBA-UHFFFAOYSA-N 2 2 356.430 2.081 20 5 FEBDLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154120360 544866890 /nfs/dbraw/zinc/86/68/90/544866890.db2.gz DDZPSQLOUPMEJE-QGZVFWFLSA-N 2 2 368.393 2.032 20 5 FEBDLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154120360 544866894 /nfs/dbraw/zinc/86/68/94/544866894.db2.gz DDZPSQLOUPMEJE-QGZVFWFLSA-N 2 2 368.393 2.032 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000118998920 326116955 /nfs/dbraw/zinc/11/69/55/326116955.db2.gz VPRYIPKTLMXFLJ-CQSZACIVSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000118998920 326116957 /nfs/dbraw/zinc/11/69/57/326116957.db2.gz VPRYIPKTLMXFLJ-CQSZACIVSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000174467385 327328644 /nfs/dbraw/zinc/32/86/44/327328644.db2.gz CTQXTRFNLBJEFS-CQSZACIVSA-N 2 2 357.414 2.194 20 5 FEBDLP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000174467385 327328646 /nfs/dbraw/zinc/32/86/46/327328646.db2.gz CTQXTRFNLBJEFS-CQSZACIVSA-N 2 2 357.414 2.194 20 5 FEBDLP C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371458483 330244208 /nfs/dbraw/zinc/24/42/08/330244208.db2.gz KTMLABUIIYZXSR-FYCOFBDGSA-N 2 2 372.469 2.235 20 5 FEBDLP C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371458483 330244209 /nfs/dbraw/zinc/24/42/09/330244209.db2.gz KTMLABUIIYZXSR-FYCOFBDGSA-N 2 2 372.469 2.235 20 5 FEBDLP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000155320922 545510435 /nfs/dbraw/zinc/51/04/35/545510435.db2.gz NPWJZQDFHDLEFU-MAUKXSAKSA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000155320922 545510441 /nfs/dbraw/zinc/51/04/41/545510441.db2.gz NPWJZQDFHDLEFU-MAUKXSAKSA-N 2 2 362.474 2.497 20 5 FEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156342521 545618712 /nfs/dbraw/zinc/61/87/12/545618712.db2.gz IPGNMBRKWRFHKL-GUYCJALGSA-N 2 2 356.382 2.470 20 5 FEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156342521 545618714 /nfs/dbraw/zinc/61/87/14/545618714.db2.gz IPGNMBRKWRFHKL-GUYCJALGSA-N 2 2 356.382 2.470 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440758 548921570 /nfs/dbraw/zinc/92/15/70/548921570.db2.gz UWFYOGDQETUCJM-XJKSGUPXSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440758 548921575 /nfs/dbraw/zinc/92/15/75/548921575.db2.gz UWFYOGDQETUCJM-XJKSGUPXSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440758 548921577 /nfs/dbraw/zinc/92/15/77/548921577.db2.gz UWFYOGDQETUCJM-XJKSGUPXSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440758 548921580 /nfs/dbraw/zinc/92/15/80/548921580.db2.gz UWFYOGDQETUCJM-XJKSGUPXSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000247367122 549324543 /nfs/dbraw/zinc/32/45/43/549324543.db2.gz HOBYMHOBUZAEHF-SUMWQHHRSA-N 2 2 373.413 2.322 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000247367122 549324548 /nfs/dbraw/zinc/32/45/48/549324548.db2.gz HOBYMHOBUZAEHF-SUMWQHHRSA-N 2 2 373.413 2.322 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273522390 550501650 /nfs/dbraw/zinc/50/16/50/550501650.db2.gz YTXSVNVRFGINAE-UHFFFAOYSA-N 2 2 367.425 2.224 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273522390 550501651 /nfs/dbraw/zinc/50/16/51/550501651.db2.gz YTXSVNVRFGINAE-UHFFFAOYSA-N 2 2 367.425 2.224 20 5 FEBDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000284939188 551672258 /nfs/dbraw/zinc/67/22/58/551672258.db2.gz BBXFCQGJWCBFLA-PNFOFYCQSA-N 2 2 360.458 2.329 20 5 FEBDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000284939188 551672261 /nfs/dbraw/zinc/67/22/61/551672261.db2.gz BBXFCQGJWCBFLA-PNFOFYCQSA-N 2 2 360.458 2.329 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066182 554373105 /nfs/dbraw/zinc/37/31/05/554373105.db2.gz RXYOUINKONYEKF-ZBFHGGJFSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066182 554373106 /nfs/dbraw/zinc/37/31/06/554373106.db2.gz RXYOUINKONYEKF-ZBFHGGJFSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066182 554373107 /nfs/dbraw/zinc/37/31/07/554373107.db2.gz RXYOUINKONYEKF-ZBFHGGJFSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066182 554373109 /nfs/dbraw/zinc/37/31/09/554373109.db2.gz RXYOUINKONYEKF-ZBFHGGJFSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066179 554373152 /nfs/dbraw/zinc/37/31/52/554373152.db2.gz RXYOUINKONYEKF-GDBMZVCRSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066179 554373153 /nfs/dbraw/zinc/37/31/53/554373153.db2.gz RXYOUINKONYEKF-GDBMZVCRSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066179 554373154 /nfs/dbraw/zinc/37/31/54/554373154.db2.gz RXYOUINKONYEKF-GDBMZVCRSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066179 554373155 /nfs/dbraw/zinc/37/31/55/554373155.db2.gz RXYOUINKONYEKF-GDBMZVCRSA-N 2 2 360.458 2.289 20 5 FEBDLP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000332381722 554435716 /nfs/dbraw/zinc/43/57/16/554435716.db2.gz HEPIGTYIOOJQNC-RDTXWAMCSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000332381722 554435718 /nfs/dbraw/zinc/43/57/18/554435718.db2.gz HEPIGTYIOOJQNC-RDTXWAMCSA-N 2 2 350.438 2.192 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])c1 ZINC000365791554 555668443 /nfs/dbraw/zinc/66/84/43/555668443.db2.gz ABFFUKVLQUVDRX-UHFFFAOYSA-N 2 2 354.326 2.374 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000366609839 555889641 /nfs/dbraw/zinc/88/96/41/555889641.db2.gz QIZRYNOUAMKDAT-SFHVURJKSA-N 2 2 362.474 2.205 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000366609839 555889643 /nfs/dbraw/zinc/88/96/43/555889643.db2.gz QIZRYNOUAMKDAT-SFHVURJKSA-N 2 2 362.474 2.205 20 5 FEBDLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047412 557365633 /nfs/dbraw/zinc/36/56/33/557365633.db2.gz QNIPERXCKYSECA-HKUYNNGSSA-N 2 2 362.474 2.042 20 5 FEBDLP C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000374260479 557853825 /nfs/dbraw/zinc/85/38/25/557853825.db2.gz WBIGUEVPSLXRBF-INIZCTEOSA-N 2 2 362.474 2.074 20 5 FEBDLP C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000374260479 557853827 /nfs/dbraw/zinc/85/38/27/557853827.db2.gz WBIGUEVPSLXRBF-INIZCTEOSA-N 2 2 362.474 2.074 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374597697 557904503 /nfs/dbraw/zinc/90/45/03/557904503.db2.gz WBUWZPMNSGQOEY-OAHLLOKOSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374597697 557904505 /nfs/dbraw/zinc/90/45/05/557904505.db2.gz WBUWZPMNSGQOEY-OAHLLOKOSA-N 2 2 362.474 2.204 20 5 FEBDLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000375517747 558042077 /nfs/dbraw/zinc/04/20/77/558042077.db2.gz ZTRXUCDSZPCITR-GPMSIDNRSA-N 2 2 369.425 2.315 20 5 FEBDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000430220847 559815644 /nfs/dbraw/zinc/81/56/44/559815644.db2.gz SEJCKHKMYDRMEQ-UHFFFAOYSA-N 2 2 358.398 2.329 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430586915 559823675 /nfs/dbraw/zinc/82/36/75/559823675.db2.gz UJNZKKUVZIPNPA-AWEZNQCLSA-N 2 2 352.435 2.237 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430586915 559823676 /nfs/dbraw/zinc/82/36/76/559823676.db2.gz UJNZKKUVZIPNPA-AWEZNQCLSA-N 2 2 352.435 2.237 20 5 FEBDLP CCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431076602 559833556 /nfs/dbraw/zinc/83/35/56/559833556.db2.gz FXBJAICXQSKGGA-UHFFFAOYSA-N 2 2 350.419 2.006 20 5 FEBDLP CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431076602 559833557 /nfs/dbraw/zinc/83/35/57/559833557.db2.gz FXBJAICXQSKGGA-UHFFFAOYSA-N 2 2 350.419 2.006 20 5 FEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000449110584 560216212 /nfs/dbraw/zinc/21/62/12/560216212.db2.gz DZVXJCUYNWPTFN-YJBOKZPZSA-N 2 2 362.474 2.058 20 5 FEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000449110584 560216213 /nfs/dbraw/zinc/21/62/13/560216213.db2.gz DZVXJCUYNWPTFN-YJBOKZPZSA-N 2 2 362.474 2.058 20 5 FEBDLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450054525 560249420 /nfs/dbraw/zinc/24/94/20/560249420.db2.gz YAADDCSUPLKDJA-CVEARBPZSA-N 2 2 369.425 2.479 20 5 FEBDLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450054525 560249421 /nfs/dbraw/zinc/24/94/21/560249421.db2.gz YAADDCSUPLKDJA-CVEARBPZSA-N 2 2 369.425 2.479 20 5 FEBDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450234065 560255154 /nfs/dbraw/zinc/25/51/54/560255154.db2.gz PPNHAQPLXRFWRO-HZPDHXFCSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450234065 560255155 /nfs/dbraw/zinc/25/51/55/560255155.db2.gz PPNHAQPLXRFWRO-HZPDHXFCSA-N 2 2 369.425 2.337 20 5 FEBDLP CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450927830 560278890 /nfs/dbraw/zinc/27/88/90/560278890.db2.gz DSBVRQSNMKXFKA-OAHLLOKOSA-N 2 2 357.414 2.383 20 5 FEBDLP CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450927830 560278891 /nfs/dbraw/zinc/27/88/91/560278891.db2.gz DSBVRQSNMKXFKA-OAHLLOKOSA-N 2 2 357.414 2.383 20 5 FEBDLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451689657 560322148 /nfs/dbraw/zinc/32/21/48/560322148.db2.gz MBISGERQRPIADB-HOCLYGCPSA-N 2 2 369.425 2.479 20 5 FEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000470170321 560976020 /nfs/dbraw/zinc/97/60/20/560976020.db2.gz SEFOAJXMCXAJJD-GHRIWEEISA-N 2 2 372.469 2.238 20 5 FEBDLP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000541228009 562606459 /nfs/dbraw/zinc/60/64/59/562606459.db2.gz CRHPKOWRJSNLGJ-CJNGLKHVSA-N 2 2 357.414 2.170 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000843369066 681000235 /nfs/dbraw/zinc/00/02/35/681000235.db2.gz VQHOKVGYLFBGAB-ZKYQVNSYSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000843369066 681000237 /nfs/dbraw/zinc/00/02/37/681000237.db2.gz VQHOKVGYLFBGAB-ZKYQVNSYSA-N 2 2 352.822 2.246 20 5 FEBDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783609350 682159297 /nfs/dbraw/zinc/15/92/97/682159297.db2.gz WBVBFCFSCWTRAO-MRXNPFEDSA-N 2 2 368.865 2.281 20 5 FEBDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783609350 682159302 /nfs/dbraw/zinc/15/93/02/682159302.db2.gz WBVBFCFSCWTRAO-MRXNPFEDSA-N 2 2 368.865 2.281 20 5 FEBDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000109789995 543339427 /nfs/dbraw/zinc/33/94/27/543339427.db2.gz AFKLSHUCCBXVSL-UHFFFAOYSA-N 2 2 366.487 2.032 20 5 FEBDLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000153689399 544809140 /nfs/dbraw/zinc/80/91/40/544809140.db2.gz VWRNAGRWHOCJAR-UHFFFAOYSA-N 2 2 363.462 2.393 20 5 FEBDLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000153689399 544809144 /nfs/dbraw/zinc/80/91/44/544809144.db2.gz VWRNAGRWHOCJAR-UHFFFAOYSA-N 2 2 363.462 2.393 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000109793948 325677717 /nfs/dbraw/zinc/67/77/17/325677717.db2.gz GJHQZDXPTAJNNW-ZDUSSCGKSA-N 2 2 373.413 2.464 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000155671022 545556065 /nfs/dbraw/zinc/55/60/65/545556065.db2.gz FRMQGGHWGLYKGV-OAHLLOKOSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000155671022 545556068 /nfs/dbraw/zinc/55/60/68/545556068.db2.gz FRMQGGHWGLYKGV-OAHLLOKOSA-N 2 2 352.866 2.460 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477961504 561157163 /nfs/dbraw/zinc/15/71/63/561157163.db2.gz FCDNBZMYGUVQLT-UHFFFAOYSA-N 2 2 369.425 2.386 20 5 FEBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)nc1 ZINC000177199391 546568287 /nfs/dbraw/zinc/56/82/87/546568287.db2.gz VDQMYDHQRUKQIR-OAHLLOKOSA-N 2 2 365.397 2.257 20 5 FEBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)nc1 ZINC000177199391 546568289 /nfs/dbraw/zinc/56/82/89/546568289.db2.gz VDQMYDHQRUKQIR-OAHLLOKOSA-N 2 2 365.397 2.257 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164068 549067849 /nfs/dbraw/zinc/06/78/49/549067849.db2.gz OJOGLGULLPDYFY-KBPBESRZSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246164068 549067852 /nfs/dbraw/zinc/06/78/52/549067852.db2.gz OJOGLGULLPDYFY-KBPBESRZSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246164068 549067855 /nfs/dbraw/zinc/06/78/55/549067855.db2.gz OJOGLGULLPDYFY-KBPBESRZSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246164068 549067858 /nfs/dbraw/zinc/06/78/58/549067858.db2.gz OJOGLGULLPDYFY-KBPBESRZSA-N 2 2 364.446 2.204 20 5 FEBDLP COC(=O)c1cc(NCC[NH+]2CCC([NH+](C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268517310 550080215 /nfs/dbraw/zinc/08/02/15/550080215.db2.gz YTJTXHVSEXFVDP-UHFFFAOYSA-N 2 2 364.446 2.128 20 5 FEBDLP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000277701419 550703700 /nfs/dbraw/zinc/70/37/00/550703700.db2.gz IBJILPPEYITTIE-CQSZACIVSA-N 2 2 367.446 2.203 20 5 FEBDLP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000277701419 550703702 /nfs/dbraw/zinc/70/37/02/550703702.db2.gz IBJILPPEYITTIE-CQSZACIVSA-N 2 2 367.446 2.203 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290179458 552438911 /nfs/dbraw/zinc/43/89/11/552438911.db2.gz PMCWOCDRGUIEKJ-MRXNPFEDSA-N 2 2 369.425 2.242 20 5 FEBDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371284768 557131301 /nfs/dbraw/zinc/13/13/01/557131301.db2.gz UTMBYGBYNAOSHG-OAHLLOKOSA-N 2 2 359.430 2.241 20 5 FEBDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371284768 557131303 /nfs/dbraw/zinc/13/13/03/557131303.db2.gz UTMBYGBYNAOSHG-OAHLLOKOSA-N 2 2 359.430 2.241 20 5 FEBDLP C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373528458 557711553 /nfs/dbraw/zinc/71/15/53/557711553.db2.gz IFAOFSAJJVJCCY-AWEZNQCLSA-N 2 2 350.438 2.334 20 5 FEBDLP C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373528458 557711554 /nfs/dbraw/zinc/71/15/54/557711554.db2.gz IFAOFSAJJVJCCY-AWEZNQCLSA-N 2 2 350.438 2.334 20 5 FEBDLP CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378073177 558475025 /nfs/dbraw/zinc/47/50/25/558475025.db2.gz FRYMABGIXKFSIT-IBGZPJMESA-N 2 2 374.485 2.154 20 5 FEBDLP CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378073177 558475027 /nfs/dbraw/zinc/47/50/27/558475027.db2.gz FRYMABGIXKFSIT-IBGZPJMESA-N 2 2 374.485 2.154 20 5 FEBDLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945429 562238031 /nfs/dbraw/zinc/23/80/31/562238031.db2.gz VJJZRYWSAUYPJK-FQEVSTJZSA-N 2 2 371.437 2.330 20 5 FEBDLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945429 562238032 /nfs/dbraw/zinc/23/80/32/562238032.db2.gz VJJZRYWSAUYPJK-FQEVSTJZSA-N 2 2 371.437 2.330 20 5 FEBDLP COC(=O)C[N@@H+]1CCC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413308888 559097308 /nfs/dbraw/zinc/09/73/08/559097308.db2.gz KSRLLZWWLCHQCV-CYBMUJFWSA-N 2 2 358.398 2.440 20 5 FEBDLP COC(=O)C[N@H+]1CCC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413308888 559097310 /nfs/dbraw/zinc/09/73/10/559097310.db2.gz KSRLLZWWLCHQCV-CYBMUJFWSA-N 2 2 358.398 2.440 20 5 FEBDLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414948773 559196562 /nfs/dbraw/zinc/19/65/62/559196562.db2.gz ZBGSQBCJORMJQV-CMPLNLGQSA-N 2 2 359.373 2.335 20 5 FEBDLP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420338026 559481649 /nfs/dbraw/zinc/48/16/49/559481649.db2.gz NNNRTVYQTLYPTQ-UHFFFAOYSA-N 2 2 352.822 2.262 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430591775 559824040 /nfs/dbraw/zinc/82/40/40/559824040.db2.gz FWWGXYBOEKUJCJ-GXTWGEPZSA-N 2 2 352.435 2.236 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430591775 559824041 /nfs/dbraw/zinc/82/40/41/559824041.db2.gz FWWGXYBOEKUJCJ-GXTWGEPZSA-N 2 2 352.435 2.236 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000447807448 560169601 /nfs/dbraw/zinc/16/96/01/560169601.db2.gz ROBVXLRIEMPJGV-IRXDYDNUSA-N 2 2 360.458 2.466 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000447807448 560169602 /nfs/dbraw/zinc/16/96/02/560169602.db2.gz ROBVXLRIEMPJGV-IRXDYDNUSA-N 2 2 360.458 2.466 20 5 FEBDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498321 560231673 /nfs/dbraw/zinc/23/16/73/560231673.db2.gz LCKDFVNAPWVTHW-IBGZPJMESA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498321 560231674 /nfs/dbraw/zinc/23/16/74/560231674.db2.gz LCKDFVNAPWVTHW-IBGZPJMESA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498321 560231675 /nfs/dbraw/zinc/23/16/75/560231675.db2.gz LCKDFVNAPWVTHW-IBGZPJMESA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498321 560231676 /nfs/dbraw/zinc/23/16/76/560231676.db2.gz LCKDFVNAPWVTHW-IBGZPJMESA-N 2 2 374.485 2.361 20 5 FEBDLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450054526 560249457 /nfs/dbraw/zinc/24/94/57/560249457.db2.gz YAADDCSUPLKDJA-HOTGVXAUSA-N 2 2 369.425 2.479 20 5 FEBDLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450054526 560249458 /nfs/dbraw/zinc/24/94/58/560249458.db2.gz YAADDCSUPLKDJA-HOTGVXAUSA-N 2 2 369.425 2.479 20 5 FEBDLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450107733 560250807 /nfs/dbraw/zinc/25/08/07/560250807.db2.gz YKEBCLJXYBGDJR-HNNXBMFYSA-N 2 2 371.441 2.488 20 5 FEBDLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450107733 560250808 /nfs/dbraw/zinc/25/08/08/560250808.db2.gz YKEBCLJXYBGDJR-HNNXBMFYSA-N 2 2 371.441 2.488 20 5 FEBDLP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000456530390 560523425 /nfs/dbraw/zinc/52/34/25/560523425.db2.gz YHVFIBAOPMGBPF-AWEZNQCLSA-N 2 2 357.414 2.337 20 5 FEBDLP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000474339708 561071566 /nfs/dbraw/zinc/07/15/66/561071566.db2.gz BWJIJKNLAHQRCO-UHFFFAOYSA-N 2 2 365.430 2.111 20 5 FEBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823253332 675539538 /nfs/dbraw/zinc/53/95/38/675539538.db2.gz KSNNKJIEMATWDH-UHFFFAOYSA-N 2 2 357.842 2.253 20 5 FEBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823253332 675539539 /nfs/dbraw/zinc/53/95/39/675539539.db2.gz KSNNKJIEMATWDH-UHFFFAOYSA-N 2 2 357.842 2.253 20 5 FEBDLP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000931482468 684290040 /nfs/dbraw/zinc/29/00/40/684290040.db2.gz UYGUCNOOYFIYKK-UHFFFAOYSA-N 2 2 372.263 2.246 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000112921597 543468594 /nfs/dbraw/zinc/46/85/94/543468594.db2.gz MDCKUJFQEIJQNH-UHFFFAOYSA-N 2 2 368.865 2.346 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000112921597 543468596 /nfs/dbraw/zinc/46/85/96/543468596.db2.gz MDCKUJFQEIJQNH-UHFFFAOYSA-N 2 2 368.865 2.346 20 5 FEBDLP Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000173348717 327251147 /nfs/dbraw/zinc/25/11/47/327251147.db2.gz ATVNIGMLHXDZNO-UHFFFAOYSA-N 2 2 360.458 2.192 20 5 FEBDLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266925904 329273512 /nfs/dbraw/zinc/27/35/12/329273512.db2.gz NEVPMDRLWKPZPL-CQSZACIVSA-N 2 2 355.398 2.087 20 5 FEBDLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266925904 329273514 /nfs/dbraw/zinc/27/35/14/329273514.db2.gz NEVPMDRLWKPZPL-CQSZACIVSA-N 2 2 355.398 2.087 20 5 FEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156327912 545618301 /nfs/dbraw/zinc/61/83/01/545618301.db2.gz ZBHAFOPDQHRIEK-DYVFJYSZSA-N 2 2 356.382 2.470 20 5 FEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156327912 545618304 /nfs/dbraw/zinc/61/83/04/545618304.db2.gz ZBHAFOPDQHRIEK-DYVFJYSZSA-N 2 2 356.382 2.470 20 5 FEBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cs2)c1 ZINC000490028308 561424793 /nfs/dbraw/zinc/42/47/93/561424793.db2.gz GXGVFRLGIBFKMB-QGZVFWFLSA-N 2 2 373.482 2.198 20 5 FEBDLP COc1cc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000492912837 561453394 /nfs/dbraw/zinc/45/33/94/561453394.db2.gz QGRGNIFAMLTETC-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP COc1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000492912837 561453395 /nfs/dbraw/zinc/45/33/95/561453395.db2.gz QGRGNIFAMLTETC-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000285577991 551777748 /nfs/dbraw/zinc/77/77/48/551777748.db2.gz TVQPMHGNGNQOQV-ALOPSCKCSA-N 2 2 360.458 2.076 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000285577991 551777750 /nfs/dbraw/zinc/77/77/50/551777750.db2.gz TVQPMHGNGNQOQV-ALOPSCKCSA-N 2 2 360.458 2.076 20 5 FEBDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287117771 551965587 /nfs/dbraw/zinc/96/55/87/551965587.db2.gz MBNLOWPSFXPFKB-GDBMZVCRSA-N 2 2 369.425 2.479 20 5 FEBDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289314862 552300115 /nfs/dbraw/zinc/30/01/15/552300115.db2.gz AZAUTYXOVNTAGM-UHFFFAOYSA-N 2 2 369.853 2.396 20 5 FEBDLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)C1 ZINC000294259889 552892094 /nfs/dbraw/zinc/89/20/94/552892094.db2.gz SYMCXQLSVSVOSB-LJQANCHMSA-N 2 2 369.425 2.338 20 5 FEBDLP C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000363675414 555161584 /nfs/dbraw/zinc/16/15/84/555161584.db2.gz IPBQEWGFVTWSPQ-UHFFFAOYSA-N 2 2 369.425 2.190 20 5 FEBDLP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000363675414 555161585 /nfs/dbraw/zinc/16/15/85/555161585.db2.gz IPBQEWGFVTWSPQ-UHFFFAOYSA-N 2 2 369.425 2.190 20 5 FEBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000368345793 556283810 /nfs/dbraw/zinc/28/38/10/556283810.db2.gz CTTIIZSONCCWAZ-KRWDZBQOSA-N 2 2 363.458 2.331 20 5 FEBDLP CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370838728 556986158 /nfs/dbraw/zinc/98/61/58/556986158.db2.gz GRYLBCWYWPQEML-GHOSXJJBSA-N 2 2 372.469 2.235 20 5 FEBDLP CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370838728 556986161 /nfs/dbraw/zinc/98/61/61/556986161.db2.gz GRYLBCWYWPQEML-GHOSXJJBSA-N 2 2 372.469 2.235 20 5 FEBDLP C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371334605 557150791 /nfs/dbraw/zinc/15/07/91/557150791.db2.gz HAYGBLFNUHERLE-YOEHRIQHSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371334605 557150795 /nfs/dbraw/zinc/15/07/95/557150795.db2.gz HAYGBLFNUHERLE-YOEHRIQHSA-N 2 2 350.438 2.192 20 5 FEBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000375503065 558039320 /nfs/dbraw/zinc/03/93/20/558039320.db2.gz QBQRSDXZUWZSOE-WPKBUWHJSA-N 2 2 357.414 2.307 20 5 FEBDLP CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000375504488 558039678 /nfs/dbraw/zinc/03/96/78/558039678.db2.gz GNJGELUFBHMALB-IIDMSEBBSA-N 2 2 357.414 2.389 20 5 FEBDLP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414948775 559196671 /nfs/dbraw/zinc/19/66/71/559196671.db2.gz ZBGSQBCJORMJQV-PWSUYJOCSA-N 2 2 359.373 2.335 20 5 FEBDLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000419286857 559435274 /nfs/dbraw/zinc/43/52/74/559435274.db2.gz GAGJDCJGNJZYKT-GOSISDBHSA-N 2 2 358.442 2.307 20 5 FEBDLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000420322813 559480247 /nfs/dbraw/zinc/48/02/47/559480247.db2.gz SMHIULDAGVXSML-QGZVFWFLSA-N 2 2 370.453 2.468 20 5 FEBDLP C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)(C)C[NH3+] ZINC000430594882 559824049 /nfs/dbraw/zinc/82/40/49/559824049.db2.gz SJRSFMPWBZWZCL-UHFFFAOYSA-N 2 2 373.251 2.213 20 5 FEBDLP C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)(C)C[NH3+] ZINC000430594882 559824050 /nfs/dbraw/zinc/82/40/50/559824050.db2.gz SJRSFMPWBZWZCL-UHFFFAOYSA-N 2 2 373.251 2.213 20 5 FEBDLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370054 559921524 /nfs/dbraw/zinc/92/15/24/559921524.db2.gz HGGOKHDCSIHTHW-QWRGUYRKSA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370054 559921525 /nfs/dbraw/zinc/92/15/25/559921525.db2.gz HGGOKHDCSIHTHW-QWRGUYRKSA-N 2 2 359.373 2.416 20 5 FEBDLP O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448735468 560197098 /nfs/dbraw/zinc/19/70/98/560197098.db2.gz SPQSVSKOSRKTGN-UHFFFAOYSA-N 2 2 369.425 2.385 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000449913461 560245136 /nfs/dbraw/zinc/24/51/36/560245136.db2.gz IQCCTRXSHKCCOR-HNNXBMFYSA-N 2 2 369.425 2.338 20 5 FEBDLP C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000449931060 560245734 /nfs/dbraw/zinc/24/57/34/560245734.db2.gz XWALEBNSBCUYBF-UKRRQHHQSA-N 2 2 357.414 2.335 20 5 FEBDLP C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000449931060 560245735 /nfs/dbraw/zinc/24/57/35/560245735.db2.gz XWALEBNSBCUYBF-UKRRQHHQSA-N 2 2 357.414 2.335 20 5 FEBDLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450052199 560249224 /nfs/dbraw/zinc/24/92/24/560249224.db2.gz KSQAAVVPIQCBLU-GJZGRUSLSA-N 2 2 357.414 2.383 20 5 FEBDLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450052200 560249309 /nfs/dbraw/zinc/24/93/09/560249309.db2.gz KSQAAVVPIQCBLU-HUUCEWRRSA-N 2 2 357.414 2.383 20 5 FEBDLP C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[N@@H+]1C1CC1 ZINC000450071309 560249921 /nfs/dbraw/zinc/24/99/21/560249921.db2.gz BBRQMQCOHBILMT-GXTWGEPZSA-N 2 2 355.398 2.136 20 5 FEBDLP C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[N@H+]1C1CC1 ZINC000450071309 560249922 /nfs/dbraw/zinc/24/99/22/560249922.db2.gz BBRQMQCOHBILMT-GXTWGEPZSA-N 2 2 355.398 2.136 20 5 FEBDLP CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000451159768 560290672 /nfs/dbraw/zinc/29/06/72/560290672.db2.gz BUPWGGNIRKZMSY-KRWDZBQOSA-N 2 2 357.414 2.193 20 5 FEBDLP CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000451159768 560290673 /nfs/dbraw/zinc/29/06/73/560290673.db2.gz BUPWGGNIRKZMSY-KRWDZBQOSA-N 2 2 357.414 2.193 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000569422987 568401803 /nfs/dbraw/zinc/40/18/03/568401803.db2.gz JYSZQZKVAFLMPP-INIZCTEOSA-N 2 2 372.473 2.071 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000569422987 568401804 /nfs/dbraw/zinc/40/18/04/568401804.db2.gz JYSZQZKVAFLMPP-INIZCTEOSA-N 2 2 372.473 2.071 20 5 FEBDLP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000843358405 680999637 /nfs/dbraw/zinc/99/96/37/680999637.db2.gz NHDJPBBGJPQLHJ-GFCCVEGCSA-N 2 2 358.364 2.345 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000060374105 541108894 /nfs/dbraw/zinc/10/88/94/541108894.db2.gz KMCJRJAZBLSACW-OAHLLOKOSA-N 2 2 355.398 2.091 20 5 FEBDLP O=C1[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000080961360 542619254 /nfs/dbraw/zinc/61/92/54/542619254.db2.gz UUTMFMRWADNCEP-XJKSGUPXSA-N 2 2 355.398 2.303 20 5 FEBDLP O=C1[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000080961360 542619258 /nfs/dbraw/zinc/61/92/58/542619258.db2.gz UUTMFMRWADNCEP-XJKSGUPXSA-N 2 2 355.398 2.303 20 5 FEBDLP Cc1cccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000154153669 544871530 /nfs/dbraw/zinc/87/15/30/544871530.db2.gz VQKWTIAOTDLCSE-SJPCQFCGSA-N 2 2 372.469 2.286 20 5 FEBDLP Cc1cccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1[N+](=O)[O-] ZINC000154153669 544871535 /nfs/dbraw/zinc/87/15/35/544871535.db2.gz VQKWTIAOTDLCSE-SJPCQFCGSA-N 2 2 372.469 2.286 20 5 FEBDLP CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084938 330174047 /nfs/dbraw/zinc/17/40/47/330174047.db2.gz MZBZAFNRAHZZEG-SJORKVTESA-N 2 2 360.458 2.247 20 5 FEBDLP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084938 330174049 /nfs/dbraw/zinc/17/40/49/330174049.db2.gz MZBZAFNRAHZZEG-SJORKVTESA-N 2 2 360.458 2.247 20 5 FEBDLP Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369327427 330239819 /nfs/dbraw/zinc/23/98/19/330239819.db2.gz RTZGLAGAUATRRI-MRXNPFEDSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369327427 330239820 /nfs/dbraw/zinc/23/98/20/330239820.db2.gz RTZGLAGAUATRRI-MRXNPFEDSA-N 2 2 360.458 2.144 20 5 FEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161306340 546117964 /nfs/dbraw/zinc/11/79/64/546117964.db2.gz YVXCYSWRDQQNNJ-CQSZACIVSA-N 2 2 355.398 2.139 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182155265 547445284 /nfs/dbraw/zinc/44/52/84/547445284.db2.gz QPAGBKPFGVXSCH-INIZCTEOSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182155265 547445287 /nfs/dbraw/zinc/44/52/87/547445287.db2.gz QPAGBKPFGVXSCH-INIZCTEOSA-N 2 2 352.866 2.460 20 5 FEBDLP C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247687153 549371282 /nfs/dbraw/zinc/37/12/82/549371282.db2.gz SGAHHYFCFUHKHK-UWWQBHOKSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247687153 549371284 /nfs/dbraw/zinc/37/12/84/549371284.db2.gz SGAHHYFCFUHKHK-UWWQBHOKSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000290532956 552493992 /nfs/dbraw/zinc/49/39/92/552493992.db2.gz OIXKSBHHHQROQP-ZIAGYGMSSA-N 2 2 370.417 2.384 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@@H](C)C2)s1 ZINC000368963712 556460953 /nfs/dbraw/zinc/46/09/53/556460953.db2.gz CDXMSCGNDYTNDF-BLLLJJGKSA-N 2 2 364.475 2.056 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@@H](C)C2)s1 ZINC000368963712 556460954 /nfs/dbraw/zinc/46/09/54/556460954.db2.gz CDXMSCGNDYTNDF-BLLLJJGKSA-N 2 2 364.475 2.056 20 5 FEBDLP C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370147948 556794559 /nfs/dbraw/zinc/79/45/59/556794559.db2.gz HLTBPTDJCCXINX-YOEHRIQHSA-N 2 2 373.457 2.194 20 5 FEBDLP C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370147948 556794560 /nfs/dbraw/zinc/79/45/60/556794560.db2.gz HLTBPTDJCCXINX-YOEHRIQHSA-N 2 2 373.457 2.194 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829836 556981762 /nfs/dbraw/zinc/98/17/62/556981762.db2.gz JIKVAUNLMIVMPL-KRWDZBQOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829836 556981765 /nfs/dbraw/zinc/98/17/65/556981765.db2.gz JIKVAUNLMIVMPL-KRWDZBQOSA-N 2 2 360.458 2.144 20 5 FEBDLP C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424050042 559652686 /nfs/dbraw/zinc/65/26/86/559652686.db2.gz AULIIZAJEHJGTO-UMVBOHGHSA-N 2 2 357.414 2.226 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568036 559822991 /nfs/dbraw/zinc/82/29/91/559822991.db2.gz BXBIOWHCLKJSNG-OCCSQVGLSA-N 2 2 352.435 2.236 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568036 559822992 /nfs/dbraw/zinc/82/29/92/559822992.db2.gz BXBIOWHCLKJSNG-OCCSQVGLSA-N 2 2 352.435 2.236 20 5 FEBDLP C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000430690303 559826457 /nfs/dbraw/zinc/82/64/57/559826457.db2.gz CWRIFHOGROPSAK-ZDUSSCGKSA-N 2 2 374.466 2.315 20 5 FEBDLP C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C[NH+]1CCCC1 ZINC000448741526 560197512 /nfs/dbraw/zinc/19/75/12/560197512.db2.gz WVFRUGFQHHKBJV-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000448831331 560201326 /nfs/dbraw/zinc/20/13/26/560201326.db2.gz QJLGJPRTYANJBU-MRXNPFEDSA-N 2 2 369.425 2.481 20 5 FEBDLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450234063 560255144 /nfs/dbraw/zinc/25/51/44/560255144.db2.gz PPNHAQPLXRFWRO-CVEARBPZSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450234063 560255145 /nfs/dbraw/zinc/25/51/45/560255145.db2.gz PPNHAQPLXRFWRO-CVEARBPZSA-N 2 2 369.425 2.337 20 5 FEBDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451763677 560327254 /nfs/dbraw/zinc/32/72/54/560327254.db2.gz SXJGBOZAYJOHDX-GDBMZVCRSA-N 2 2 369.425 2.479 20 5 FEBDLP COc1cc(C[NH2+]CCc2cn(C)c[nH+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000459669999 560701406 /nfs/dbraw/zinc/70/14/06/560701406.db2.gz VFXYSLGEZODCEQ-UHFFFAOYSA-N 2 2 370.356 2.313 20 5 FEBDLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047144363 540292485 /nfs/dbraw/zinc/29/24/85/540292485.db2.gz YIZPWXAJXGQZIP-CQSZACIVSA-N 2 2 357.414 2.385 20 5 FEBDLP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000047144363 540292488 /nfs/dbraw/zinc/29/24/88/540292488.db2.gz YIZPWXAJXGQZIP-CQSZACIVSA-N 2 2 357.414 2.385 20 5 FEBDLP CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000069474247 541688581 /nfs/dbraw/zinc/68/85/81/541688581.db2.gz XLRKYIZMCYUDOI-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000069474247 541688584 /nfs/dbraw/zinc/68/85/84/541688584.db2.gz XLRKYIZMCYUDOI-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078455105 542461981 /nfs/dbraw/zinc/46/19/81/542461981.db2.gz LHPZHXGQKCZNSI-HNNXBMFYSA-N 2 2 357.414 2.337 20 5 FEBDLP C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000132991691 544251728 /nfs/dbraw/zinc/25/17/28/544251728.db2.gz ZPUCBODOYNEYIZ-UHFFFAOYSA-N 2 2 370.453 2.353 20 5 FEBDLP C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000132991691 544251730 /nfs/dbraw/zinc/25/17/30/544251730.db2.gz ZPUCBODOYNEYIZ-UHFFFAOYSA-N 2 2 370.453 2.353 20 5 FEBDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173312806 327249110 /nfs/dbraw/zinc/24/91/10/327249110.db2.gz AODAEQOJWRBFPX-INIZCTEOSA-N 2 2 370.457 2.248 20 5 FEBDLP CN(CCCn1cc[nH+]c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178087358 327564185 /nfs/dbraw/zinc/56/41/85/327564185.db2.gz NDKHWUKIEXNEGI-UHFFFAOYSA-N 2 2 354.370 2.139 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264869171 329069106 /nfs/dbraw/zinc/06/91/06/329069106.db2.gz GJHJLIGMQGYREX-UHFFFAOYSA-N 2 2 374.441 2.439 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264869171 329069108 /nfs/dbraw/zinc/06/91/08/329069108.db2.gz GJHJLIGMQGYREX-UHFFFAOYSA-N 2 2 374.441 2.439 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264869106 329069172 /nfs/dbraw/zinc/06/91/72/329069172.db2.gz GHZGANGGXIMULW-UHFFFAOYSA-N 2 2 373.457 2.174 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264869106 329069173 /nfs/dbraw/zinc/06/91/73/329069173.db2.gz GHZGANGGXIMULW-UHFFFAOYSA-N 2 2 373.457 2.174 20 5 FEBDLP C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371457495 330244136 /nfs/dbraw/zinc/24/41/36/330244136.db2.gz IOOJZTBPQBWRDN-CDVVCGDMSA-N 2 2 372.469 2.235 20 5 FEBDLP C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371457495 330244137 /nfs/dbraw/zinc/24/41/37/330244137.db2.gz IOOJZTBPQBWRDN-CDVVCGDMSA-N 2 2 372.469 2.235 20 5 FEBDLP CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176286121 546427620 /nfs/dbraw/zinc/42/76/20/546427620.db2.gz AGSQYQDOLNSWCF-UHFFFAOYSA-N 2 2 358.446 2.425 20 5 FEBDLP CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176286121 546427622 /nfs/dbraw/zinc/42/76/22/546427622.db2.gz AGSQYQDOLNSWCF-UHFFFAOYSA-N 2 2 358.446 2.425 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182627137 547524883 /nfs/dbraw/zinc/52/48/83/547524883.db2.gz OLDDHBSFZMTKCJ-JJTKIYQPSA-N 2 2 374.485 2.346 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182627137 547524887 /nfs/dbraw/zinc/52/48/87/547524887.db2.gz OLDDHBSFZMTKCJ-JJTKIYQPSA-N 2 2 374.485 2.346 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262023628 549781302 /nfs/dbraw/zinc/78/13/02/549781302.db2.gz NILUDIYJOVTUSZ-MRXNPFEDSA-N 2 2 357.357 2.390 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262023628 549781305 /nfs/dbraw/zinc/78/13/05/549781305.db2.gz NILUDIYJOVTUSZ-MRXNPFEDSA-N 2 2 357.357 2.390 20 5 FEBDLP Cn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494445936 561469919 /nfs/dbraw/zinc/46/99/19/561469919.db2.gz SQVZYRPXCZASBC-HNNXBMFYSA-N 2 2 352.398 2.296 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794933 555668867 /nfs/dbraw/zinc/66/88/67/555668867.db2.gz LWQJQTXLYHQWLB-BBRMVZONSA-N 2 2 364.402 2.094 20 5 FEBDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938187 562066015 /nfs/dbraw/zinc/06/60/15/562066015.db2.gz UAJIPUVXMSWAKY-SJLPKXTDSA-N 2 2 360.458 2.114 20 5 FEBDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938187 562066016 /nfs/dbraw/zinc/06/60/16/562066016.db2.gz UAJIPUVXMSWAKY-SJLPKXTDSA-N 2 2 360.458 2.114 20 5 FEBDLP Cc1c(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370814160 556976341 /nfs/dbraw/zinc/97/63/41/556976341.db2.gz HZKNCZJEFCAZBX-GOSISDBHSA-N 2 2 374.485 2.073 20 5 FEBDLP Cc1c(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370814160 556976345 /nfs/dbraw/zinc/97/63/45/556976345.db2.gz HZKNCZJEFCAZBX-GOSISDBHSA-N 2 2 374.485 2.073 20 5 FEBDLP CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830450 556982802 /nfs/dbraw/zinc/98/28/02/556982802.db2.gz NHJDQUVLAPJWQJ-MTCRFPMVSA-N 2 2 372.469 2.235 20 5 FEBDLP CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830450 556982804 /nfs/dbraw/zinc/98/28/04/556982804.db2.gz NHJDQUVLAPJWQJ-MTCRFPMVSA-N 2 2 372.469 2.235 20 5 FEBDLP CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372607330 557519247 /nfs/dbraw/zinc/51/92/47/557519247.db2.gz UJQOVQTVXODDCR-HNNXBMFYSA-N 2 2 363.418 2.108 20 5 FEBDLP CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372607330 557519251 /nfs/dbraw/zinc/51/92/51/557519251.db2.gz UJQOVQTVXODDCR-HNNXBMFYSA-N 2 2 363.418 2.108 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374871253 557944272 /nfs/dbraw/zinc/94/42/72/557944272.db2.gz CPUKKCLBBMETKG-KDOFPFPSSA-N 2 2 360.458 2.378 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374871253 557944273 /nfs/dbraw/zinc/94/42/73/557944273.db2.gz CPUKKCLBBMETKG-KDOFPFPSSA-N 2 2 360.458 2.378 20 5 FEBDLP COc1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)o2)c([N+](=O)[O-])c1 ZINC000415037454 559201961 /nfs/dbraw/zinc/20/19/61/559201961.db2.gz LFDPTLRBOZMXHE-OAHLLOKOSA-N 2 2 361.398 2.332 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(C(F)(F)F)c1 ZINC000423081615 559618036 /nfs/dbraw/zinc/61/80/36/559618036.db2.gz DJMZHQFRFMHSML-CABCVRRESA-N 2 2 359.348 2.470 20 5 FEBDLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000430552191 559822445 /nfs/dbraw/zinc/82/24/45/559822445.db2.gz MYSUIBNBRSYKNO-AWEZNQCLSA-N 2 2 371.235 2.013 20 5 FEBDLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370056 559921502 /nfs/dbraw/zinc/92/15/02/559921502.db2.gz HGGOKHDCSIHTHW-WDEREUQCSA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370056 559921503 /nfs/dbraw/zinc/92/15/03/559921503.db2.gz HGGOKHDCSIHTHW-WDEREUQCSA-N 2 2 359.373 2.416 20 5 FEBDLP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449998766 560247733 /nfs/dbraw/zinc/24/77/33/560247733.db2.gz ZAWQVVHTDQAIBW-AWEZNQCLSA-N 2 2 357.414 2.194 20 5 FEBDLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449998766 560247734 /nfs/dbraw/zinc/24/77/34/560247734.db2.gz ZAWQVVHTDQAIBW-AWEZNQCLSA-N 2 2 357.414 2.194 20 5 FEBDLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450052201 560249327 /nfs/dbraw/zinc/24/93/27/560249327.db2.gz KSQAAVVPIQCBLU-LSDHHAIUSA-N 2 2 357.414 2.383 20 5 FEBDLP C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+](C2CC2)C1 ZINC000452164452 560354209 /nfs/dbraw/zinc/35/42/09/560354209.db2.gz NVGZPUBEGFDBPC-CQSZACIVSA-N 2 2 369.425 2.337 20 5 FEBDLP C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+](C2CC2)C1 ZINC000452164452 560354210 /nfs/dbraw/zinc/35/42/10/560354210.db2.gz NVGZPUBEGFDBPC-CQSZACIVSA-N 2 2 369.425 2.337 20 5 FEBDLP Cc1noc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595428106 673249767 /nfs/dbraw/zinc/24/97/67/673249767.db2.gz LYGKMRUJSCCCRO-UHFFFAOYSA-N 2 2 352.435 2.216 20 5 FEBDLP CCC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000078973416 542491364 /nfs/dbraw/zinc/49/13/64/542491364.db2.gz GOLWGESXCNIPKE-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000130418558 544149825 /nfs/dbraw/zinc/14/98/25/544149825.db2.gz WIRKSUWQCFBADI-UHFFFAOYSA-N 2 2 357.414 2.011 20 5 FEBDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000130418558 544149830 /nfs/dbraw/zinc/14/98/30/544149830.db2.gz WIRKSUWQCFBADI-UHFFFAOYSA-N 2 2 357.414 2.011 20 5 FEBDLP CCOc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000153153692 544739803 /nfs/dbraw/zinc/73/98/03/544739803.db2.gz NRKJWDGYRMOLSV-CQSZACIVSA-N 2 2 351.447 2.491 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154372126 544897857 /nfs/dbraw/zinc/89/78/57/544897857.db2.gz YTXRUALOJLVUBY-BYICEURKSA-N 2 2 372.469 2.286 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154372126 544897861 /nfs/dbraw/zinc/89/78/61/544897861.db2.gz YTXRUALOJLVUBY-BYICEURKSA-N 2 2 372.469 2.286 20 5 FEBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172604012 327210708 /nfs/dbraw/zinc/21/07/08/327210708.db2.gz ASZBMNZFCDRGQW-HIFRSBDPSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172604012 327210709 /nfs/dbraw/zinc/21/07/09/327210709.db2.gz ASZBMNZFCDRGQW-HIFRSBDPSA-N 2 2 357.414 2.193 20 5 FEBDLP CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174881610 327357458 /nfs/dbraw/zinc/35/74/58/327357458.db2.gz XTOWVOQTFGLBNF-UHFFFAOYSA-N 2 2 358.446 2.425 20 5 FEBDLP CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174881610 327357459 /nfs/dbraw/zinc/35/74/59/327357459.db2.gz XTOWVOQTFGLBNF-UHFFFAOYSA-N 2 2 358.446 2.425 20 5 FEBDLP Cc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000371467165 330245640 /nfs/dbraw/zinc/24/56/40/330245640.db2.gz WPEQUHNKTFDVMC-HNNXBMFYSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000371467165 330245642 /nfs/dbraw/zinc/24/56/42/330245642.db2.gz WPEQUHNKTFDVMC-HNNXBMFYSA-N 2 2 360.458 2.144 20 5 FEBDLP C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247315921 549316878 /nfs/dbraw/zinc/31/68/78/549316878.db2.gz RRCYKHQFGYOPAK-WMLDXEAASA-N 2 2 357.414 2.337 20 5 FEBDLP C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247315921 549316881 /nfs/dbraw/zinc/31/68/81/549316881.db2.gz RRCYKHQFGYOPAK-WMLDXEAASA-N 2 2 357.414 2.337 20 5 FEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248463936 549445780 /nfs/dbraw/zinc/44/57/80/549445780.db2.gz QTCIURUHDLSIER-HZPDHXFCSA-N 2 2 374.441 2.023 20 5 FEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248463936 549445783 /nfs/dbraw/zinc/44/57/83/549445783.db2.gz QTCIURUHDLSIER-HZPDHXFCSA-N 2 2 374.441 2.023 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000489887985 561421469 /nfs/dbraw/zinc/42/14/69/561421469.db2.gz XGPFQYIHRKLXDB-ZDUSSCGKSA-N 2 2 350.419 2.135 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000489887985 561421470 /nfs/dbraw/zinc/42/14/70/561421470.db2.gz XGPFQYIHRKLXDB-ZDUSSCGKSA-N 2 2 350.419 2.135 20 5 FEBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295360773 552994002 /nfs/dbraw/zinc/99/40/02/552994002.db2.gz OAPPAEOUXGNUOQ-AWEZNQCLSA-N 2 2 369.425 2.337 20 5 FEBDLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295360773 552994005 /nfs/dbraw/zinc/99/40/05/552994005.db2.gz OAPPAEOUXGNUOQ-AWEZNQCLSA-N 2 2 369.425 2.337 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028472 554366144 /nfs/dbraw/zinc/36/61/44/554366144.db2.gz JGJVTEGGZKFQJL-HOCLYGCPSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028472 554366147 /nfs/dbraw/zinc/36/61/47/554366147.db2.gz JGJVTEGGZKFQJL-HOCLYGCPSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028472 554366150 /nfs/dbraw/zinc/36/61/50/554366150.db2.gz JGJVTEGGZKFQJL-HOCLYGCPSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028472 554366151 /nfs/dbraw/zinc/36/61/51/554366151.db2.gz JGJVTEGGZKFQJL-HOCLYGCPSA-N 2 2 360.458 2.289 20 5 FEBDLP C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000374258868 557853455 /nfs/dbraw/zinc/85/34/55/557853455.db2.gz MUTFUIVSCKKUPE-INIZCTEOSA-N 2 2 362.474 2.074 20 5 FEBDLP C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000374258868 557853456 /nfs/dbraw/zinc/85/34/56/557853456.db2.gz MUTFUIVSCKKUPE-INIZCTEOSA-N 2 2 362.474 2.074 20 5 FEBDLP C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374258868 557853458 /nfs/dbraw/zinc/85/34/58/557853458.db2.gz MUTFUIVSCKKUPE-INIZCTEOSA-N 2 2 362.474 2.074 20 5 FEBDLP C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374258868 557853460 /nfs/dbraw/zinc/85/34/60/557853460.db2.gz MUTFUIVSCKKUPE-INIZCTEOSA-N 2 2 362.474 2.074 20 5 FEBDLP COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)o2)c([N+](=O)[O-])c1 ZINC000415037452 559201972 /nfs/dbraw/zinc/20/19/72/559201972.db2.gz LFDPTLRBOZMXHE-HNNXBMFYSA-N 2 2 361.398 2.332 20 5 FEBDLP [NH3+][C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000423039089 559615986 /nfs/dbraw/zinc/61/59/86/559615986.db2.gz PRSLKYAGAGKZMF-IAGOWNOFSA-N 2 2 361.423 2.103 20 5 FEBDLP [NH3+]CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000430699836 559826767 /nfs/dbraw/zinc/82/67/67/559826767.db2.gz ZQKMLOPIKRRZMI-UHFFFAOYSA-N 2 2 374.466 2.316 20 5 FEBDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435390667 559921980 /nfs/dbraw/zinc/92/19/80/559921980.db2.gz SWSPKZFHPIKOEH-UHFFFAOYSA-N 2 2 374.466 2.187 20 5 FEBDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435390667 559921981 /nfs/dbraw/zinc/92/19/81/559921981.db2.gz SWSPKZFHPIKOEH-UHFFFAOYSA-N 2 2 374.466 2.187 20 5 FEBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000436057120 559934490 /nfs/dbraw/zinc/93/44/90/559934490.db2.gz UXROEKTWIOPRNR-AWEZNQCLSA-N 2 2 354.838 2.068 20 5 FEBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000436057120 559934491 /nfs/dbraw/zinc/93/44/91/559934491.db2.gz UXROEKTWIOPRNR-AWEZNQCLSA-N 2 2 354.838 2.068 20 5 FEBDLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449871611 560243434 /nfs/dbraw/zinc/24/34/34/560243434.db2.gz TWXCEGVZJNOTTP-AWEZNQCLSA-N 2 2 357.414 2.194 20 5 FEBDLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449871611 560243435 /nfs/dbraw/zinc/24/34/35/560243435.db2.gz TWXCEGVZJNOTTP-AWEZNQCLSA-N 2 2 357.414 2.194 20 5 FEBDLP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450054528 560249385 /nfs/dbraw/zinc/24/93/85/560249385.db2.gz YAADDCSUPLKDJA-JKSUJKDBSA-N 2 2 369.425 2.479 20 5 FEBDLP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450054528 560249386 /nfs/dbraw/zinc/24/93/86/560249386.db2.gz YAADDCSUPLKDJA-JKSUJKDBSA-N 2 2 369.425 2.479 20 5 FEBDLP CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457044711 560545532 /nfs/dbraw/zinc/54/55/32/560545532.db2.gz YBKDJLHNBHVFFP-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP CC[N@H+](C)C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472362375 561025057 /nfs/dbraw/zinc/02/50/57/561025057.db2.gz VYROELZFXYLMKX-QGZVFWFLSA-N 2 2 362.474 2.205 20 5 FEBDLP CC[N@@H+](C)C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472362375 561025058 /nfs/dbraw/zinc/02/50/58/561025058.db2.gz VYROELZFXYLMKX-QGZVFWFLSA-N 2 2 362.474 2.205 20 5 FEBDLP CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000475362760 561095776 /nfs/dbraw/zinc/09/57/76/561095776.db2.gz NXGGGQTWQRHDJF-UHFFFAOYSA-N 2 2 358.446 2.462 20 5 FEBDLP CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000475362760 561095777 /nfs/dbraw/zinc/09/57/77/561095777.db2.gz NXGGGQTWQRHDJF-UHFFFAOYSA-N 2 2 358.446 2.462 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000535045395 562549346 /nfs/dbraw/zinc/54/93/46/562549346.db2.gz CELQHIIHAOTNRX-ZDUSSCGKSA-N 2 2 371.397 2.116 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000535045395 562549347 /nfs/dbraw/zinc/54/93/47/562549347.db2.gz CELQHIIHAOTNRX-ZDUSSCGKSA-N 2 2 371.397 2.116 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000610250245 675961071 /nfs/dbraw/zinc/96/10/71/675961071.db2.gz HTHFVVODIDUDEB-OAHLLOKOSA-N 2 2 350.438 2.334 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000610250245 675961073 /nfs/dbraw/zinc/96/10/73/675961073.db2.gz HTHFVVODIDUDEB-OAHLLOKOSA-N 2 2 350.438 2.334 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000582845666 672039434 /nfs/dbraw/zinc/03/94/34/672039434.db2.gz GPSJXANNMPHORU-RAIGVLPGSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000582845666 672039437 /nfs/dbraw/zinc/03/94/37/672039437.db2.gz GPSJXANNMPHORU-RAIGVLPGSA-N 2 2 352.822 2.246 20 5 FEBDLP Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989300 673527200 /nfs/dbraw/zinc/52/72/00/673527200.db2.gz BWYLRVZIFBETFK-UHFFFAOYSA-N 2 2 356.854 2.170 20 5 FEBDLP Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989300 673527201 /nfs/dbraw/zinc/52/72/01/673527201.db2.gz BWYLRVZIFBETFK-UHFFFAOYSA-N 2 2 356.854 2.170 20 5 FEBDLP C[NH+]1CCC(CNc2ncc(F)cc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000601121740 673827126 /nfs/dbraw/zinc/82/71/26/673827126.db2.gz RAKCJWSAPZXXEH-UHFFFAOYSA-N 2 2 351.426 2.491 20 5 FEBDLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000841099371 680863325 /nfs/dbraw/zinc/86/33/25/680863325.db2.gz JAIFELFQBKFQSF-AWEZNQCLSA-N 2 2 350.810 2.136 20 5 FEBDLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000841099371 680863326 /nfs/dbraw/zinc/86/33/26/680863326.db2.gz JAIFELFQBKFQSF-AWEZNQCLSA-N 2 2 350.810 2.136 20 5 FEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174724792 327345934 /nfs/dbraw/zinc/34/59/34/327345934.db2.gz CMDJLRAEGLNUEG-UHFFFAOYSA-N 2 2 364.490 2.451 20 5 FEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174724792 327345936 /nfs/dbraw/zinc/34/59/36/327345936.db2.gz CMDJLRAEGLNUEG-UHFFFAOYSA-N 2 2 364.490 2.451 20 5 FEBDLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000245686949 548975068 /nfs/dbraw/zinc/97/50/68/548975068.db2.gz PTDMCJOSZCHPPT-RDTXWAMCSA-N 2 2 369.425 2.264 20 5 FEBDLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000245686949 548975073 /nfs/dbraw/zinc/97/50/73/548975073.db2.gz PTDMCJOSZCHPPT-RDTXWAMCSA-N 2 2 369.425 2.264 20 5 FEBDLP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261708899 549745984 /nfs/dbraw/zinc/74/59/84/549745984.db2.gz KGGWYNAOFGFYAI-JKSUJKDBSA-N 2 2 354.410 2.350 20 5 FEBDLP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261708899 549745988 /nfs/dbraw/zinc/74/59/88/549745988.db2.gz KGGWYNAOFGFYAI-JKSUJKDBSA-N 2 2 354.410 2.350 20 5 FEBDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298981862 553498719 /nfs/dbraw/zinc/49/87/19/553498719.db2.gz HLXYHVPFYFBCHK-CABCVRRESA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298981862 553498721 /nfs/dbraw/zinc/49/87/21/553498721.db2.gz HLXYHVPFYFBCHK-CABCVRRESA-N 2 2 355.398 2.137 20 5 FEBDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000361178783 554908313 /nfs/dbraw/zinc/90/83/13/554908313.db2.gz GYTUSUKZYOYGDH-OAHLLOKOSA-N 2 2 359.430 2.414 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000366609838 555889365 /nfs/dbraw/zinc/88/93/65/555889365.db2.gz QIZRYNOUAMKDAT-GOSISDBHSA-N 2 2 362.474 2.205 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000366609838 555889368 /nfs/dbraw/zinc/88/93/68/555889368.db2.gz QIZRYNOUAMKDAT-GOSISDBHSA-N 2 2 362.474 2.205 20 5 FEBDLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367292869 556009713 /nfs/dbraw/zinc/00/97/13/556009713.db2.gz WEZAWJVQAMKJIN-INIZCTEOSA-N 2 2 350.438 2.193 20 5 FEBDLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367292869 556009717 /nfs/dbraw/zinc/00/97/17/556009717.db2.gz WEZAWJVQAMKJIN-INIZCTEOSA-N 2 2 350.438 2.193 20 5 FEBDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830703 556149218 /nfs/dbraw/zinc/14/92/18/556149218.db2.gz IHWDFFPQHLRFEN-WBVHZDCISA-N 2 2 363.458 2.283 20 5 FEBDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830703 556149220 /nfs/dbraw/zinc/14/92/20/556149220.db2.gz IHWDFFPQHLRFEN-WBVHZDCISA-N 2 2 363.458 2.283 20 5 FEBDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000369510527 556615464 /nfs/dbraw/zinc/61/54/64/556615464.db2.gz GLYWJNWYCHYYDU-MRXNPFEDSA-N 2 2 369.425 2.474 20 5 FEBDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000369510527 556615466 /nfs/dbraw/zinc/61/54/66/556615466.db2.gz GLYWJNWYCHYYDU-MRXNPFEDSA-N 2 2 369.425 2.474 20 5 FEBDLP CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000369938049 556735746 /nfs/dbraw/zinc/73/57/46/556735746.db2.gz SISOFRXTGUCEQQ-INIZCTEOSA-N 2 2 360.458 2.056 20 5 FEBDLP CCc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000369938049 556735748 /nfs/dbraw/zinc/73/57/48/556735748.db2.gz SISOFRXTGUCEQQ-INIZCTEOSA-N 2 2 360.458 2.056 20 5 FEBDLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414948776 559196704 /nfs/dbraw/zinc/19/67/04/559196704.db2.gz ZBGSQBCJORMJQV-ZYHUDNBSSA-N 2 2 359.373 2.335 20 5 FEBDLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370051 559921527 /nfs/dbraw/zinc/92/15/27/559921527.db2.gz HGGOKHDCSIHTHW-MNOVXSKESA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370051 559921528 /nfs/dbraw/zinc/92/15/28/559921528.db2.gz HGGOKHDCSIHTHW-MNOVXSKESA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435384644 559921987 /nfs/dbraw/zinc/92/19/87/559921987.db2.gz NHBHKXKLIBJRDT-JTQLQIEISA-N 2 2 363.336 2.325 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435384644 559921988 /nfs/dbraw/zinc/92/19/88/559921988.db2.gz NHBHKXKLIBJRDT-JTQLQIEISA-N 2 2 363.336 2.325 20 5 FEBDLP C[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448843968 560202422 /nfs/dbraw/zinc/20/24/22/560202422.db2.gz HIVNPWYMBUJKJB-UHFFFAOYSA-N 2 2 357.414 2.242 20 5 FEBDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451689658 560322064 /nfs/dbraw/zinc/32/20/64/560322064.db2.gz MBISGERQRPIADB-ZBFHGGJFSA-N 2 2 369.425 2.479 20 5 FEBDLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)C1 ZINC000452153205 560353993 /nfs/dbraw/zinc/35/39/93/560353993.db2.gz QUPZVMMORJAGIA-LJQANCHMSA-N 2 2 369.425 2.338 20 5 FEBDLP C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)C1 ZINC000452153205 560353994 /nfs/dbraw/zinc/35/39/94/560353994.db2.gz QUPZVMMORJAGIA-LJQANCHMSA-N 2 2 369.425 2.338 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000843369062 681000153 /nfs/dbraw/zinc/00/01/53/681000153.db2.gz VQHOKVGYLFBGAB-MPKXVKKWSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000843369062 681000155 /nfs/dbraw/zinc/00/01/55/681000155.db2.gz VQHOKVGYLFBGAB-MPKXVKKWSA-N 2 2 352.822 2.246 20 5 FEBDLP Cc1cccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000050799780 540414989 /nfs/dbraw/zinc/41/49/89/540414989.db2.gz UZZAKTMWMADZGH-UHFFFAOYSA-N 2 2 360.458 2.192 20 5 FEBDLP CC(C)C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000074136762 542041370 /nfs/dbraw/zinc/04/13/70/542041370.db2.gz UPQCMUNMGPAJMI-HNNXBMFYSA-N 2 2 359.430 2.487 20 5 FEBDLP Cc1cccc(NC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)[nH+]1 ZINC000090554385 542785904 /nfs/dbraw/zinc/78/59/04/542785904.db2.gz QFWRKIAKTHKVGX-UHFFFAOYSA-N 2 2 357.414 2.036 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247447562 549334465 /nfs/dbraw/zinc/33/44/65/549334465.db2.gz JBMPRKIIJIYACB-XJKSGUPXSA-N 2 2 373.413 2.322 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247447562 549334466 /nfs/dbraw/zinc/33/44/66/549334466.db2.gz JBMPRKIIJIYACB-XJKSGUPXSA-N 2 2 373.413 2.322 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000108370778 543287879 /nfs/dbraw/zinc/28/78/79/543287879.db2.gz BMKXHVYASUTUEX-UHFFFAOYSA-N 2 2 364.446 2.394 20 5 FEBDLP COc1ccc(-c2ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000131492584 544191981 /nfs/dbraw/zinc/19/19/81/544191981.db2.gz PSNBSPPNVLEUDV-GOSISDBHSA-N 2 2 363.414 2.266 20 5 FEBDLP C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000118842885 326107043 /nfs/dbraw/zinc/10/70/43/326107043.db2.gz KVAHPRHGAYZBJG-LBPRGKRZSA-N 2 2 354.838 2.460 20 5 FEBDLP C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000118842885 326107044 /nfs/dbraw/zinc/10/70/44/326107044.db2.gz KVAHPRHGAYZBJG-LBPRGKRZSA-N 2 2 354.838 2.460 20 5 FEBDLP C[NH+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000118842885 326107047 /nfs/dbraw/zinc/10/70/47/326107047.db2.gz KVAHPRHGAYZBJG-LBPRGKRZSA-N 2 2 354.838 2.460 20 5 FEBDLP C[NH+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842885 326107049 /nfs/dbraw/zinc/10/70/49/326107049.db2.gz KVAHPRHGAYZBJG-LBPRGKRZSA-N 2 2 354.838 2.460 20 5 FEBDLP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000174117422 327307295 /nfs/dbraw/zinc/30/72/95/327307295.db2.gz IFOOFSWETZPWAZ-OAHLLOKOSA-N 2 2 357.414 2.337 20 5 FEBDLP C[NH+](C)Cc1ccnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000176897320 327482828 /nfs/dbraw/zinc/48/28/28/327482828.db2.gz KNCHWCQMBFJHDN-UHFFFAOYSA-N 2 2 366.381 2.489 20 5 FEBDLP C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156547723 545634808 /nfs/dbraw/zinc/63/48/08/545634808.db2.gz SGAHHYFCFUHKHK-HFTRVMKXSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156547723 545634812 /nfs/dbraw/zinc/63/48/12/545634812.db2.gz SGAHHYFCFUHKHK-HFTRVMKXSA-N 2 2 360.414 2.114 20 5 FEBDLP C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000186337899 548121435 /nfs/dbraw/zinc/12/14/35/548121435.db2.gz LHGUBLWSLZGDLB-FOCLMDBBSA-N 2 2 374.485 2.483 20 5 FEBDLP C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186337899 548121440 /nfs/dbraw/zinc/12/14/40/548121440.db2.gz LHGUBLWSLZGDLB-FOCLMDBBSA-N 2 2 374.485 2.483 20 5 FEBDLP COCC[NH+](CCOC)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000285429396 551755179 /nfs/dbraw/zinc/75/51/79/551755179.db2.gz HGCLSVGCCQFNEA-UHFFFAOYSA-N 2 2 365.474 2.462 20 5 FEBDLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287117778 551965622 /nfs/dbraw/zinc/96/56/22/551965622.db2.gz MBNLOWPSFXPFKB-HOCLYGCPSA-N 2 2 369.425 2.479 20 5 FEBDLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287117776 551965766 /nfs/dbraw/zinc/96/57/66/551965766.db2.gz MBNLOWPSFXPFKB-GOEBONIOSA-N 2 2 369.425 2.479 20 5 FEBDLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295360775 552993736 /nfs/dbraw/zinc/99/37/36/552993736.db2.gz OAPPAEOUXGNUOQ-CQSZACIVSA-N 2 2 369.425 2.337 20 5 FEBDLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295360775 552993737 /nfs/dbraw/zinc/99/37/37/552993737.db2.gz OAPPAEOUXGNUOQ-CQSZACIVSA-N 2 2 369.425 2.337 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368692217 556386883 /nfs/dbraw/zinc/38/68/83/556386883.db2.gz MFQRWYVJYHXCDA-IRXDYDNUSA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368692217 556386885 /nfs/dbraw/zinc/38/68/85/556386885.db2.gz MFQRWYVJYHXCDA-IRXDYDNUSA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368692217 556386886 /nfs/dbraw/zinc/38/68/86/556386886.db2.gz MFQRWYVJYHXCDA-IRXDYDNUSA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368692217 556386888 /nfs/dbraw/zinc/38/68/88/556386888.db2.gz MFQRWYVJYHXCDA-IRXDYDNUSA-N 2 2 355.442 2.282 20 5 FEBDLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000370817510 556977153 /nfs/dbraw/zinc/97/71/53/556977153.db2.gz CNOOVQJRTHCYBE-QGZVFWFLSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000370817510 556977156 /nfs/dbraw/zinc/97/71/56/556977156.db2.gz CNOOVQJRTHCYBE-QGZVFWFLSA-N 2 2 360.458 2.144 20 5 FEBDLP O=C1[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374206933 557843376 /nfs/dbraw/zinc/84/33/76/557843376.db2.gz GSUFFIMZIPWSCD-KRWDZBQOSA-N 2 2 355.398 2.303 20 5 FEBDLP C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378344569 558534238 /nfs/dbraw/zinc/53/42/38/558534238.db2.gz AOYVDEJKRWWDAA-AWEZNQCLSA-N 2 2 361.446 2.227 20 5 FEBDLP C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378344569 558534241 /nfs/dbraw/zinc/53/42/41/558534241.db2.gz AOYVDEJKRWWDAA-AWEZNQCLSA-N 2 2 361.446 2.227 20 5 FEBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382341 559921753 /nfs/dbraw/zinc/92/17/53/559921753.db2.gz YXYDQYFXMMGILA-WCFLWFBJSA-N 2 2 371.384 2.416 20 5 FEBDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382341 559921754 /nfs/dbraw/zinc/92/17/54/559921754.db2.gz YXYDQYFXMMGILA-WCFLWFBJSA-N 2 2 371.384 2.416 20 5 FEBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000435378335 559921827 /nfs/dbraw/zinc/92/18/27/559921827.db2.gz DBEHKXWBTUJABV-LLVKDONJSA-N 2 2 359.373 2.289 20 5 FEBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000435378335 559921828 /nfs/dbraw/zinc/92/18/28/559921828.db2.gz DBEHKXWBTUJABV-LLVKDONJSA-N 2 2 359.373 2.289 20 5 FEBDLP Cn1cc[nH+]c1CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435560193 559925137 /nfs/dbraw/zinc/92/51/37/559925137.db2.gz UVTLKBYEGYDWHB-MRXNPFEDSA-N 2 2 369.425 2.113 20 5 FEBDLP C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[N@@H+]1C1CC1 ZINC000450071311 560249873 /nfs/dbraw/zinc/24/98/73/560249873.db2.gz BBRQMQCOHBILMT-OCCSQVGLSA-N 2 2 355.398 2.136 20 5 FEBDLP C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[N@H+]1C1CC1 ZINC000450071311 560249874 /nfs/dbraw/zinc/24/98/74/560249874.db2.gz BBRQMQCOHBILMT-OCCSQVGLSA-N 2 2 355.398 2.136 20 5 FEBDLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000450314878 560258089 /nfs/dbraw/zinc/25/80/89/560258089.db2.gz CJSVZBATSIUVPT-UONOGXRCSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000450314878 560258090 /nfs/dbraw/zinc/25/80/90/560258090.db2.gz CJSVZBATSIUVPT-UONOGXRCSA-N 2 2 357.414 2.335 20 5 FEBDLP [NH3+]CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000466989939 560901021 /nfs/dbraw/zinc/90/10/21/560901021.db2.gz RUAVSPWUDMYVAH-UHFFFAOYSA-N 2 2 370.409 2.354 20 5 FEBDLP [NH3+]CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000466989939 560901022 /nfs/dbraw/zinc/90/10/22/560901022.db2.gz RUAVSPWUDMYVAH-UHFFFAOYSA-N 2 2 370.409 2.354 20 5 FEBDLP COC(=O)COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000474369897 561072402 /nfs/dbraw/zinc/07/24/02/561072402.db2.gz JAZAVKQUGQSYLG-UHFFFAOYSA-N 2 2 365.430 2.109 20 5 FEBDLP [NH3+]CCCCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000842471849 680949317 /nfs/dbraw/zinc/94/93/17/680949317.db2.gz DBEBTUCEQNYVMK-UHFFFAOYSA-N 2 2 354.476 2.323 20 5 FEBDLP C[NH+](C)CC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000931479690 684289265 /nfs/dbraw/zinc/28/92/65/684289265.db2.gz YTZSTJIECDYXSK-UHFFFAOYSA-N 2 2 372.263 2.246 20 5 FEBDLP O=C(NCCCNc1cccc[nH+]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000115160323 543553258 /nfs/dbraw/zinc/55/32/58/543553258.db2.gz AKGJISIXSQDVTA-UHFFFAOYSA-N 2 2 366.381 2.408 20 5 FEBDLP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000155320839 545510919 /nfs/dbraw/zinc/51/09/19/545510919.db2.gz NPWJZQDFHDLEFU-CRAIPNDOSA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000155320839 545510922 /nfs/dbraw/zinc/51/09/22/545510922.db2.gz NPWJZQDFHDLEFU-CRAIPNDOSA-N 2 2 362.474 2.497 20 5 FEBDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180399497 547101220 /nfs/dbraw/zinc/10/12/20/547101220.db2.gz BYWUBVMYEZXQIG-HNNXBMFYSA-N 2 2 372.425 2.183 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181114078 547252247 /nfs/dbraw/zinc/25/22/47/547252247.db2.gz PHRATWVADIREPI-UHFFFAOYSA-N 2 2 361.402 2.151 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181114078 547252252 /nfs/dbraw/zinc/25/22/52/547252252.db2.gz PHRATWVADIREPI-UHFFFAOYSA-N 2 2 361.402 2.151 20 5 FEBDLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245602198 548956008 /nfs/dbraw/zinc/95/60/08/548956008.db2.gz MOETYOGWRVILBU-JLSDUUJJSA-N 2 2 369.425 2.480 20 5 FEBDLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245602198 548956012 /nfs/dbraw/zinc/95/60/12/548956012.db2.gz MOETYOGWRVILBU-JLSDUUJJSA-N 2 2 369.425 2.480 20 5 FEBDLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247170875 549293986 /nfs/dbraw/zinc/29/39/86/549293986.db2.gz ASZBMNZFCDRGQW-UKRRQHHQSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247170875 549293988 /nfs/dbraw/zinc/29/39/88/549293988.db2.gz ASZBMNZFCDRGQW-UKRRQHHQSA-N 2 2 357.414 2.193 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000489887984 561421524 /nfs/dbraw/zinc/42/15/24/561421524.db2.gz XGPFQYIHRKLXDB-CYBMUJFWSA-N 2 2 350.419 2.135 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000489887984 561421525 /nfs/dbraw/zinc/42/15/25/561421525.db2.gz XGPFQYIHRKLXDB-CYBMUJFWSA-N 2 2 350.419 2.135 20 5 FEBDLP C[NH+](C)C1CC[NH+](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278367778 550777968 /nfs/dbraw/zinc/77/79/68/550777968.db2.gz KVGAJQFOWXPYIE-UHFFFAOYSA-N 2 2 361.368 2.447 20 5 FEBDLP CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000360535145 554878569 /nfs/dbraw/zinc/87/85/69/554878569.db2.gz ATDNIPZLYZHKMC-KRWDZBQOSA-N 2 2 361.446 2.227 20 5 FEBDLP CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000360535145 554878572 /nfs/dbraw/zinc/87/85/72/554878572.db2.gz ATDNIPZLYZHKMC-KRWDZBQOSA-N 2 2 361.446 2.227 20 5 FEBDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000361178782 554908149 /nfs/dbraw/zinc/90/81/49/554908149.db2.gz GYTUSUKZYOYGDH-HNNXBMFYSA-N 2 2 359.430 2.414 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@@H](C)C2)s1 ZINC000368950718 556457117 /nfs/dbraw/zinc/45/71/17/556457117.db2.gz NHIKERCZSAVXRM-WFASDCNBSA-N 2 2 364.475 2.056 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@@H](C)C2)s1 ZINC000368950718 556457119 /nfs/dbraw/zinc/45/71/19/556457119.db2.gz NHIKERCZSAVXRM-WFASDCNBSA-N 2 2 364.475 2.056 20 5 FEBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420368051 559483435 /nfs/dbraw/zinc/48/34/35/559483435.db2.gz TXCJCBPONALBKD-GFCCVEGCSA-N 2 2 373.251 2.259 20 5 FEBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514737 560163612 /nfs/dbraw/zinc/16/36/12/560163612.db2.gz HJQMBACNDMKQFP-BRWVUGGUSA-N 2 2 365.478 2.221 20 5 FEBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514737 560163613 /nfs/dbraw/zinc/16/36/13/560163613.db2.gz HJQMBACNDMKQFP-BRWVUGGUSA-N 2 2 365.478 2.221 20 5 FEBDLP CC(C)[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447803947 560169486 /nfs/dbraw/zinc/16/94/86/560169486.db2.gz CKLGRBNWJLPJKQ-LJQANCHMSA-N 2 2 362.474 2.203 20 5 FEBDLP CC(C)[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000447803947 560169487 /nfs/dbraw/zinc/16/94/87/560169487.db2.gz CKLGRBNWJLPJKQ-LJQANCHMSA-N 2 2 362.474 2.203 20 5 FEBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449931148 560245649 /nfs/dbraw/zinc/24/56/49/560245649.db2.gz NWWPSJHCIVUFDP-HIFRSBDPSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449931148 560245650 /nfs/dbraw/zinc/24/56/50/560245650.db2.gz NWWPSJHCIVUFDP-HIFRSBDPSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000570474663 568478071 /nfs/dbraw/zinc/47/80/71/568478071.db2.gz MRBCVPAZTYEHJY-TWMKSMIVSA-N 2 2 365.478 2.364 20 5 FEBDLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000570474663 568478073 /nfs/dbraw/zinc/47/80/73/568478073.db2.gz MRBCVPAZTYEHJY-TWMKSMIVSA-N 2 2 365.478 2.364 20 5 FEBDLP C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2F)([NH+]2CCCCC2)CC1 ZINC000584099947 672155510 /nfs/dbraw/zinc/15/55/10/672155510.db2.gz WMHPUNAVDGCGJA-UHFFFAOYSA-N 2 2 351.426 2.491 20 5 FEBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262020842 672907779 /nfs/dbraw/zinc/90/77/79/672907779.db2.gz NFSGCJGSJSTCTN-AWEZNQCLSA-N 2 2 354.838 2.068 20 5 FEBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262020842 672907784 /nfs/dbraw/zinc/90/77/84/672907784.db2.gz NFSGCJGSJSTCTN-AWEZNQCLSA-N 2 2 354.838 2.068 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(Nc3c(Cl)cncc3[N+](=O)[O-])CC2)CC1 ZINC000596102799 673359101 /nfs/dbraw/zinc/35/91/01/673359101.db2.gz QXJKNLSCPHRMQO-UHFFFAOYSA-N 2 2 353.854 2.036 20 5 FEBDLP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032247116 539931875 /nfs/dbraw/zinc/93/18/75/539931875.db2.gz XOEWDIAMCSHEME-AWEZNQCLSA-N 2 2 357.414 2.385 20 5 FEBDLP C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000122869513 543728343 /nfs/dbraw/zinc/72/83/43/543728343.db2.gz RRCYKHQFGYOPAK-PBHICJAKSA-N 2 2 357.414 2.337 20 5 FEBDLP C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000122869513 543728347 /nfs/dbraw/zinc/72/83/47/543728347.db2.gz RRCYKHQFGYOPAK-PBHICJAKSA-N 2 2 357.414 2.337 20 5 FEBDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000133711280 544280303 /nfs/dbraw/zinc/28/03/03/544280303.db2.gz JQBXDTVAVVPRBH-INIZCTEOSA-N 2 2 370.457 2.248 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000193693957 328390024 /nfs/dbraw/zinc/39/00/24/328390024.db2.gz ZUWFYTHVALCGHQ-UHFFFAOYSA-N 2 2 364.402 2.047 20 5 FEBDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000090522705 325362180 /nfs/dbraw/zinc/36/21/80/325362180.db2.gz XLZNECSSIZNAFT-QGZVFWFLSA-N 2 2 362.474 2.200 20 5 FEBDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000090522705 325362181 /nfs/dbraw/zinc/36/21/81/325362181.db2.gz XLZNECSSIZNAFT-QGZVFWFLSA-N 2 2 362.474 2.200 20 5 FEBDLP CN(C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000106164688 325587619 /nfs/dbraw/zinc/58/76/19/325587619.db2.gz GMDSNWBDEUBYIZ-UHFFFAOYSA-N 2 2 371.441 2.246 20 5 FEBDLP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172619129 327211934 /nfs/dbraw/zinc/21/19/34/327211934.db2.gz QRLHOJNGJVEREI-UKRRQHHQSA-N 2 2 357.414 2.335 20 5 FEBDLP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000172619129 327211936 /nfs/dbraw/zinc/21/19/36/327211936.db2.gz QRLHOJNGJVEREI-UKRRQHHQSA-N 2 2 357.414 2.335 20 5 FEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000175213124 327380206 /nfs/dbraw/zinc/38/02/06/327380206.db2.gz WCRWCIRJFWKLFR-GOSISDBHSA-N 2 2 362.474 2.205 20 5 FEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000175213124 327380207 /nfs/dbraw/zinc/38/02/07/327380207.db2.gz WCRWCIRJFWKLFR-GOSISDBHSA-N 2 2 362.474 2.205 20 5 FEBDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000266733061 329253841 /nfs/dbraw/zinc/25/38/41/329253841.db2.gz JZKFOMXLWVJJPR-UHFFFAOYSA-N 2 2 355.398 2.087 20 5 FEBDLP C[NH+]1CCC(C)(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000272565380 329792573 /nfs/dbraw/zinc/79/25/73/329792573.db2.gz UVOWUVYJQBHQAY-UHFFFAOYSA-N 2 2 357.414 2.242 20 5 FEBDLP CN(C(=O)C[N@H+](CCC[NH3+])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000479778290 561196933 /nfs/dbraw/zinc/19/69/33/561196933.db2.gz JOOOEEBTMICBJM-UHFFFAOYSA-N 2 2 356.426 2.409 20 5 FEBDLP CN(C(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000479778290 561196934 /nfs/dbraw/zinc/19/69/34/561196934.db2.gz JOOOEEBTMICBJM-UHFFFAOYSA-N 2 2 356.426 2.409 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000182850977 547561910 /nfs/dbraw/zinc/56/19/10/547561910.db2.gz NUNJJZURVKYPKM-QAPCUYQASA-N 2 2 360.458 2.203 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000182850977 547561914 /nfs/dbraw/zinc/56/19/14/547561914.db2.gz NUNJJZURVKYPKM-QAPCUYQASA-N 2 2 360.458 2.203 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446412 548924268 /nfs/dbraw/zinc/92/42/68/548924268.db2.gz ZTZABZHEAQMNDO-YOEHRIQHSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446412 548924269 /nfs/dbraw/zinc/92/42/69/548924269.db2.gz ZTZABZHEAQMNDO-YOEHRIQHSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446412 548924270 /nfs/dbraw/zinc/92/42/70/548924270.db2.gz ZTZABZHEAQMNDO-YOEHRIQHSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446412 548924271 /nfs/dbraw/zinc/92/42/71/548924271.db2.gz ZTZABZHEAQMNDO-YOEHRIQHSA-N 2 2 360.458 2.146 20 5 FEBDLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247170857 549293768 /nfs/dbraw/zinc/29/37/68/549293768.db2.gz ASZBMNZFCDRGQW-DZGCQCFKSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247170857 549293771 /nfs/dbraw/zinc/29/37/71/549293771.db2.gz ASZBMNZFCDRGQW-DZGCQCFKSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000248452837 549441117 /nfs/dbraw/zinc/44/11/17/549441117.db2.gz JUQJNNLSBQFNIE-BFYDXBDKSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000248452837 549441122 /nfs/dbraw/zinc/44/11/22/549441122.db2.gz JUQJNNLSBQFNIE-BFYDXBDKSA-N 2 2 360.414 2.114 20 5 FEBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289531301 552336479 /nfs/dbraw/zinc/33/64/79/552336479.db2.gz WCFQOWMUWLLOEE-UHFFFAOYSA-N 2 2 372.416 2.266 20 5 FEBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289531301 552336480 /nfs/dbraw/zinc/33/64/80/552336480.db2.gz WCFQOWMUWLLOEE-UHFFFAOYSA-N 2 2 372.416 2.266 20 5 FEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755079 555394501 /nfs/dbraw/zinc/39/45/01/555394501.db2.gz AJJYFYPSHBHWSJ-FRFSOERESA-N 2 2 364.402 2.187 20 5 FEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755079 555394505 /nfs/dbraw/zinc/39/45/05/555394505.db2.gz AJJYFYPSHBHWSJ-FRFSOERESA-N 2 2 364.402 2.187 20 5 FEBDLP CCOc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000365190195 555506164 /nfs/dbraw/zinc/50/61/64/555506164.db2.gz FVXIQGLSKXERAQ-QGZVFWFLSA-N 2 2 362.474 2.205 20 5 FEBDLP CCOc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000365190195 555506163 /nfs/dbraw/zinc/50/61/63/555506163.db2.gz FVXIQGLSKXERAQ-QGZVFWFLSA-N 2 2 362.474 2.205 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@@H](C)C2)s1 ZINC000368950716 556457037 /nfs/dbraw/zinc/45/70/37/556457037.db2.gz NHIKERCZSAVXRM-SWLSCSKDSA-N 2 2 364.475 2.056 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@@H](C)C2)s1 ZINC000368950716 556457039 /nfs/dbraw/zinc/45/70/39/556457039.db2.gz NHIKERCZSAVXRM-SWLSCSKDSA-N 2 2 364.475 2.056 20 5 FEBDLP CCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000371844063 557309593 /nfs/dbraw/zinc/30/95/93/557309593.db2.gz IBFNTICINMVVER-GOSISDBHSA-N 2 2 374.485 2.398 20 5 FEBDLP CCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000371844063 557309595 /nfs/dbraw/zinc/30/95/95/557309595.db2.gz IBFNTICINMVVER-GOSISDBHSA-N 2 2 374.485 2.398 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(C(F)(F)F)c1 ZINC000423081617 559618074 /nfs/dbraw/zinc/61/80/74/559618074.db2.gz DJMZHQFRFMHSML-HUUCEWRRSA-N 2 2 359.348 2.470 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371828 559921643 /nfs/dbraw/zinc/92/16/43/559921643.db2.gz OYZQDGRCPYMEHW-ZYHUDNBSSA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371828 559921644 /nfs/dbraw/zinc/92/16/44/559921644.db2.gz OYZQDGRCPYMEHW-ZYHUDNBSSA-N 2 2 359.373 2.416 20 5 FEBDLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451763680 560327241 /nfs/dbraw/zinc/32/72/41/560327241.db2.gz SXJGBOZAYJOHDX-ZBFHGGJFSA-N 2 2 369.425 2.479 20 5 FEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000471208710 561000547 /nfs/dbraw/zinc/00/05/47/561000547.db2.gz VPQCHZSSAROQEP-CQSZACIVSA-N 2 2 356.430 2.334 20 5 FEBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000535313753 562555661 /nfs/dbraw/zinc/55/56/61/562555661.db2.gz MUKZPEPISYNXER-AWEZNQCLSA-N 2 2 357.414 2.455 20 5 FEBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000535313753 562555662 /nfs/dbraw/zinc/55/56/62/562555662.db2.gz MUKZPEPISYNXER-AWEZNQCLSA-N 2 2 357.414 2.455 20 5 FEBDLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000570474662 568478186 /nfs/dbraw/zinc/47/81/86/568478186.db2.gz MRBCVPAZTYEHJY-QBPKDAKJSA-N 2 2 365.478 2.364 20 5 FEBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262112430 672909438 /nfs/dbraw/zinc/90/94/38/672909438.db2.gz WORKGGGBTIKGIT-CQSZACIVSA-N 2 2 354.838 2.068 20 5 FEBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262112430 672909439 /nfs/dbraw/zinc/90/94/39/672909439.db2.gz WORKGGGBTIKGIT-CQSZACIVSA-N 2 2 354.838 2.068 20 5 FEBDLP C[NH+](C)CCC[N@H+](C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000596424660 673383900 /nfs/dbraw/zinc/38/39/00/673383900.db2.gz JJPUSAOHUZEAJS-UHFFFAOYSA-N 2 2 363.487 3.014 20 5 FEBDLP C[NH+](C)CCC[N@@H+](C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000596424660 673383902 /nfs/dbraw/zinc/38/39/02/673383902.db2.gz JJPUSAOHUZEAJS-UHFFFAOYSA-N 2 2 363.487 3.014 20 5 FEBDLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000841100152 680863354 /nfs/dbraw/zinc/86/33/54/680863354.db2.gz VUYUVIUOXWHHOZ-AWEZNQCLSA-N 2 2 350.810 2.136 20 5 FEBDLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000841100152 680863356 /nfs/dbraw/zinc/86/33/56/680863356.db2.gz VUYUVIUOXWHHOZ-AWEZNQCLSA-N 2 2 350.810 2.136 20 5 FEBDLP O=C(NCCC[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033221878 539971629 /nfs/dbraw/zinc/97/16/29/539971629.db2.gz PAVOCGJFVTUAMS-UHFFFAOYSA-N 2 2 357.414 2.386 20 5 FEBDLP Cc1c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000076331501 542260987 /nfs/dbraw/zinc/26/09/87/542260987.db2.gz PPENEHFWSAFKQL-UHFFFAOYSA-N 2 2 363.462 2.393 20 5 FEBDLP Cc1c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000076331501 542260991 /nfs/dbraw/zinc/26/09/91/542260991.db2.gz PPENEHFWSAFKQL-UHFFFAOYSA-N 2 2 363.462 2.393 20 5 FEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247439790 549334206 /nfs/dbraw/zinc/33/42/06/549334206.db2.gz WNOGLJFNWWAWGF-NVXWUHKLSA-N 2 2 374.441 2.023 20 5 FEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247439790 549334210 /nfs/dbraw/zinc/33/42/10/549334210.db2.gz WNOGLJFNWWAWGF-NVXWUHKLSA-N 2 2 374.441 2.023 20 5 FEBDLP CN(C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123713432 543778490 /nfs/dbraw/zinc/77/84/90/543778490.db2.gz HNTNNEAEXSOQBV-HNNXBMFYSA-N 2 2 371.441 2.246 20 5 FEBDLP CN(C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123713432 543778493 /nfs/dbraw/zinc/77/84/93/543778493.db2.gz HNTNNEAEXSOQBV-HNNXBMFYSA-N 2 2 371.441 2.246 20 5 FEBDLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000109793712 325677772 /nfs/dbraw/zinc/67/77/72/325677772.db2.gz ZTSSQRBUXCNSJD-UHFFFAOYSA-N 2 2 355.398 2.018 20 5 FEBDLP COc1ccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000118868082 326109725 /nfs/dbraw/zinc/10/97/25/326109725.db2.gz MLLDAJIWKADBAE-UHFFFAOYSA-N 2 2 364.446 2.206 20 5 FEBDLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000119594357 326179016 /nfs/dbraw/zinc/17/90/16/326179016.db2.gz UAQKPMXLEGGJLA-OAHLLOKOSA-N 2 2 371.441 2.488 20 5 FEBDLP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000119594357 326179017 /nfs/dbraw/zinc/17/90/17/326179017.db2.gz UAQKPMXLEGGJLA-OAHLLOKOSA-N 2 2 371.441 2.488 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173614133 327271240 /nfs/dbraw/zinc/27/12/40/327271240.db2.gz BKGDZEHOTNILOL-ZDUSSCGKSA-N 2 2 364.446 2.393 20 5 FEBDLP Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000276398475 330148504 /nfs/dbraw/zinc/14/85/04/330148504.db2.gz KCALLDCAIXRZJQ-UHFFFAOYSA-N 2 2 363.462 2.359 20 5 FEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161334374 546121365 /nfs/dbraw/zinc/12/13/65/546121365.db2.gz OJPXRUCWNMNRKI-CQSZACIVSA-N 2 2 355.398 2.139 20 5 FEBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182955915 547578744 /nfs/dbraw/zinc/57/87/44/547578744.db2.gz HTBBEBOVZKNGAX-UHFFFAOYSA-N 2 2 373.457 2.319 20 5 FEBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182955915 547578746 /nfs/dbraw/zinc/57/87/46/547578746.db2.gz HTBBEBOVZKNGAX-UHFFFAOYSA-N 2 2 373.457 2.319 20 5 FEBDLP C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)C1 ZINC000294259885 552891955 /nfs/dbraw/zinc/89/19/55/552891955.db2.gz SYMCXQLSVSVOSB-IBGZPJMESA-N 2 2 369.425 2.338 20 5 FEBDLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000331539951 554282641 /nfs/dbraw/zinc/28/26/41/554282641.db2.gz FQACLKCWBBPESV-LZWOXQAQSA-N 2 2 353.492 2.302 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066180 554372887 /nfs/dbraw/zinc/37/28/87/554372887.db2.gz RXYOUINKONYEKF-GOEBONIOSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066180 554372892 /nfs/dbraw/zinc/37/28/92/554372892.db2.gz RXYOUINKONYEKF-GOEBONIOSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066180 554372897 /nfs/dbraw/zinc/37/28/97/554372897.db2.gz RXYOUINKONYEKF-GOEBONIOSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066180 554372899 /nfs/dbraw/zinc/37/28/99/554372899.db2.gz RXYOUINKONYEKF-GOEBONIOSA-N 2 2 360.458 2.289 20 5 FEBDLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])cc1O ZINC000364671442 555369878 /nfs/dbraw/zinc/36/98/78/555369878.db2.gz GWPRBQBBWHUGOM-LIRRHRJNSA-N 2 2 372.425 2.487 20 5 FEBDLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])cc1O ZINC000364671442 555369880 /nfs/dbraw/zinc/36/98/80/555369880.db2.gz GWPRBQBBWHUGOM-LIRRHRJNSA-N 2 2 372.425 2.487 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000367733861 556125869 /nfs/dbraw/zinc/12/58/69/556125869.db2.gz KIHRTQYGVGDBLW-LLVKDONJSA-N 2 2 362.459 2.180 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000367733861 556125871 /nfs/dbraw/zinc/12/58/71/556125871.db2.gz KIHRTQYGVGDBLW-LLVKDONJSA-N 2 2 362.459 2.180 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829837 556981708 /nfs/dbraw/zinc/98/17/08/556981708.db2.gz JIKVAUNLMIVMPL-QGZVFWFLSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829837 556981712 /nfs/dbraw/zinc/98/17/12/556981712.db2.gz JIKVAUNLMIVMPL-QGZVFWFLSA-N 2 2 360.458 2.144 20 5 FEBDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000372092319 557378218 /nfs/dbraw/zinc/37/82/18/557378218.db2.gz RDXLSWSGZAQYNL-CRAIPNDOSA-N 2 2 363.458 2.283 20 5 FEBDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000372092319 557378219 /nfs/dbraw/zinc/37/82/19/557378219.db2.gz RDXLSWSGZAQYNL-CRAIPNDOSA-N 2 2 363.458 2.283 20 5 FEBDLP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000524450625 562228871 /nfs/dbraw/zinc/22/88/71/562228871.db2.gz UVFIJQLLZCSPOE-CQSZACIVSA-N 2 2 357.414 2.241 20 5 FEBDLP CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000524450625 562228872 /nfs/dbraw/zinc/22/88/72/562228872.db2.gz UVFIJQLLZCSPOE-CQSZACIVSA-N 2 2 357.414 2.241 20 5 FEBDLP COC(=O)COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414852180 559190722 /nfs/dbraw/zinc/19/07/22/559190722.db2.gz QJYZJGBXYQFXAK-HNNXBMFYSA-N 2 2 365.430 2.144 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000420317298 559480134 /nfs/dbraw/zinc/48/01/34/559480134.db2.gz ZIIZUFNZFHVAGL-SCDSUCTJSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000420317298 559480135 /nfs/dbraw/zinc/48/01/35/559480135.db2.gz ZIIZUFNZFHVAGL-SCDSUCTJSA-N 2 2 352.822 2.246 20 5 FEBDLP Cn1cc[nH+]c1[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489413 559630107 /nfs/dbraw/zinc/63/01/07/559630107.db2.gz WLQJUHZBYJXOGE-KGLIPLIRSA-N 2 2 351.357 2.005 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000448660638 560193186 /nfs/dbraw/zinc/19/31/86/560193186.db2.gz ZWYVSCSPXKATQR-UHFFFAOYSA-N 2 2 369.425 2.481 20 5 FEBDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448710213 560195943 /nfs/dbraw/zinc/19/59/43/560195943.db2.gz SSHRDCYLWPMAGX-CABCVRRESA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448710213 560195944 /nfs/dbraw/zinc/19/59/44/560195944.db2.gz SSHRDCYLWPMAGX-CABCVRRESA-N 2 2 355.398 2.137 20 5 FEBDLP C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C[NH+]1CCCC1 ZINC000448741529 560197531 /nfs/dbraw/zinc/19/75/31/560197531.db2.gz WVFRUGFQHHKBJV-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000449234635 560221380 /nfs/dbraw/zinc/22/13/80/560221380.db2.gz QXZAHHNDBWUHAC-HOCLYGCPSA-N 2 2 371.441 2.040 20 5 FEBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467153244 560905105 /nfs/dbraw/zinc/90/51/05/560905105.db2.gz USWABRKCEOZJNY-UHFFFAOYSA-N 2 2 371.397 2.496 20 5 FEBDLP Cc1cc[nH+]cc1N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000535543899 562560909 /nfs/dbraw/zinc/56/09/09/562560909.db2.gz ZTEIKOIBIOWZMQ-UHFFFAOYSA-N 2 2 369.425 2.449 20 5 FEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000563136479 568269856 /nfs/dbraw/zinc/26/98/56/568269856.db2.gz ZOWPJBITQNMCOM-HYXAFXHYSA-N 2 2 368.441 2.182 20 5 FEBDLP Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596867094 673420460 /nfs/dbraw/zinc/42/04/60/673420460.db2.gz PRJGOMHEFNFVJJ-UHFFFAOYSA-N 2 2 351.451 2.217 20 5 FEBDLP Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596867094 673420465 /nfs/dbraw/zinc/42/04/65/673420465.db2.gz PRJGOMHEFNFVJJ-UHFFFAOYSA-N 2 2 351.451 2.217 20 5 FEBDLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000843355250 680999633 /nfs/dbraw/zinc/99/96/33/680999633.db2.gz XOYXRGJJDKMVFC-UHFFFAOYSA-N 2 2 370.837 2.017 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087355366 542744438 /nfs/dbraw/zinc/74/44/38/542744438.db2.gz NLLPOCKOTKLKRZ-UHFFFAOYSA-N 2 2 362.474 2.012 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087355366 542744442 /nfs/dbraw/zinc/74/44/42/542744442.db2.gz NLLPOCKOTKLKRZ-UHFFFAOYSA-N 2 2 362.474 2.012 20 5 FEBDLP CCOc1ccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000111244767 543389458 /nfs/dbraw/zinc/38/94/58/543389458.db2.gz NVHDOUGYACPCOL-UHFFFAOYSA-N 2 2 373.413 2.466 20 5 FEBDLP CCOC(=O)c1cc(NCC[NH+]2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000127691609 544008218 /nfs/dbraw/zinc/00/82/18/544008218.db2.gz CZXJENYDLHFCEW-UHFFFAOYSA-N 2 2 364.446 2.209 20 5 FEBDLP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154120228 544867134 /nfs/dbraw/zinc/86/71/34/544867134.db2.gz DDZPSQLOUPMEJE-KRWDZBQOSA-N 2 2 368.393 2.032 20 5 FEBDLP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154120228 544867138 /nfs/dbraw/zinc/86/71/38/544867138.db2.gz DDZPSQLOUPMEJE-KRWDZBQOSA-N 2 2 368.393 2.032 20 5 FEBDLP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172619137 327212078 /nfs/dbraw/zinc/21/20/78/327212078.db2.gz QRLHOJNGJVEREI-HIFRSBDPSA-N 2 2 357.414 2.335 20 5 FEBDLP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000172619137 327212080 /nfs/dbraw/zinc/21/20/80/327212080.db2.gz QRLHOJNGJVEREI-HIFRSBDPSA-N 2 2 357.414 2.335 20 5 FEBDLP Cn1cc[nH+]c1[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272570756 329792938 /nfs/dbraw/zinc/79/29/38/329792938.db2.gz VUILDOMTNMZMKC-QGZVFWFLSA-N 2 2 373.457 2.118 20 5 FEBDLP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000297124124 330193932 /nfs/dbraw/zinc/19/39/32/330193932.db2.gz YWODOOPVGSBKCH-CQSZACIVSA-N 2 2 357.414 2.337 20 5 FEBDLP [NH3+]CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000479785534 561197013 /nfs/dbraw/zinc/19/70/13/561197013.db2.gz SNJWZEUVEQTAFM-UHFFFAOYSA-N 2 2 368.437 2.335 20 5 FEBDLP [NH3+]CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000479785534 561197014 /nfs/dbraw/zinc/19/70/14/561197014.db2.gz SNJWZEUVEQTAFM-UHFFFAOYSA-N 2 2 368.437 2.335 20 5 FEBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890531 549236434 /nfs/dbraw/zinc/23/64/34/549236434.db2.gz MANYGCVNZMMOLW-OLMNPRSZSA-N 2 2 358.442 2.116 20 5 FEBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890531 549236436 /nfs/dbraw/zinc/23/64/36/549236436.db2.gz MANYGCVNZMMOLW-OLMNPRSZSA-N 2 2 358.442 2.116 20 5 FEBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890531 549236438 /nfs/dbraw/zinc/23/64/38/549236438.db2.gz MANYGCVNZMMOLW-OLMNPRSZSA-N 2 2 358.442 2.116 20 5 FEBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890531 549236440 /nfs/dbraw/zinc/23/64/40/549236440.db2.gz MANYGCVNZMMOLW-OLMNPRSZSA-N 2 2 358.442 2.116 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262023626 549781549 /nfs/dbraw/zinc/78/15/49/549781549.db2.gz NILUDIYJOVTUSZ-INIZCTEOSA-N 2 2 357.357 2.390 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262023626 549781554 /nfs/dbraw/zinc/78/15/54/549781554.db2.gz NILUDIYJOVTUSZ-INIZCTEOSA-N 2 2 357.357 2.390 20 5 FEBDLP COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367460841 556056439 /nfs/dbraw/zinc/05/64/39/556056439.db2.gz KMABUHPYFRDGQD-HNNXBMFYSA-N 2 2 362.474 2.346 20 5 FEBDLP COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367460841 556056441 /nfs/dbraw/zinc/05/64/41/556056441.db2.gz KMABUHPYFRDGQD-HNNXBMFYSA-N 2 2 362.474 2.346 20 5 FEBDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721389 556678029 /nfs/dbraw/zinc/67/80/29/556678029.db2.gz DQPXCONIIGYFBU-BMFZPTHFSA-N 2 2 373.457 2.450 20 5 FEBDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721389 556678032 /nfs/dbraw/zinc/67/80/32/556678032.db2.gz DQPXCONIIGYFBU-BMFZPTHFSA-N 2 2 373.457 2.450 20 5 FEBDLP Cc1sc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830757 556982578 /nfs/dbraw/zinc/98/25/78/556982578.db2.gz OZVCQDKXZKRGPB-CQSZACIVSA-N 2 2 366.487 2.205 20 5 FEBDLP Cc1sc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830757 556982580 /nfs/dbraw/zinc/98/25/80/556982580.db2.gz OZVCQDKXZKRGPB-CQSZACIVSA-N 2 2 366.487 2.205 20 5 FEBDLP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000518609816 562115095 /nfs/dbraw/zinc/11/50/95/562115095.db2.gz OBBIZSQRYWZGRQ-OKILXGFUSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000518609816 562115096 /nfs/dbraw/zinc/11/50/96/562115096.db2.gz OBBIZSQRYWZGRQ-OKILXGFUSA-N 2 2 357.414 2.335 20 5 FEBDLP C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000374258869 557853196 /nfs/dbraw/zinc/85/31/96/557853196.db2.gz MUTFUIVSCKKUPE-MRXNPFEDSA-N 2 2 362.474 2.074 20 5 FEBDLP C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000374258869 557853198 /nfs/dbraw/zinc/85/31/98/557853198.db2.gz MUTFUIVSCKKUPE-MRXNPFEDSA-N 2 2 362.474 2.074 20 5 FEBDLP C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374258869 557853199 /nfs/dbraw/zinc/85/31/99/557853199.db2.gz MUTFUIVSCKKUPE-MRXNPFEDSA-N 2 2 362.474 2.074 20 5 FEBDLP C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374258869 557853201 /nfs/dbraw/zinc/85/32/01/557853201.db2.gz MUTFUIVSCKKUPE-MRXNPFEDSA-N 2 2 362.474 2.074 20 5 FEBDLP CN(C)C(=O)C[NH+]1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413139422 559082247 /nfs/dbraw/zinc/08/22/47/559082247.db2.gz HVXXUXRHRLFQSK-UHFFFAOYSA-N 2 2 357.414 2.108 20 5 FEBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420368053 559483584 /nfs/dbraw/zinc/48/35/84/559483584.db2.gz TXCJCBPONALBKD-LBPRGKRZSA-N 2 2 373.251 2.259 20 5 FEBDLP CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448826238 560201022 /nfs/dbraw/zinc/20/10/22/560201022.db2.gz ZCDKDUHKKQLZDR-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448826238 560201023 /nfs/dbraw/zinc/20/10/23/560201023.db2.gz ZCDKDUHKKQLZDR-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000448936947 560207718 /nfs/dbraw/zinc/20/77/18/560207718.db2.gz OJRFVZWSCYIQRX-MRXNPFEDSA-N 2 2 369.425 2.481 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989875 673527459 /nfs/dbraw/zinc/52/74/59/673527459.db2.gz LKEOZIUPBWWCJV-UHFFFAOYSA-N 2 2 350.463 2.133 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989875 673527462 /nfs/dbraw/zinc/52/74/62/673527462.db2.gz LKEOZIUPBWWCJV-UHFFFAOYSA-N 2 2 350.463 2.133 20 5 FEBDLP O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)c1 ZINC000125280373 543872212 /nfs/dbraw/zinc/87/22/12/543872212.db2.gz VQPDNLLUIQEGQJ-UHFFFAOYSA-N 2 2 366.381 2.362 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868346 326110046 /nfs/dbraw/zinc/11/00/46/326110046.db2.gz IZDBCXCIVDCMKN-UHFFFAOYSA-N 2 2 364.446 2.206 20 5 FEBDLP O=C(CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000156352487 545620961 /nfs/dbraw/zinc/62/09/61/545620961.db2.gz MIBHCNCWVPQFJK-OAHLLOKOSA-N 2 2 356.382 2.472 20 5 FEBDLP O=C(CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000156352487 545620962 /nfs/dbraw/zinc/62/09/62/545620962.db2.gz MIBHCNCWVPQFJK-OAHLLOKOSA-N 2 2 356.382 2.472 20 5 FEBDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827424 545983910 /nfs/dbraw/zinc/98/39/10/545983910.db2.gz PQUWCRPRGYSSIF-DLBZAZTESA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827424 545983917 /nfs/dbraw/zinc/98/39/17/545983917.db2.gz PQUWCRPRGYSSIF-DLBZAZTESA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827424 545983922 /nfs/dbraw/zinc/98/39/22/545983922.db2.gz PQUWCRPRGYSSIF-DLBZAZTESA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827424 545983927 /nfs/dbraw/zinc/98/39/27/545983927.db2.gz PQUWCRPRGYSSIF-DLBZAZTESA-N 2 2 362.474 2.343 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000182850996 547562009 /nfs/dbraw/zinc/56/20/09/547562009.db2.gz NUNJJZURVKYPKM-YJBOKZPZSA-N 2 2 360.458 2.203 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000182850996 547562012 /nfs/dbraw/zinc/56/20/12/547562012.db2.gz NUNJJZURVKYPKM-YJBOKZPZSA-N 2 2 360.458 2.203 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440757 548921127 /nfs/dbraw/zinc/92/11/27/548921127.db2.gz UWFYOGDQETUCJM-BBRMVZONSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440757 548921133 /nfs/dbraw/zinc/92/11/33/548921133.db2.gz UWFYOGDQETUCJM-BBRMVZONSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440757 548921136 /nfs/dbraw/zinc/92/11/36/548921136.db2.gz UWFYOGDQETUCJM-BBRMVZONSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440757 548921141 /nfs/dbraw/zinc/92/11/41/548921141.db2.gz UWFYOGDQETUCJM-BBRMVZONSA-N 2 2 364.446 2.204 20 5 FEBDLP C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247687148 549371750 /nfs/dbraw/zinc/37/17/50/549371750.db2.gz SGAHHYFCFUHKHK-QGPMSJSTSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247687148 549371753 /nfs/dbraw/zinc/37/17/53/549371753.db2.gz SGAHHYFCFUHKHK-QGPMSJSTSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706833 552848910 /nfs/dbraw/zinc/84/89/10/552848910.db2.gz LRKNROJAIOEZDJ-RDTXWAMCSA-N 2 2 370.453 2.247 20 5 FEBDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706833 552848911 /nfs/dbraw/zinc/84/89/11/552848911.db2.gz LRKNROJAIOEZDJ-RDTXWAMCSA-N 2 2 370.453 2.247 20 5 FEBDLP CCOc1cc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)ccc1[N+](=O)[O-] ZINC000297661700 553321792 /nfs/dbraw/zinc/32/17/92/553321792.db2.gz NZIWDBBDNYQQSZ-UHFFFAOYSA-N 2 2 359.430 2.092 20 5 FEBDLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332371394 554433758 /nfs/dbraw/zinc/43/37/58/554433758.db2.gz BCOXEHUYUOMCPD-RDJZCZTQSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332371394 554433761 /nfs/dbraw/zinc/43/37/61/554433761.db2.gz BCOXEHUYUOMCPD-RDJZCZTQSA-N 2 2 362.474 2.061 20 5 FEBDLP O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414027 555100108 /nfs/dbraw/zinc/10/01/08/555100108.db2.gz JGVNAQGTPCEILX-NJAFHUGGSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414027 555100109 /nfs/dbraw/zinc/10/01/09/555100109.db2.gz JGVNAQGTPCEILX-NJAFHUGGSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414027 555100111 /nfs/dbraw/zinc/10/01/11/555100111.db2.gz JGVNAQGTPCEILX-NJAFHUGGSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414027 555100113 /nfs/dbraw/zinc/10/01/13/555100113.db2.gz JGVNAQGTPCEILX-NJAFHUGGSA-N 2 2 359.426 2.377 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365621443 555624738 /nfs/dbraw/zinc/62/47/38/555624738.db2.gz DPZOFCSTPCOTDT-CYBMUJFWSA-N 2 2 373.413 2.155 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365621443 555624742 /nfs/dbraw/zinc/62/47/42/555624742.db2.gz DPZOFCSTPCOTDT-CYBMUJFWSA-N 2 2 373.413 2.155 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000369266386 556555592 /nfs/dbraw/zinc/55/55/92/556555592.db2.gz LRRDUFSHFFGFBY-CQSZACIVSA-N 2 2 373.457 2.060 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000369266386 556555595 /nfs/dbraw/zinc/55/55/95/556555595.db2.gz LRRDUFSHFFGFBY-CQSZACIVSA-N 2 2 373.457 2.060 20 5 FEBDLP C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000371334604 557150668 /nfs/dbraw/zinc/15/06/68/557150668.db2.gz HAYGBLFNUHERLE-WMLDXEAASA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000371334604 557150671 /nfs/dbraw/zinc/15/06/71/557150671.db2.gz HAYGBLFNUHERLE-WMLDXEAASA-N 2 2 350.438 2.192 20 5 FEBDLP CC[NH+]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000518609815 562115134 /nfs/dbraw/zinc/11/51/34/562115134.db2.gz OBBIZSQRYWZGRQ-KBPBESRZSA-N 2 2 357.414 2.335 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000373788034 557759306 /nfs/dbraw/zinc/75/93/06/557759306.db2.gz JTHBETSOCHUPDX-INIZCTEOSA-N 2 2 362.474 2.063 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000373788034 557759307 /nfs/dbraw/zinc/75/93/07/557759307.db2.gz JTHBETSOCHUPDX-INIZCTEOSA-N 2 2 362.474 2.063 20 5 FEBDLP CC(=O)c1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000376450855 558175055 /nfs/dbraw/zinc/17/50/55/558175055.db2.gz SGWCMZBDDGJRSG-AWEZNQCLSA-N 2 2 360.458 2.402 20 5 FEBDLP CC(=O)c1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000376450855 558175057 /nfs/dbraw/zinc/17/50/57/558175057.db2.gz SGWCMZBDDGJRSG-AWEZNQCLSA-N 2 2 360.458 2.402 20 5 FEBDLP Cc1c(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000378364645 558539592 /nfs/dbraw/zinc/53/95/92/558539592.db2.gz CYIYPLMHVPRMTG-OAHLLOKOSA-N 2 2 374.485 2.073 20 5 FEBDLP Cc1c(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000378364645 558539595 /nfs/dbraw/zinc/53/95/95/558539595.db2.gz CYIYPLMHVPRMTG-OAHLLOKOSA-N 2 2 374.485 2.073 20 5 FEBDLP Cc1c(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000378367410 558541073 /nfs/dbraw/zinc/54/10/73/558541073.db2.gz DKEIFLDTMPDISQ-CQSZACIVSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1c(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000378367410 558541075 /nfs/dbraw/zinc/54/10/75/558541075.db2.gz DKEIFLDTMPDISQ-CQSZACIVSA-N 2 2 360.458 2.144 20 5 FEBDLP C[NH+](C)C1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413176760 559085899 /nfs/dbraw/zinc/08/58/99/559085899.db2.gz UBMWEEOIICFPOK-UHFFFAOYSA-N 2 2 361.368 2.447 20 5 FEBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422006189 559560068 /nfs/dbraw/zinc/56/00/68/559560068.db2.gz LBMZHKNTGWRNFD-UHFFFAOYSA-N 2 2 360.458 2.227 20 5 FEBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422006189 559560069 /nfs/dbraw/zinc/56/00/69/559560069.db2.gz LBMZHKNTGWRNFD-UHFFFAOYSA-N 2 2 360.458 2.227 20 5 FEBDLP CCC[N@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431082645 559833642 /nfs/dbraw/zinc/83/36/42/559833642.db2.gz JTBIIPHFNPOZCU-UHFFFAOYSA-N 2 2 364.446 2.396 20 5 FEBDLP CCC[N@@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431082645 559833643 /nfs/dbraw/zinc/83/36/43/559833643.db2.gz JTBIIPHFNPOZCU-UHFFFAOYSA-N 2 2 364.446 2.396 20 5 FEBDLP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000431621858 559842707 /nfs/dbraw/zinc/84/27/07/559842707.db2.gz NOFCPDIUXAWAII-KRWDZBQOSA-N 2 2 368.393 2.032 20 5 FEBDLP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000431621858 559842708 /nfs/dbraw/zinc/84/27/08/559842708.db2.gz NOFCPDIUXAWAII-KRWDZBQOSA-N 2 2 368.393 2.032 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000447811544 560169726 /nfs/dbraw/zinc/16/97/26/560169726.db2.gz GDHTVMKHRQGSGX-OAHLLOKOSA-N 2 2 357.414 2.050 20 5 FEBDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498322 560231867 /nfs/dbraw/zinc/23/18/67/560231867.db2.gz LCKDFVNAPWVTHW-LJQANCHMSA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498322 560231868 /nfs/dbraw/zinc/23/18/68/560231868.db2.gz LCKDFVNAPWVTHW-LJQANCHMSA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498322 560231869 /nfs/dbraw/zinc/23/18/69/560231869.db2.gz LCKDFVNAPWVTHW-LJQANCHMSA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498322 560231870 /nfs/dbraw/zinc/23/18/70/560231870.db2.gz LCKDFVNAPWVTHW-LJQANCHMSA-N 2 2 374.485 2.361 20 5 FEBDLP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449884294 560244031 /nfs/dbraw/zinc/24/40/31/560244031.db2.gz OOZSODLSBWXBMG-HOCLYGCPSA-N 2 2 369.425 2.479 20 5 FEBDLP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449884294 560244032 /nfs/dbraw/zinc/24/40/32/560244032.db2.gz OOZSODLSBWXBMG-HOCLYGCPSA-N 2 2 369.425 2.479 20 5 FEBDLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450054527 560249467 /nfs/dbraw/zinc/24/94/67/560249467.db2.gz YAADDCSUPLKDJA-HZPDHXFCSA-N 2 2 369.425 2.479 20 5 FEBDLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450054527 560249468 /nfs/dbraw/zinc/24/94/68/560249468.db2.gz YAADDCSUPLKDJA-HZPDHXFCSA-N 2 2 369.425 2.479 20 5 FEBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450547764 560265784 /nfs/dbraw/zinc/26/57/84/560265784.db2.gz PCIXQFSVWBHKIB-INIZCTEOSA-N 2 2 374.485 2.348 20 5 FEBDLP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000450547764 560265785 /nfs/dbraw/zinc/26/57/85/560265785.db2.gz PCIXQFSVWBHKIB-INIZCTEOSA-N 2 2 374.485 2.348 20 5 FEBDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451102800 560287253 /nfs/dbraw/zinc/28/72/53/560287253.db2.gz LLTLEXDHMDVXSQ-HNNXBMFYSA-N 2 2 372.425 2.183 20 5 FEBDLP O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451223237 560294061 /nfs/dbraw/zinc/29/40/61/560294061.db2.gz QLEXAIKCIINOBY-UHFFFAOYSA-N 2 2 369.425 2.385 20 5 FEBDLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000451978740 560341791 /nfs/dbraw/zinc/34/17/91/560341791.db2.gz GATNZKCKFSVAGK-UHFFFAOYSA-N 2 2 356.417 2.379 20 5 FEBDLP C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000458221345 560609746 /nfs/dbraw/zinc/60/97/46/560609746.db2.gz ZMYUBENYBGQISP-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP C[N@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000458221345 560609747 /nfs/dbraw/zinc/60/97/47/560609747.db2.gz ZMYUBENYBGQISP-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000749990439 680093758 /nfs/dbraw/zinc/09/37/58/680093758.db2.gz VWQKMXWWGZIDRN-LBPRGKRZSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000749990439 680093762 /nfs/dbraw/zinc/09/37/62/680093762.db2.gz VWQKMXWWGZIDRN-LBPRGKRZSA-N 2 2 366.849 2.147 20 5 FEBDLP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717813 684139126 /nfs/dbraw/zinc/13/91/26/684139126.db2.gz PTVQRINVRSSAMR-MLGOLLRUSA-N 2 2 350.394 2.136 20 5 FEBDLP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717813 684139129 /nfs/dbraw/zinc/13/91/29/684139129.db2.gz PTVQRINVRSSAMR-MLGOLLRUSA-N 2 2 350.394 2.136 20 5 FEBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923518234 684296249 /nfs/dbraw/zinc/29/62/49/684296249.db2.gz DDBNLCXXHKOSTC-CMPLNLGQSA-N 2 2 357.357 2.246 20 5 FEBDLP COc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923518234 684296257 /nfs/dbraw/zinc/29/62/57/684296257.db2.gz DDBNLCXXHKOSTC-CMPLNLGQSA-N 2 2 357.357 2.246 20 5 FEBDLP Cc1c(NC(=O)[C@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000151161507 544511266 /nfs/dbraw/zinc/51/12/66/544511266.db2.gz WJUSPGUFMKPEKI-HNNXBMFYSA-N 2 2 369.425 2.447 20 5 FEBDLP O=C1[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109792964 325677574 /nfs/dbraw/zinc/67/75/74/325677574.db2.gz GJGLFTAQGZMASK-KRWDZBQOSA-N 2 2 355.398 2.234 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263809756 328964477 /nfs/dbraw/zinc/96/44/77/328964477.db2.gz MXGXPTSMVDJAPY-INIZCTEOSA-N 2 2 369.425 2.481 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965623 329277973 /nfs/dbraw/zinc/27/79/73/329277973.db2.gz XZYWCFGWRCLMQZ-GFCCVEGCSA-N 2 2 359.386 2.145 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965623 329277974 /nfs/dbraw/zinc/27/79/74/329277974.db2.gz XZYWCFGWRCLMQZ-GFCCVEGCSA-N 2 2 359.386 2.145 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182155246 547445483 /nfs/dbraw/zinc/44/54/83/547445483.db2.gz QPAGBKPFGVXSCH-MRXNPFEDSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182155246 547445485 /nfs/dbraw/zinc/44/54/85/547445485.db2.gz QPAGBKPFGVXSCH-MRXNPFEDSA-N 2 2 352.866 2.460 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781065 561452579 /nfs/dbraw/zinc/45/25/79/561452579.db2.gz ACFOLVFGCAZDTC-NVXWUHKLSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781065 561452580 /nfs/dbraw/zinc/45/25/80/561452580.db2.gz ACFOLVFGCAZDTC-NVXWUHKLSA-N 2 2 362.474 2.061 20 5 FEBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000271192403 550350699 /nfs/dbraw/zinc/35/06/99/550350699.db2.gz XUBOVBXONFXVKD-GJZGRUSLSA-N 2 2 352.504 2.301 20 5 FEBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000271192403 550350701 /nfs/dbraw/zinc/35/07/01/550350701.db2.gz XUBOVBXONFXVKD-GJZGRUSLSA-N 2 2 352.504 2.301 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285605575 551781805 /nfs/dbraw/zinc/78/18/05/551781805.db2.gz PUNVYBFHVBGXAB-LJQANCHMSA-N 2 2 355.442 2.389 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285605575 551781808 /nfs/dbraw/zinc/78/18/08/551781808.db2.gz PUNVYBFHVBGXAB-LJQANCHMSA-N 2 2 355.442 2.389 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285605575 551781810 /nfs/dbraw/zinc/78/18/10/551781810.db2.gz PUNVYBFHVBGXAB-LJQANCHMSA-N 2 2 355.442 2.389 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285605575 551781813 /nfs/dbraw/zinc/78/18/13/551781813.db2.gz PUNVYBFHVBGXAB-LJQANCHMSA-N 2 2 355.442 2.389 20 5 FEBDLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000364229615 555274363 /nfs/dbraw/zinc/27/43/63/555274363.db2.gz NSYODBQLBYBQIH-GASCZTMLSA-N 2 2 365.478 2.040 20 5 FEBDLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000364229615 555274368 /nfs/dbraw/zinc/27/43/68/555274368.db2.gz NSYODBQLBYBQIH-GASCZTMLSA-N 2 2 365.478 2.040 20 5 FEBDLP C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000370121531 556786479 /nfs/dbraw/zinc/78/64/79/556786479.db2.gz MSHMXYZOQFCOFC-AWEZNQCLSA-N 2 2 359.474 2.168 20 5 FEBDLP C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000370121531 556786481 /nfs/dbraw/zinc/78/64/81/556786481.db2.gz MSHMXYZOQFCOFC-AWEZNQCLSA-N 2 2 359.474 2.168 20 5 FEBDLP Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370818522 556977741 /nfs/dbraw/zinc/97/77/41/556977741.db2.gz GRTBVRMRKMRDFD-KRWDZBQOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370818522 556977742 /nfs/dbraw/zinc/97/77/42/556977742.db2.gz GRTBVRMRKMRDFD-KRWDZBQOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370847606 556989218 /nfs/dbraw/zinc/98/92/18/556989218.db2.gz ZWUOGFSWFLZLRF-INIZCTEOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370847606 556989221 /nfs/dbraw/zinc/98/92/21/556989221.db2.gz ZWUOGFSWFLZLRF-INIZCTEOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373098354 557628329 /nfs/dbraw/zinc/62/83/29/557628329.db2.gz IZTYURHEZIVGMO-CQSZACIVSA-N 2 2 357.414 2.455 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373098354 557628330 /nfs/dbraw/zinc/62/83/30/557628330.db2.gz IZTYURHEZIVGMO-CQSZACIVSA-N 2 2 357.414 2.455 20 5 FEBDLP C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C1CC[NH+](C)CC1 ZINC000374600048 557905085 /nfs/dbraw/zinc/90/50/85/557905085.db2.gz ABNSTEUYULFTHK-INIZCTEOSA-N 2 2 362.474 2.074 20 5 FEBDLP COC(=O)COc1ccc(C[NH2+]CC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000414859717 559191298 /nfs/dbraw/zinc/19/12/98/559191298.db2.gz NFOULDODMZLRLA-UHFFFAOYSA-N 2 2 365.430 2.288 20 5 FEBDLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415098156 559205143 /nfs/dbraw/zinc/20/51/43/559205143.db2.gz UZPMKALIEWLENW-QGZVFWFLSA-N 2 2 356.426 2.441 20 5 FEBDLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420365974 559483203 /nfs/dbraw/zinc/48/32/03/559483203.db2.gz TYJZYEQMFIBYHC-ICSRJNTNSA-N 2 2 355.438 2.490 20 5 FEBDLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420365974 559483204 /nfs/dbraw/zinc/48/32/04/559483204.db2.gz TYJZYEQMFIBYHC-ICSRJNTNSA-N 2 2 355.438 2.490 20 5 FEBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514739 560163615 /nfs/dbraw/zinc/16/36/15/560163615.db2.gz HJQMBACNDMKQFP-IXDOHACOSA-N 2 2 365.478 2.221 20 5 FEBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514739 560163616 /nfs/dbraw/zinc/16/36/16/560163616.db2.gz HJQMBACNDMKQFP-IXDOHACOSA-N 2 2 365.478 2.221 20 5 FEBDLP C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000447687738 560167126 /nfs/dbraw/zinc/16/71/26/560167126.db2.gz VHYBITCKLUAVCK-CYBMUJFWSA-N 2 2 358.446 2.076 20 5 FEBDLP C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000447687738 560167127 /nfs/dbraw/zinc/16/71/27/560167127.db2.gz VHYBITCKLUAVCK-CYBMUJFWSA-N 2 2 358.446 2.076 20 5 FEBDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448710215 560195740 /nfs/dbraw/zinc/19/57/40/560195740.db2.gz SSHRDCYLWPMAGX-HUUCEWRRSA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448710215 560195741 /nfs/dbraw/zinc/19/57/41/560195741.db2.gz SSHRDCYLWPMAGX-HUUCEWRRSA-N 2 2 355.398 2.137 20 5 FEBDLP C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000448917951 560206469 /nfs/dbraw/zinc/20/64/69/560206469.db2.gz OBFNSCKPIGKAQN-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000448917951 560206471 /nfs/dbraw/zinc/20/64/71/560206471.db2.gz OBFNSCKPIGKAQN-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000448959269 560208954 /nfs/dbraw/zinc/20/89/54/560208954.db2.gz DTTZHYQRJDINIZ-OAHLLOKOSA-N 2 2 355.398 2.089 20 5 FEBDLP CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000448959269 560208955 /nfs/dbraw/zinc/20/89/55/560208955.db2.gz DTTZHYQRJDINIZ-OAHLLOKOSA-N 2 2 355.398 2.089 20 5 FEBDLP COC(=O)COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713746 561102953 /nfs/dbraw/zinc/10/29/53/561102953.db2.gz KEPXMCPNHMCSHP-HIFRSBDPSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713746 561102954 /nfs/dbraw/zinc/10/29/54/561102954.db2.gz KEPXMCPNHMCSHP-HIFRSBDPSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713746 561102955 /nfs/dbraw/zinc/10/29/55/561102955.db2.gz KEPXMCPNHMCSHP-HIFRSBDPSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713746 561102956 /nfs/dbraw/zinc/10/29/56/561102956.db2.gz KEPXMCPNHMCSHP-HIFRSBDPSA-N 2 2 365.430 2.061 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000533866402 562520241 /nfs/dbraw/zinc/52/02/41/562520241.db2.gz DMVBHWIZNYIMKD-ZDUSSCGKSA-N 2 2 354.370 2.368 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000533866402 562520242 /nfs/dbraw/zinc/52/02/42/562520242.db2.gz DMVBHWIZNYIMKD-ZDUSSCGKSA-N 2 2 354.370 2.368 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461267 325091909 /nfs/dbraw/zinc/09/19/09/325091909.db2.gz YNYISEFPSMYXRS-RHSMWYFYSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461267 325091911 /nfs/dbraw/zinc/09/19/11/325091911.db2.gz YNYISEFPSMYXRS-RHSMWYFYSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461267 325091914 /nfs/dbraw/zinc/09/19/14/325091914.db2.gz YNYISEFPSMYXRS-RHSMWYFYSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461267 325091917 /nfs/dbraw/zinc/09/19/17/325091917.db2.gz YNYISEFPSMYXRS-RHSMWYFYSA-N 2 2 360.458 2.146 20 5 FEBDLP CC1CC[NH+](C[C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000090522706 325362186 /nfs/dbraw/zinc/36/21/86/325362186.db2.gz XLZNECSSIZNAFT-KRWDZBQOSA-N 2 2 362.474 2.200 20 5 FEBDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000090522706 325362188 /nfs/dbraw/zinc/36/21/88/325362188.db2.gz XLZNECSSIZNAFT-KRWDZBQOSA-N 2 2 362.474 2.200 20 5 FEBDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000266077961 329188258 /nfs/dbraw/zinc/18/82/58/329188258.db2.gz DBWLVOJQPKOYAI-GFCCVEGCSA-N 2 2 350.419 2.004 20 5 FEBDLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000178931107 546875893 /nfs/dbraw/zinc/87/58/93/546875893.db2.gz RSSBJORQGUUILE-KRWDZBQOSA-N 2 2 350.438 2.336 20 5 FEBDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000178931107 546875897 /nfs/dbraw/zinc/87/58/97/546875897.db2.gz RSSBJORQGUUILE-KRWDZBQOSA-N 2 2 350.438 2.336 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194201676 548448875 /nfs/dbraw/zinc/44/88/75/548448875.db2.gz OMUAPDQHDMXFSM-UHFFFAOYSA-N 2 2 354.326 2.374 20 5 FEBDLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245602201 548955874 /nfs/dbraw/zinc/95/58/74/548955874.db2.gz MOETYOGWRVILBU-ZTFGCOKTSA-N 2 2 369.425 2.480 20 5 FEBDLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245602201 548955876 /nfs/dbraw/zinc/95/58/76/548955876.db2.gz MOETYOGWRVILBU-ZTFGCOKTSA-N 2 2 369.425 2.480 20 5 FEBDLP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000247962846 549395125 /nfs/dbraw/zinc/39/51/25/549395125.db2.gz GKZUJQYCCQKUSZ-HZPDHXFCSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000247962846 549395128 /nfs/dbraw/zinc/39/51/28/549395128.db2.gz GKZUJQYCCQKUSZ-HZPDHXFCSA-N 2 2 369.425 2.337 20 5 FEBDLP Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269557494 550205958 /nfs/dbraw/zinc/20/59/58/550205958.db2.gz BPRSKRATHFYDEB-UHFFFAOYSA-N 2 2 368.397 2.448 20 5 FEBDLP COc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000497504787 561502392 /nfs/dbraw/zinc/50/23/92/561502392.db2.gz NLQOCGMJTALXAN-JWTNVVGKSA-N 2 2 374.485 2.346 20 5 FEBDLP COc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000497504787 561502393 /nfs/dbraw/zinc/50/23/93/561502393.db2.gz NLQOCGMJTALXAN-JWTNVVGKSA-N 2 2 374.485 2.346 20 5 FEBDLP COc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000497504787 561502394 /nfs/dbraw/zinc/50/23/94/561502394.db2.gz NLQOCGMJTALXAN-JWTNVVGKSA-N 2 2 374.485 2.346 20 5 FEBDLP COc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000497504787 561502395 /nfs/dbraw/zinc/50/23/95/561502395.db2.gz NLQOCGMJTALXAN-JWTNVVGKSA-N 2 2 374.485 2.346 20 5 FEBDLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287982330 552070750 /nfs/dbraw/zinc/07/07/50/552070750.db2.gz APHCXOAFHHURLN-GOEBONIOSA-N 2 2 369.425 2.479 20 5 FEBDLP CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000360535146 554878730 /nfs/dbraw/zinc/87/87/30/554878730.db2.gz ATDNIPZLYZHKMC-QGZVFWFLSA-N 2 2 361.446 2.227 20 5 FEBDLP CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000360535146 554878731 /nfs/dbraw/zinc/87/87/31/554878731.db2.gz ATDNIPZLYZHKMC-QGZVFWFLSA-N 2 2 361.446 2.227 20 5 FEBDLP COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367460842 556056799 /nfs/dbraw/zinc/05/67/99/556056799.db2.gz KMABUHPYFRDGQD-OAHLLOKOSA-N 2 2 362.474 2.346 20 5 FEBDLP COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367460842 556056800 /nfs/dbraw/zinc/05/68/00/556056800.db2.gz KMABUHPYFRDGQD-OAHLLOKOSA-N 2 2 362.474 2.346 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000367733862 556125814 /nfs/dbraw/zinc/12/58/14/556125814.db2.gz KIHRTQYGVGDBLW-NSHDSACASA-N 2 2 362.459 2.180 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000367733862 556125816 /nfs/dbraw/zinc/12/58/16/556125816.db2.gz KIHRTQYGVGDBLW-NSHDSACASA-N 2 2 362.459 2.180 20 5 FEBDLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000367766997 556134215 /nfs/dbraw/zinc/13/42/15/556134215.db2.gz HPYZUWGJEATBRJ-HNNXBMFYSA-N 2 2 350.438 2.193 20 5 FEBDLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000367766997 556134216 /nfs/dbraw/zinc/13/42/16/556134216.db2.gz HPYZUWGJEATBRJ-HNNXBMFYSA-N 2 2 350.438 2.193 20 5 FEBDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000369510526 556615476 /nfs/dbraw/zinc/61/54/76/556615476.db2.gz GLYWJNWYCHYYDU-INIZCTEOSA-N 2 2 369.425 2.474 20 5 FEBDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000369510526 556615478 /nfs/dbraw/zinc/61/54/78/556615478.db2.gz GLYWJNWYCHYYDU-INIZCTEOSA-N 2 2 369.425 2.474 20 5 FEBDLP C[C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424050040 559652623 /nfs/dbraw/zinc/65/26/23/559652623.db2.gz AULIIZAJEHJGTO-IPYPFGDCSA-N 2 2 357.414 2.226 20 5 FEBDLP C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448712258 560195913 /nfs/dbraw/zinc/19/59/13/560195913.db2.gz XXMCYFAZLYYTRT-AWEZNQCLSA-N 2 2 357.414 2.385 20 5 FEBDLP C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[N@@H+]1C1CC1 ZINC000450071310 560249942 /nfs/dbraw/zinc/24/99/42/560249942.db2.gz BBRQMQCOHBILMT-JSGCOSHPSA-N 2 2 355.398 2.136 20 5 FEBDLP C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[N@H+]1C1CC1 ZINC000450071310 560249943 /nfs/dbraw/zinc/24/99/43/560249943.db2.gz BBRQMQCOHBILMT-JSGCOSHPSA-N 2 2 355.398 2.136 20 5 FEBDLP COC(=O)COc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000475723531 561103547 /nfs/dbraw/zinc/10/35/47/561103547.db2.gz XPZWJCNHSMUBGG-UHFFFAOYSA-N 2 2 374.397 2.249 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312111 562555631 /nfs/dbraw/zinc/55/56/31/562555631.db2.gz CDWWTBPWKLVHGL-CHWSQXEVSA-N 2 2 373.413 2.153 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312111 562555632 /nfs/dbraw/zinc/55/56/32/562555632.db2.gz CDWWTBPWKLVHGL-CHWSQXEVSA-N 2 2 373.413 2.153 20 5 FEBDLP C[NH+](C)CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000581186700 671871290 /nfs/dbraw/zinc/87/12/90/671871290.db2.gz XBQRRWWZWFFSFK-INIZCTEOSA-N 2 2 371.503 2.325 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000582845667 672039402 /nfs/dbraw/zinc/03/94/02/672039402.db2.gz GPSJXANNMPHORU-WCFLWFBJSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000582845667 672039406 /nfs/dbraw/zinc/03/94/06/672039406.db2.gz GPSJXANNMPHORU-WCFLWFBJSA-N 2 2 352.822 2.246 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797479 540414931 /nfs/dbraw/zinc/41/49/31/540414931.db2.gz TXVQYWIEOYPMAV-UHFFFAOYSA-N 2 2 360.458 2.192 20 5 FEBDLP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000109751179 543336095 /nfs/dbraw/zinc/33/60/95/543336095.db2.gz BCLBKQIJJHGJQT-QGZVFWFLSA-N 2 2 362.474 2.205 20 5 FEBDLP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000109751179 543336098 /nfs/dbraw/zinc/33/60/98/543336098.db2.gz BCLBKQIJJHGJQT-QGZVFWFLSA-N 2 2 362.474 2.205 20 5 FEBDLP O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000153227106 544748709 /nfs/dbraw/zinc/74/87/09/544748709.db2.gz BTKVRZHIOZYGJA-UHFFFAOYSA-N 2 2 372.469 2.302 20 5 FEBDLP O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000153227106 544748713 /nfs/dbraw/zinc/74/87/13/544748713.db2.gz BTKVRZHIOZYGJA-UHFFFAOYSA-N 2 2 372.469 2.302 20 5 FEBDLP Cc1[nH+]ccn1CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000173021564 327230949 /nfs/dbraw/zinc/23/09/49/327230949.db2.gz FFLKVPYBBRWGCG-UHFFFAOYSA-N 2 2 368.397 2.496 20 5 FEBDLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000177447596 327522705 /nfs/dbraw/zinc/52/27/05/327522705.db2.gz KYULAVRWZZRKMH-CABCVRRESA-N 2 2 357.414 2.383 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000479781794 561196907 /nfs/dbraw/zinc/19/69/07/561196907.db2.gz NOKRYSLRZSVOAQ-UHFFFAOYSA-N 2 2 372.425 2.393 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000479781794 561196908 /nfs/dbraw/zinc/19/69/08/561196908.db2.gz NOKRYSLRZSVOAQ-UHFFFAOYSA-N 2 2 372.425 2.393 20 5 FEBDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182746209 547545187 /nfs/dbraw/zinc/54/51/87/547545187.db2.gz XDYUUJRITHKEBE-INIZCTEOSA-N 2 2 362.474 2.450 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000261781760 549754898 /nfs/dbraw/zinc/75/48/98/549754898.db2.gz UCPIQBTYLFJNFD-INIZCTEOSA-N 2 2 359.373 2.418 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000261781760 549754900 /nfs/dbraw/zinc/75/49/00/549754900.db2.gz UCPIQBTYLFJNFD-INIZCTEOSA-N 2 2 359.373 2.418 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285713943 551799939 /nfs/dbraw/zinc/79/99/39/551799939.db2.gz SMPYOMPPSDCSMC-UHFFFAOYSA-N 2 2 356.417 2.331 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285713943 551799941 /nfs/dbraw/zinc/79/99/41/551799941.db2.gz SMPYOMPPSDCSMC-UHFFFAOYSA-N 2 2 356.417 2.331 20 5 FEBDLP O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000286068394 551845012 /nfs/dbraw/zinc/84/50/12/551845012.db2.gz SBTCZOWIBOCPPB-UHFFFAOYSA-N 2 2 355.385 2.417 20 5 FEBDLP COc1ccc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332332444 554427248 /nfs/dbraw/zinc/42/72/48/554427248.db2.gz CCCHEOCJGHHSJH-OAHLLOKOSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332332444 554427252 /nfs/dbraw/zinc/42/72/52/554427252.db2.gz CCCHEOCJGHHSJH-OAHLLOKOSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332332444 554427255 /nfs/dbraw/zinc/42/72/55/554427255.db2.gz CCCHEOCJGHHSJH-OAHLLOKOSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332332444 554427260 /nfs/dbraw/zinc/42/72/60/554427260.db2.gz CCCHEOCJGHHSJH-OAHLLOKOSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332332443 554427400 /nfs/dbraw/zinc/42/74/00/554427400.db2.gz CCCHEOCJGHHSJH-HNNXBMFYSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332332443 554427406 /nfs/dbraw/zinc/42/74/06/554427406.db2.gz CCCHEOCJGHHSJH-HNNXBMFYSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332332443 554427410 /nfs/dbraw/zinc/42/74/10/554427410.db2.gz CCCHEOCJGHHSJH-HNNXBMFYSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332332443 554427415 /nfs/dbraw/zinc/42/74/15/554427415.db2.gz CCCHEOCJGHHSJH-HNNXBMFYSA-N 2 2 362.474 2.204 20 5 FEBDLP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367292870 556009936 /nfs/dbraw/zinc/00/99/36/556009936.db2.gz WEZAWJVQAMKJIN-MRXNPFEDSA-N 2 2 350.438 2.193 20 5 FEBDLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367292870 556009939 /nfs/dbraw/zinc/00/99/39/556009939.db2.gz WEZAWJVQAMKJIN-MRXNPFEDSA-N 2 2 350.438 2.193 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274702 556560218 /nfs/dbraw/zinc/56/02/18/556560218.db2.gz RJUCBKMPDJSCMV-ZDUSSCGKSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274702 556560219 /nfs/dbraw/zinc/56/02/19/556560219.db2.gz RJUCBKMPDJSCMV-ZDUSSCGKSA-N 2 2 366.849 2.147 20 5 FEBDLP CCn1cc[nH+]c1CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370157819 556796865 /nfs/dbraw/zinc/79/68/65/556796865.db2.gz ANAQYADLBSVTDJ-CQSZACIVSA-N 2 2 373.413 2.189 20 5 FEBDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371284767 557131385 /nfs/dbraw/zinc/13/13/85/557131385.db2.gz UTMBYGBYNAOSHG-HNNXBMFYSA-N 2 2 359.430 2.241 20 5 FEBDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371284767 557131387 /nfs/dbraw/zinc/13/13/87/557131387.db2.gz UTMBYGBYNAOSHG-HNNXBMFYSA-N 2 2 359.430 2.241 20 5 FEBDLP Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000375501791 558038973 /nfs/dbraw/zinc/03/89/73/558038973.db2.gz HDJCIBIABCEOSZ-WPKBUWHJSA-N 2 2 357.414 2.307 20 5 FEBDLP COc1cc(C[NH2+]C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414779751 559187131 /nfs/dbraw/zinc/18/71/31/559187131.db2.gz ANIMOXDBRVDMKE-UHFFFAOYSA-N 2 2 363.336 2.386 20 5 FEBDLP COC(=O)COc1ccc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000414925308 559195454 /nfs/dbraw/zinc/19/54/54/559195454.db2.gz IOZAPSPDNPPUNA-MRXNPFEDSA-N 2 2 365.430 2.014 20 5 FEBDLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000415137225 559207835 /nfs/dbraw/zinc/20/78/35/559207835.db2.gz YAUHSUXYABAMFR-AWEZNQCLSA-N 2 2 350.810 2.136 20 5 FEBDLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000415137225 559207837 /nfs/dbraw/zinc/20/78/37/559207837.db2.gz YAUHSUXYABAMFR-AWEZNQCLSA-N 2 2 350.810 2.136 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420411950 559486478 /nfs/dbraw/zinc/48/64/78/559486478.db2.gz YVJBCSUJYJHYOU-CJNGLKHVSA-N 2 2 362.430 2.006 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420411950 559486479 /nfs/dbraw/zinc/48/64/79/559486479.db2.gz YVJBCSUJYJHYOU-CJNGLKHVSA-N 2 2 362.430 2.006 20 5 FEBDLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430239607 559815903 /nfs/dbraw/zinc/81/59/03/559815903.db2.gz KVOQEKYHSWAIMS-UHFFFAOYSA-N 2 2 358.398 2.329 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430596887 559824269 /nfs/dbraw/zinc/82/42/69/559824269.db2.gz XYIVAMXKQCSQNI-WFASDCNBSA-N 2 2 350.419 2.134 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430596887 559824270 /nfs/dbraw/zinc/82/42/70/559824270.db2.gz XYIVAMXKQCSQNI-WFASDCNBSA-N 2 2 350.419 2.134 20 5 FEBDLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000430635611 559825287 /nfs/dbraw/zinc/82/52/87/559825287.db2.gz VUVGLLMMSHWIIJ-MRXNPFEDSA-N 2 2 357.414 2.289 20 5 FEBDLP COc1cc(C[N@H+](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380860 559921779 /nfs/dbraw/zinc/92/17/79/559921779.db2.gz UCUFLSQMKSHHTM-UHFFFAOYSA-N 2 2 359.373 2.431 20 5 FEBDLP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380860 559921780 /nfs/dbraw/zinc/92/17/80/559921780.db2.gz UCUFLSQMKSHHTM-UHFFFAOYSA-N 2 2 359.373 2.431 20 5 FEBDLP C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000447687739 560167213 /nfs/dbraw/zinc/16/72/13/560167213.db2.gz VHYBITCKLUAVCK-ZDUSSCGKSA-N 2 2 358.446 2.076 20 5 FEBDLP C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000447687739 560167214 /nfs/dbraw/zinc/16/72/14/560167214.db2.gz VHYBITCKLUAVCK-ZDUSSCGKSA-N 2 2 358.446 2.076 20 5 FEBDLP C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448710772 560195865 /nfs/dbraw/zinc/19/58/65/560195865.db2.gz VBCNGHVDEOFPNO-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448726840 560196713 /nfs/dbraw/zinc/19/67/13/560196713.db2.gz VGXFBQYRPPQKHP-CABCVRRESA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448726840 560196714 /nfs/dbraw/zinc/19/67/14/560196714.db2.gz VGXFBQYRPPQKHP-CABCVRRESA-N 2 2 355.398 2.137 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000530463733 562412340 /nfs/dbraw/zinc/41/23/40/562412340.db2.gz HTXXXYUELVYIPS-KRWDZBQOSA-N 2 2 360.458 2.102 20 5 FEBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000820827217 675391647 /nfs/dbraw/zinc/39/16/47/675391647.db2.gz KUNDUZULDYFVAF-UHFFFAOYSA-N 2 2 357.842 2.253 20 5 FEBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000820827217 675391651 /nfs/dbraw/zinc/39/16/51/675391651.db2.gz KUNDUZULDYFVAF-UHFFFAOYSA-N 2 2 357.842 2.253 20 5 FEBDLP COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000771203594 681046744 /nfs/dbraw/zinc/04/67/44/681046744.db2.gz HNJJGEGSRBPQDC-GFCCVEGCSA-N 2 2 352.410 2.323 20 5 FEBDLP COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000771203594 681046747 /nfs/dbraw/zinc/04/67/47/681046747.db2.gz HNJJGEGSRBPQDC-GFCCVEGCSA-N 2 2 352.410 2.323 20 5 FEBDLP O=[N+]([O-])c1cnn(C2CC([NH2+]CC3([NH+]4CCSCC4)CCCC3)C2)c1 ZINC000876928431 686296491 /nfs/dbraw/zinc/29/64/91/686296491.db2.gz DONOZTFRGSZKET-UHFFFAOYSA-N 2 2 365.503 2.446 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(Nc3nc4sccn4c3[N+](=O)[O-])CC2)CC1 ZINC000050954511 540416564 /nfs/dbraw/zinc/41/65/64/540416564.db2.gz LBNFKFJQYYPZIH-UHFFFAOYSA-N 2 2 364.475 2.275 20 5 FEBDLP C[NH+](C)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000056528027 540732246 /nfs/dbraw/zinc/73/22/46/540732246.db2.gz AVIFWRDVAGLLKA-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000058299250 540838496 /nfs/dbraw/zinc/83/84/96/540838496.db2.gz HLXYHVPFYFBCHK-GJZGRUSLSA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000058299250 540838498 /nfs/dbraw/zinc/83/84/98/540838498.db2.gz HLXYHVPFYFBCHK-GJZGRUSLSA-N 2 2 355.398 2.137 20 5 FEBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000139964271 544406300 /nfs/dbraw/zinc/40/63/00/544406300.db2.gz MANYGCVNZMMOLW-FHLIZLRMSA-N 2 2 358.442 2.116 20 5 FEBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000139964271 544406301 /nfs/dbraw/zinc/40/63/01/544406301.db2.gz MANYGCVNZMMOLW-FHLIZLRMSA-N 2 2 358.442 2.116 20 5 FEBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000139964271 544406304 /nfs/dbraw/zinc/40/63/04/544406304.db2.gz MANYGCVNZMMOLW-FHLIZLRMSA-N 2 2 358.442 2.116 20 5 FEBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000139964271 544406307 /nfs/dbraw/zinc/40/63/07/544406307.db2.gz MANYGCVNZMMOLW-FHLIZLRMSA-N 2 2 358.442 2.116 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000116399661 326011100 /nfs/dbraw/zinc/01/11/00/326011100.db2.gz HEOLQLOZLFJUHF-INIZCTEOSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000116399661 326011102 /nfs/dbraw/zinc/01/11/02/326011102.db2.gz HEOLQLOZLFJUHF-INIZCTEOSA-N 2 2 352.866 2.460 20 5 FEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156327785 545618469 /nfs/dbraw/zinc/61/84/69/545618469.db2.gz ZBHAFOPDQHRIEK-GUYCJALGSA-N 2 2 356.382 2.470 20 5 FEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156327785 545618471 /nfs/dbraw/zinc/61/84/71/545618471.db2.gz ZBHAFOPDQHRIEK-GUYCJALGSA-N 2 2 356.382 2.470 20 5 FEBDLP C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713741 548024357 /nfs/dbraw/zinc/02/43/57/548024357.db2.gz CGMHOIPNDCUPHO-CZUORRHYSA-N 2 2 360.458 2.436 20 5 FEBDLP C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713741 548024360 /nfs/dbraw/zinc/02/43/60/548024360.db2.gz CGMHOIPNDCUPHO-CZUORRHYSA-N 2 2 360.458 2.436 20 5 FEBDLP O=[N+]([O-])c1cc(I)cc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000290040688 552418141 /nfs/dbraw/zinc/41/81/41/552418141.db2.gz WKPGZNDEBJWOPS-UHFFFAOYSA-N 2 2 372.166 2.186 20 5 FEBDLP Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332561849 554471772 /nfs/dbraw/zinc/47/17/72/554471772.db2.gz VPAOZSFNHPHABH-UHFFFAOYSA-N 2 2 360.458 2.192 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362080673 554948673 /nfs/dbraw/zinc/94/86/73/554948673.db2.gz SZWXFCDVFWVRHJ-YJBOKZPZSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362080673 554948674 /nfs/dbraw/zinc/94/86/74/554948674.db2.gz SZWXFCDVFWVRHJ-YJBOKZPZSA-N 2 2 362.474 2.061 20 5 FEBDLP C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000364386766 555303862 /nfs/dbraw/zinc/30/38/62/555303862.db2.gz RRKPNOCXHSUATC-CYBMUJFWSA-N 2 2 363.418 2.108 20 5 FEBDLP C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000364386766 555303864 /nfs/dbraw/zinc/30/38/64/555303864.db2.gz RRKPNOCXHSUATC-CYBMUJFWSA-N 2 2 363.418 2.108 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368692216 556386913 /nfs/dbraw/zinc/38/69/13/556386913.db2.gz MFQRWYVJYHXCDA-IAGOWNOFSA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368692216 556386915 /nfs/dbraw/zinc/38/69/15/556386915.db2.gz MFQRWYVJYHXCDA-IAGOWNOFSA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368692216 556386917 /nfs/dbraw/zinc/38/69/17/556386917.db2.gz MFQRWYVJYHXCDA-IAGOWNOFSA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368692216 556386919 /nfs/dbraw/zinc/38/69/19/556386919.db2.gz MFQRWYVJYHXCDA-IAGOWNOFSA-N 2 2 355.442 2.282 20 5 FEBDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938189 562066241 /nfs/dbraw/zinc/06/62/41/562066241.db2.gz UAJIPUVXMSWAKY-WMZOPIPTSA-N 2 2 360.458 2.114 20 5 FEBDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938189 562066242 /nfs/dbraw/zinc/06/62/42/562066242.db2.gz UAJIPUVXMSWAKY-WMZOPIPTSA-N 2 2 360.458 2.114 20 5 FEBDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000371334603 557150660 /nfs/dbraw/zinc/15/06/60/557150660.db2.gz HAYGBLFNUHERLE-RHSMWYFYSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000371334603 557150662 /nfs/dbraw/zinc/15/06/62/557150662.db2.gz HAYGBLFNUHERLE-RHSMWYFYSA-N 2 2 350.438 2.192 20 5 FEBDLP Cc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371469455 557190849 /nfs/dbraw/zinc/19/08/49/557190849.db2.gz FMDMGNPGMAGDFT-HNNXBMFYSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371469455 557190851 /nfs/dbraw/zinc/19/08/51/557190851.db2.gz FMDMGNPGMAGDFT-HNNXBMFYSA-N 2 2 360.458 2.144 20 5 FEBDLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047413 557365379 /nfs/dbraw/zinc/36/53/79/557365379.db2.gz QNIPERXCKYSECA-IEBWSBKVSA-N 2 2 362.474 2.042 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000373788035 557759276 /nfs/dbraw/zinc/75/92/76/557759276.db2.gz JTHBETSOCHUPDX-MRXNPFEDSA-N 2 2 362.474 2.063 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000373788035 557759277 /nfs/dbraw/zinc/75/92/77/557759277.db2.gz JTHBETSOCHUPDX-MRXNPFEDSA-N 2 2 362.474 2.063 20 5 FEBDLP C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378345118 558535023 /nfs/dbraw/zinc/53/50/23/558535023.db2.gz HFZKAGMHOFHUBI-CQSZACIVSA-N 2 2 361.446 2.227 20 5 FEBDLP C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378345118 558535025 /nfs/dbraw/zinc/53/50/25/558535025.db2.gz HFZKAGMHOFHUBI-CQSZACIVSA-N 2 2 361.446 2.227 20 5 FEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420373287 559483792 /nfs/dbraw/zinc/48/37/92/559483792.db2.gz FYZBYQBHVPOBIB-KRWDZBQOSA-N 2 2 374.445 2.269 20 5 FEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420373287 559483793 /nfs/dbraw/zinc/48/37/93/559483793.db2.gz FYZBYQBHVPOBIB-KRWDZBQOSA-N 2 2 374.445 2.269 20 5 FEBDLP CN(CC1([NH+](C)C)CCC1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447813861 560169954 /nfs/dbraw/zinc/16/99/54/560169954.db2.gz VCXKRKTXUVJFPN-UHFFFAOYSA-N 2 2 362.474 2.348 20 5 FEBDLP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448691402 560194563 /nfs/dbraw/zinc/19/45/63/560194563.db2.gz QGNNFGIJEDGPDC-AWEZNQCLSA-N 2 2 357.414 2.385 20 5 FEBDLP CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000448973292 560209876 /nfs/dbraw/zinc/20/98/76/560209876.db2.gz ZWEYMIZYSXCINH-HNNXBMFYSA-N 2 2 359.430 2.487 20 5 FEBDLP CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000470673092 560987119 /nfs/dbraw/zinc/98/71/19/560987119.db2.gz FGAVOXJQULAHNT-HNNXBMFYSA-N 2 2 357.414 2.383 20 5 FEBDLP CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000470673092 560987120 /nfs/dbraw/zinc/98/71/20/560987120.db2.gz FGAVOXJQULAHNT-HNNXBMFYSA-N 2 2 357.414 2.383 20 5 FEBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261985335 672906867 /nfs/dbraw/zinc/90/68/67/672906867.db2.gz JSAIKZUHRNRIQK-ZDUSSCGKSA-N 2 2 354.838 2.068 20 5 FEBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261985335 672906872 /nfs/dbraw/zinc/90/68/72/672906872.db2.gz JSAIKZUHRNRIQK-ZDUSSCGKSA-N 2 2 354.838 2.068 20 5 FEBDLP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1[N+](=O)[O-] ZINC000154251448 544881741 /nfs/dbraw/zinc/88/17/41/544881741.db2.gz JNGFOWGCFDAWQQ-JWTNVVGKSA-N 2 2 372.469 2.286 20 5 FEBDLP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1[N+](=O)[O-] ZINC000154251448 544881743 /nfs/dbraw/zinc/88/17/43/544881743.db2.gz JNGFOWGCFDAWQQ-JWTNVVGKSA-N 2 2 372.469 2.286 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000182744741 327787235 /nfs/dbraw/zinc/78/72/35/327787235.db2.gz AVQJQGJMGVIQQE-INIZCTEOSA-N 2 2 360.458 2.204 20 5 FEBDLP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000134395921 326624854 /nfs/dbraw/zinc/62/48/54/326624854.db2.gz YVXWZHGPAXVODY-UHFFFAOYSA-N 2 2 370.457 2.162 20 5 FEBDLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000171387327 327136071 /nfs/dbraw/zinc/13/60/71/327136071.db2.gz YKGZJNBFVQEEHW-UHFFFAOYSA-N 2 2 372.469 2.292 20 5 FEBDLP C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172619134 327211948 /nfs/dbraw/zinc/21/19/48/327211948.db2.gz QRLHOJNGJVEREI-DZGCQCFKSA-N 2 2 357.414 2.335 20 5 FEBDLP C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000172619134 327211949 /nfs/dbraw/zinc/21/19/49/327211949.db2.gz QRLHOJNGJVEREI-DZGCQCFKSA-N 2 2 357.414 2.335 20 5 FEBDLP C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371458484 330244003 /nfs/dbraw/zinc/24/40/03/330244003.db2.gz KTMLABUIIYZXSR-MOEXGYKKSA-N 2 2 372.469 2.235 20 5 FEBDLP C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371458484 330244005 /nfs/dbraw/zinc/24/40/05/330244005.db2.gz KTMLABUIIYZXSR-MOEXGYKKSA-N 2 2 372.469 2.235 20 5 FEBDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000155311363 545509106 /nfs/dbraw/zinc/50/91/06/545509106.db2.gz DPLLELFJWDJJSF-NVXWUHKLSA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000155311363 545509109 /nfs/dbraw/zinc/50/91/09/545509109.db2.gz DPLLELFJWDJJSF-NVXWUHKLSA-N 2 2 362.474 2.497 20 5 FEBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000159805980 545981533 /nfs/dbraw/zinc/98/15/33/545981533.db2.gz HUAHMCMYZBRFFL-QGZVFWFLSA-N 2 2 362.474 2.345 20 5 FEBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000159805980 545981535 /nfs/dbraw/zinc/98/15/35/545981535.db2.gz HUAHMCMYZBRFFL-QGZVFWFLSA-N 2 2 362.474 2.345 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000299640215 553594277 /nfs/dbraw/zinc/59/42/77/553594277.db2.gz IKNVJQOZFYVOMA-UHFFFAOYSA-N 2 2 364.421 2.022 20 5 FEBDLP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000332381720 554435466 /nfs/dbraw/zinc/43/54/66/554435466.db2.gz HEPIGTYIOOJQNC-KSSFIOAISA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000332381720 554435469 /nfs/dbraw/zinc/43/54/69/554435469.db2.gz HEPIGTYIOOJQNC-KSSFIOAISA-N 2 2 350.438 2.192 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000361153630 554906752 /nfs/dbraw/zinc/90/67/52/554906752.db2.gz JJAGIKPQWHVNQE-CQSZACIVSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000361153630 554906753 /nfs/dbraw/zinc/90/67/53/554906753.db2.gz JJAGIKPQWHVNQE-CQSZACIVSA-N 2 2 366.849 2.147 20 5 FEBDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)[nH+]1 ZINC000372346172 557445983 /nfs/dbraw/zinc/44/59/83/557445983.db2.gz MIFHWLOIXMQATD-OAHLLOKOSA-N 2 2 357.414 2.036 20 5 FEBDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)[nH+]1 ZINC000372346172 557445987 /nfs/dbraw/zinc/44/59/87/557445987.db2.gz MIFHWLOIXMQATD-OAHLLOKOSA-N 2 2 357.414 2.036 20 5 FEBDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)[nH+]1 ZINC000372346168 557446175 /nfs/dbraw/zinc/44/61/75/557446175.db2.gz MIFHWLOIXMQATD-HNNXBMFYSA-N 2 2 357.414 2.036 20 5 FEBDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)[nH+]1 ZINC000372346168 557446179 /nfs/dbraw/zinc/44/61/79/557446179.db2.gz MIFHWLOIXMQATD-HNNXBMFYSA-N 2 2 357.414 2.036 20 5 FEBDLP O=C1[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374206934 557843308 /nfs/dbraw/zinc/84/33/08/557843308.db2.gz GSUFFIMZIPWSCD-QGZVFWFLSA-N 2 2 355.398 2.303 20 5 FEBDLP C[N@@H+]1CCCC12CCN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CC2 ZINC000374902264 557948427 /nfs/dbraw/zinc/94/84/27/557948427.db2.gz XTEWRACXUMAHER-UHFFFAOYSA-N 2 2 369.425 2.481 20 5 FEBDLP C[N@H+]1CCCC12CCN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CC2 ZINC000374902264 557948428 /nfs/dbraw/zinc/94/84/28/557948428.db2.gz XTEWRACXUMAHER-UHFFFAOYSA-N 2 2 369.425 2.481 20 5 FEBDLP CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378073178 558475197 /nfs/dbraw/zinc/47/51/97/558475197.db2.gz FRYMABGIXKFSIT-LJQANCHMSA-N 2 2 374.485 2.154 20 5 FEBDLP CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378073178 558475199 /nfs/dbraw/zinc/47/51/99/558475199.db2.gz FRYMABGIXKFSIT-LJQANCHMSA-N 2 2 374.485 2.154 20 5 FEBDLP COc1ccc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420361154 559482949 /nfs/dbraw/zinc/48/29/49/559482949.db2.gz MTCMIXVASKEQJG-OAHLLOKOSA-N 2 2 350.419 2.039 20 5 FEBDLP CCOc1ccc(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420368363 559483486 /nfs/dbraw/zinc/48/34/86/559483486.db2.gz WQUMLBCOPLFUPQ-INIZCTEOSA-N 2 2 364.446 2.429 20 5 FEBDLP C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000425391675 559699635 /nfs/dbraw/zinc/69/96/35/559699635.db2.gz DYASYNIDNUUDAH-UHFFFAOYSA-N 2 2 372.263 2.246 20 5 FEBDLP C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000425391675 559699636 /nfs/dbraw/zinc/69/96/36/559699636.db2.gz DYASYNIDNUUDAH-UHFFFAOYSA-N 2 2 372.263 2.246 20 5 FEBDLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449931146 560245593 /nfs/dbraw/zinc/24/55/93/560245593.db2.gz NWWPSJHCIVUFDP-DZGCQCFKSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449931146 560245594 /nfs/dbraw/zinc/24/55/94/560245594.db2.gz NWWPSJHCIVUFDP-DZGCQCFKSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762735 684583217 /nfs/dbraw/zinc/58/32/17/684583217.db2.gz NRPDIEALXYJFCF-GWCFXTLKSA-N 2 2 358.236 2.214 20 5 FEBDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109755338 543336683 /nfs/dbraw/zinc/33/66/83/543336683.db2.gz DBHVAVLQPHGZDZ-SFHVURJKSA-N 2 2 362.474 2.076 20 5 FEBDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109755338 543336686 /nfs/dbraw/zinc/33/66/86/543336686.db2.gz DBHVAVLQPHGZDZ-SFHVURJKSA-N 2 2 362.474 2.076 20 5 FEBDLP Cc1c(NC(=O)[C@@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000151161452 544511467 /nfs/dbraw/zinc/51/14/67/544511467.db2.gz WJUSPGUFMKPEKI-OAHLLOKOSA-N 2 2 369.425 2.447 20 5 FEBDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000153235287 544749728 /nfs/dbraw/zinc/74/97/28/544749728.db2.gz RDXLSWSGZAQYNL-QAPCUYQASA-N 2 2 363.458 2.283 20 5 FEBDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000153235287 544749732 /nfs/dbraw/zinc/74/97/32/544749732.db2.gz RDXLSWSGZAQYNL-QAPCUYQASA-N 2 2 363.458 2.283 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000118999009 326117112 /nfs/dbraw/zinc/11/71/12/326117112.db2.gz VPRYIPKTLMXFLJ-AWEZNQCLSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000118999009 326117114 /nfs/dbraw/zinc/11/71/14/326117114.db2.gz VPRYIPKTLMXFLJ-AWEZNQCLSA-N 2 2 352.866 2.460 20 5 FEBDLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000483218971 561271015 /nfs/dbraw/zinc/27/10/15/561271015.db2.gz IYRTYZFXQYFWJZ-UHFFFAOYSA-N 2 2 358.398 2.329 20 5 FEBDLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287117781 551965685 /nfs/dbraw/zinc/96/56/85/551965685.db2.gz MBNLOWPSFXPFKB-ZBFHGGJFSA-N 2 2 369.425 2.479 20 5 FEBDLP Cc1cc[nH+]cc1N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501928063 561608132 /nfs/dbraw/zinc/60/81/32/561608132.db2.gz MVMOQQXKUSVYNB-UHFFFAOYSA-N 2 2 369.425 2.449 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000369266384 556555961 /nfs/dbraw/zinc/55/59/61/556555961.db2.gz LRRDUFSHFFGFBY-AWEZNQCLSA-N 2 2 373.457 2.060 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000369266384 556555967 /nfs/dbraw/zinc/55/59/67/556555967.db2.gz LRRDUFSHFFGFBY-AWEZNQCLSA-N 2 2 373.457 2.060 20 5 FEBDLP Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000370819168 556978688 /nfs/dbraw/zinc/97/86/88/556978688.db2.gz JHCARHHVTLFGRP-INIZCTEOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000370819168 556978691 /nfs/dbraw/zinc/97/86/91/556978691.db2.gz JHCARHHVTLFGRP-INIZCTEOSA-N 2 2 360.458 2.144 20 5 FEBDLP COc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000374206469 557843324 /nfs/dbraw/zinc/84/33/24/557843324.db2.gz DXCATGMGIFNTJT-UHFFFAOYSA-N 2 2 359.386 2.145 20 5 FEBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307768 559356780 /nfs/dbraw/zinc/35/67/80/559356780.db2.gz HGNSSBISLWQVJY-MSOLQXFVSA-N 2 2 360.458 2.292 20 5 FEBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307768 559356781 /nfs/dbraw/zinc/35/67/81/559356781.db2.gz HGNSSBISLWQVJY-MSOLQXFVSA-N 2 2 360.458 2.292 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000420317299 559480087 /nfs/dbraw/zinc/48/00/87/559480087.db2.gz ZIIZUFNZFHVAGL-VHRBIJSZSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000420317299 559480088 /nfs/dbraw/zinc/48/00/88/559480088.db2.gz ZIIZUFNZFHVAGL-VHRBIJSZSA-N 2 2 352.822 2.246 20 5 FEBDLP CCOc1ccc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420368364 559483493 /nfs/dbraw/zinc/48/34/93/559483493.db2.gz WQUMLBCOPLFUPQ-MRXNPFEDSA-N 2 2 364.446 2.429 20 5 FEBDLP Cn1cc[nH+]c1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC12CC[NH2+]CC2 ZINC000435684913 559928109 /nfs/dbraw/zinc/92/81/09/559928109.db2.gz WYYGIARPGLVHCR-KRWDZBQOSA-N 2 2 355.442 2.473 20 5 FEBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000436057121 559934391 /nfs/dbraw/zinc/93/43/91/559934391.db2.gz UXROEKTWIOPRNR-CQSZACIVSA-N 2 2 354.838 2.068 20 5 FEBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000436057121 559934392 /nfs/dbraw/zinc/93/43/92/559934392.db2.gz UXROEKTWIOPRNR-CQSZACIVSA-N 2 2 354.838 2.068 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000447807450 560169556 /nfs/dbraw/zinc/16/95/56/560169556.db2.gz ROBVXLRIEMPJGV-SJORKVTESA-N 2 2 360.458 2.466 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000447807450 560169557 /nfs/dbraw/zinc/16/95/57/560169557.db2.gz ROBVXLRIEMPJGV-SJORKVTESA-N 2 2 360.458 2.466 20 5 FEBDLP CC1=CC[N@H+](CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447819336 560170009 /nfs/dbraw/zinc/17/00/09/560170009.db2.gz ZIMDLEGSBBMCRE-UHFFFAOYSA-N 2 2 360.458 2.491 20 5 FEBDLP CC1=CC[N@@H+](CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447819336 560170010 /nfs/dbraw/zinc/17/00/10/560170010.db2.gz ZIMDLEGSBBMCRE-UHFFFAOYSA-N 2 2 360.458 2.491 20 5 FEBDLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449914501 560245178 /nfs/dbraw/zinc/24/51/78/560245178.db2.gz VHADCFSAXBDMBA-KRWDZBQOSA-N 2 2 357.414 2.193 20 5 FEBDLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449914501 560245179 /nfs/dbraw/zinc/24/51/79/560245179.db2.gz VHADCFSAXBDMBA-KRWDZBQOSA-N 2 2 357.414 2.193 20 5 FEBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471170102 560999619 /nfs/dbraw/zinc/99/96/19/560999619.db2.gz SSEMKUIAVIZWRU-CYBMUJFWSA-N 2 2 371.397 2.496 20 5 FEBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471170102 560999620 /nfs/dbraw/zinc/99/96/20/560999620.db2.gz SSEMKUIAVIZWRU-CYBMUJFWSA-N 2 2 371.397 2.496 20 5 FEBDLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000534955781 562546144 /nfs/dbraw/zinc/54/61/44/562546144.db2.gz VLJAKIPWJAWRGX-UHFFFAOYSA-N 2 2 363.443 2.009 20 5 FEBDLP C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000032482373 539940874 /nfs/dbraw/zinc/94/08/74/539940874.db2.gz DLIJPWFHSXVJRZ-MRXNPFEDSA-N 2 2 369.381 2.406 20 5 FEBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000111301437 543394581 /nfs/dbraw/zinc/39/45/81/543394581.db2.gz YIUQKDPKYUPZDF-GOSISDBHSA-N 2 2 363.458 2.331 20 5 FEBDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130851782 544168020 /nfs/dbraw/zinc/16/80/20/544168020.db2.gz HGINYTYKWJFPRN-UHFFFAOYSA-N 2 2 357.414 2.011 20 5 FEBDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130851782 544168024 /nfs/dbraw/zinc/16/80/24/544168024.db2.gz HGINYTYKWJFPRN-UHFFFAOYSA-N 2 2 357.414 2.011 20 5 FEBDLP CN(C(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154011589 544852416 /nfs/dbraw/zinc/85/24/16/544852416.db2.gz YSBUSVYCQXUDMC-QGZVFWFLSA-N 2 2 356.382 2.106 20 5 FEBDLP CN(C(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000154011589 544852419 /nfs/dbraw/zinc/85/24/19/544852419.db2.gz YSBUSVYCQXUDMC-QGZVFWFLSA-N 2 2 356.382 2.106 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794937 325677779 /nfs/dbraw/zinc/67/77/79/325677779.db2.gz MESHFEIUIOZPIB-UHFFFAOYSA-N 2 2 373.413 2.466 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265547150 329137734 /nfs/dbraw/zinc/13/77/34/329137734.db2.gz YCCJSZRSVWEXNY-UHFFFAOYSA-N 2 2 359.386 2.145 20 5 FEBDLP Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369327426 330239648 /nfs/dbraw/zinc/23/96/48/330239648.db2.gz RTZGLAGAUATRRI-INIZCTEOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369327426 330239649 /nfs/dbraw/zinc/23/96/49/330239649.db2.gz RTZGLAGAUATRRI-INIZCTEOSA-N 2 2 360.458 2.144 20 5 FEBDLP O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000161313802 546119276 /nfs/dbraw/zinc/11/92/76/546119276.db2.gz XKVRRQLPVMJGLN-UHFFFAOYSA-N 2 2 366.381 2.362 20 5 FEBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)nc1 ZINC000177199373 546568884 /nfs/dbraw/zinc/56/88/84/546568884.db2.gz VDQMYDHQRUKQIR-HNNXBMFYSA-N 2 2 365.397 2.257 20 5 FEBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)nc1 ZINC000177199373 546568886 /nfs/dbraw/zinc/56/88/86/546568886.db2.gz VDQMYDHQRUKQIR-HNNXBMFYSA-N 2 2 365.397 2.257 20 5 FEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182292793 547468711 /nfs/dbraw/zinc/46/87/11/547468711.db2.gz QTCIURUHDLSIER-HOTGVXAUSA-N 2 2 374.441 2.023 20 5 FEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182292793 547468714 /nfs/dbraw/zinc/46/87/14/547468714.db2.gz QTCIURUHDLSIER-HOTGVXAUSA-N 2 2 374.441 2.023 20 5 FEBDLP Cc1[nH+]ccn1CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274822055 550557414 /nfs/dbraw/zinc/55/74/14/550557414.db2.gz KDKUCOSIXRCTJB-UHFFFAOYSA-N 2 2 369.429 2.188 20 5 FEBDLP Cc1[nH+]ccn1CC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274822055 550557415 /nfs/dbraw/zinc/55/74/15/550557415.db2.gz KDKUCOSIXRCTJB-UHFFFAOYSA-N 2 2 369.429 2.188 20 5 FEBDLP C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000509006074 561781162 /nfs/dbraw/zinc/78/11/62/561781162.db2.gz ILTRPJPSKMWBFY-CYBMUJFWSA-N 2 2 368.428 2.473 20 5 FEBDLP C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000509006074 561781163 /nfs/dbraw/zinc/78/11/63/561781163.db2.gz ILTRPJPSKMWBFY-CYBMUJFWSA-N 2 2 368.428 2.473 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364871155 555421188 /nfs/dbraw/zinc/42/11/88/555421188.db2.gz QXNNSOGXIDNOTA-MRXNPFEDSA-N 2 2 374.485 2.418 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364871155 555421190 /nfs/dbraw/zinc/42/11/90/555421190.db2.gz QXNNSOGXIDNOTA-MRXNPFEDSA-N 2 2 374.485 2.418 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373098353 557628297 /nfs/dbraw/zinc/62/82/97/557628297.db2.gz IZTYURHEZIVGMO-AWEZNQCLSA-N 2 2 357.414 2.455 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373098353 557628299 /nfs/dbraw/zinc/62/82/99/557628299.db2.gz IZTYURHEZIVGMO-AWEZNQCLSA-N 2 2 357.414 2.455 20 5 FEBDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000375503064 558039028 /nfs/dbraw/zinc/03/90/28/558039028.db2.gz QBQRSDXZUWZSOE-RVZJWNSFSA-N 2 2 357.414 2.307 20 5 FEBDLP C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378365114 558539883 /nfs/dbraw/zinc/53/98/83/558539883.db2.gz IBCOJIGFAWJPDG-INIZCTEOSA-N 2 2 374.485 2.154 20 5 FEBDLP C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378365114 558539887 /nfs/dbraw/zinc/53/98/87/558539887.db2.gz IBCOJIGFAWJPDG-INIZCTEOSA-N 2 2 374.485 2.154 20 5 FEBDLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307771 559356839 /nfs/dbraw/zinc/35/68/39/559356839.db2.gz HGNSSBISLWQVJY-ZWKOTPCHSA-N 2 2 360.458 2.292 20 5 FEBDLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307771 559356840 /nfs/dbraw/zinc/35/68/40/559356840.db2.gz HGNSSBISLWQVJY-ZWKOTPCHSA-N 2 2 360.458 2.292 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399775 559485483 /nfs/dbraw/zinc/48/54/83/559485483.db2.gz OHVTXAPJFIMBEJ-CZUORRHYSA-N 2 2 362.430 2.006 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399775 559485484 /nfs/dbraw/zinc/48/54/84/559485484.db2.gz OHVTXAPJFIMBEJ-CZUORRHYSA-N 2 2 362.430 2.006 20 5 FEBDLP Cn1cc[nH+]c1CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000435684914 559928054 /nfs/dbraw/zinc/92/80/54/559928054.db2.gz WYYGIARPGLVHCR-QGZVFWFLSA-N 2 2 355.442 2.473 20 5 FEBDLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448752373 560197843 /nfs/dbraw/zinc/19/78/43/560197843.db2.gz UZNNXTWXXLKBGW-ZDUSSCGKSA-N 2 2 368.397 2.352 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000448933041 560207632 /nfs/dbraw/zinc/20/76/32/560207632.db2.gz NMOBSPDADPSFLX-MRXNPFEDSA-N 2 2 369.425 2.481 20 5 FEBDLP CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449998767 560247715 /nfs/dbraw/zinc/24/77/15/560247715.db2.gz ZAWQVVHTDQAIBW-CQSZACIVSA-N 2 2 357.414 2.194 20 5 FEBDLP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449998767 560247716 /nfs/dbraw/zinc/24/77/16/560247716.db2.gz ZAWQVVHTDQAIBW-CQSZACIVSA-N 2 2 357.414 2.194 20 5 FEBDLP CC1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450627494 560268567 /nfs/dbraw/zinc/26/85/67/560268567.db2.gz UIABTQKNMUDFJL-UHFFFAOYSA-N 2 2 355.398 2.162 20 5 FEBDLP CC1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450627494 560268568 /nfs/dbraw/zinc/26/85/68/560268568.db2.gz UIABTQKNMUDFJL-UHFFFAOYSA-N 2 2 355.398 2.162 20 5 FEBDLP C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1=CC[N@H+](C)CC1 ZINC000450755959 560272441 /nfs/dbraw/zinc/27/24/41/560272441.db2.gz JTIVRXATOSJXMZ-ZDUSSCGKSA-N 2 2 355.398 2.161 20 5 FEBDLP C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1=CC[N@@H+](C)CC1 ZINC000450755959 560272442 /nfs/dbraw/zinc/27/24/42/560272442.db2.gz JTIVRXATOSJXMZ-ZDUSSCGKSA-N 2 2 355.398 2.161 20 5 FEBDLP Cc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450786018 560273233 /nfs/dbraw/zinc/27/32/33/560273233.db2.gz CGPYWVNKZQOKCS-CALCHBBNSA-N 2 2 369.425 2.057 20 5 FEBDLP Cc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450786018 560273234 /nfs/dbraw/zinc/27/32/34/560273234.db2.gz CGPYWVNKZQOKCS-CALCHBBNSA-N 2 2 369.425 2.057 20 5 FEBDLP C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)C1 ZINC000452153201 560353907 /nfs/dbraw/zinc/35/39/07/560353907.db2.gz QUPZVMMORJAGIA-IBGZPJMESA-N 2 2 369.425 2.338 20 5 FEBDLP C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)C1 ZINC000452153201 560353908 /nfs/dbraw/zinc/35/39/08/560353908.db2.gz QUPZVMMORJAGIA-IBGZPJMESA-N 2 2 369.425 2.338 20 5 FEBDLP COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713744 561103000 /nfs/dbraw/zinc/10/30/00/561103000.db2.gz KEPXMCPNHMCSHP-DZGCQCFKSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713744 561103001 /nfs/dbraw/zinc/10/30/01/561103001.db2.gz KEPXMCPNHMCSHP-DZGCQCFKSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713744 561103002 /nfs/dbraw/zinc/10/30/02/561103002.db2.gz KEPXMCPNHMCSHP-DZGCQCFKSA-N 2 2 365.430 2.061 20 5 FEBDLP COC(=O)COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713744 561103003 /nfs/dbraw/zinc/10/30/03/561103003.db2.gz KEPXMCPNHMCSHP-DZGCQCFKSA-N 2 2 365.430 2.061 20 5 FEBDLP C[NH+](C)CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000581186701 671871472 /nfs/dbraw/zinc/87/14/72/671871472.db2.gz XBQRRWWZWFFSFK-MRXNPFEDSA-N 2 2 371.503 2.325 20 5 FEBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596454968 673386249 /nfs/dbraw/zinc/38/62/49/673386249.db2.gz XGUFXPIHHFFDHD-UHFFFAOYSA-N 2 2 357.842 2.253 20 5 FEBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596454968 673386252 /nfs/dbraw/zinc/38/62/52/673386252.db2.gz XGUFXPIHHFFDHD-UHFFFAOYSA-N 2 2 357.842 2.253 20 5 FEBDLP CC(C)C[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000043008358 208298526 /nfs/dbraw/zinc/29/85/26/208298526.db2.gz RXBXXYCXGWKXRN-UHFFFAOYSA-N 2 2 357.414 2.194 20 5 FEBDLP COc1cc[nH+]c(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000104720560 543139211 /nfs/dbraw/zinc/13/92/11/543139211.db2.gz HZOHRTGFDDAGRO-UHFFFAOYSA-N 2 2 358.398 2.199 20 5 FEBDLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000129015922 326533562 /nfs/dbraw/zinc/53/35/62/326533562.db2.gz LZAYEIKGCBRVKS-UHFFFAOYSA-N 2 2 371.441 2.338 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172586751 327209762 /nfs/dbraw/zinc/20/97/62/327209762.db2.gz OWLATOZJVAVLGK-OAHLLOKOSA-N 2 2 369.425 2.338 20 5 FEBDLP C[N@H+](CCO)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264417616 329020581 /nfs/dbraw/zinc/02/05/81/329020581.db2.gz YWSFQQLUBWLBOH-UHFFFAOYSA-N 2 2 374.441 2.181 20 5 FEBDLP C[N@@H+](CCO)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264417616 329020583 /nfs/dbraw/zinc/02/05/83/329020583.db2.gz YWSFQQLUBWLBOH-UHFFFAOYSA-N 2 2 374.441 2.181 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479758553 561196516 /nfs/dbraw/zinc/19/65/16/561196516.db2.gz VKDOARAGKWRROZ-UHFFFAOYSA-N 2 2 372.425 2.393 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479758553 561196517 /nfs/dbraw/zinc/19/65/17/561196517.db2.gz VKDOARAGKWRROZ-UHFFFAOYSA-N 2 2 372.425 2.393 20 5 FEBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000486020587 561335485 /nfs/dbraw/zinc/33/54/85/561335485.db2.gz VAMOVTVKQRNNHH-MRXNPFEDSA-N 2 2 360.458 2.114 20 5 FEBDLP CC(C)c1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000486020587 561335486 /nfs/dbraw/zinc/33/54/86/561335486.db2.gz VAMOVTVKQRNNHH-MRXNPFEDSA-N 2 2 360.458 2.114 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446411 548924382 /nfs/dbraw/zinc/92/43/82/548924382.db2.gz ZTZABZHEAQMNDO-WMLDXEAASA-N 2 2 360.458 2.146 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446411 548924384 /nfs/dbraw/zinc/92/43/84/548924384.db2.gz ZTZABZHEAQMNDO-WMLDXEAASA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446411 548924388 /nfs/dbraw/zinc/92/43/88/548924388.db2.gz ZTZABZHEAQMNDO-WMLDXEAASA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446411 548924390 /nfs/dbraw/zinc/92/43/90/548924390.db2.gz ZTZABZHEAQMNDO-WMLDXEAASA-N 2 2 360.458 2.146 20 5 FEBDLP NC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435963 549131962 /nfs/dbraw/zinc/13/19/62/549131962.db2.gz CUOKRCGSVSUBMZ-YOEHRIQHSA-N 2 2 358.442 2.142 20 5 FEBDLP NC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435963 549131964 /nfs/dbraw/zinc/13/19/64/549131964.db2.gz CUOKRCGSVSUBMZ-YOEHRIQHSA-N 2 2 358.442 2.142 20 5 FEBDLP NC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435963 549131968 /nfs/dbraw/zinc/13/19/68/549131968.db2.gz CUOKRCGSVSUBMZ-YOEHRIQHSA-N 2 2 358.442 2.142 20 5 FEBDLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@@H](C)O1 ZINC000364229617 555274671 /nfs/dbraw/zinc/27/46/71/555274671.db2.gz NSYODBQLBYBQIH-HUUCEWRRSA-N 2 2 365.478 2.040 20 5 FEBDLP CN(CCC[NH+]1CCCC1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000513051231 561923528 /nfs/dbraw/zinc/92/35/28/561923528.db2.gz KBUFZIHRDUBJRW-UHFFFAOYSA-N 2 2 362.474 2.349 20 5 FEBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH+](CCO)CC1 ZINC000513568072 561943290 /nfs/dbraw/zinc/94/32/90/561943290.db2.gz KBYAFBAUUXWPOT-UHFFFAOYSA-N 2 2 359.373 2.085 20 5 FEBDLP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000367674193 556110970 /nfs/dbraw/zinc/11/09/70/556110970.db2.gz UNWUHVWETUYCHG-OAHLLOKOSA-N 2 2 373.457 2.195 20 5 FEBDLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000367674193 556110974 /nfs/dbraw/zinc/11/09/74/556110974.db2.gz UNWUHVWETUYCHG-OAHLLOKOSA-N 2 2 373.457 2.195 20 5 FEBDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938186 562066162 /nfs/dbraw/zinc/06/61/62/562066162.db2.gz UAJIPUVXMSWAKY-FUHWJXTLSA-N 2 2 360.458 2.114 20 5 FEBDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938186 562066164 /nfs/dbraw/zinc/06/61/64/562066164.db2.gz UAJIPUVXMSWAKY-FUHWJXTLSA-N 2 2 360.458 2.114 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777568 562143652 /nfs/dbraw/zinc/14/36/52/562143652.db2.gz VWENNSURUXWWBR-DGCLKSJQSA-N 2 2 371.384 2.289 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777568 562143653 /nfs/dbraw/zinc/14/36/53/562143653.db2.gz VWENNSURUXWWBR-DGCLKSJQSA-N 2 2 371.384 2.289 20 5 FEBDLP Cc1c(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000378364644 558539763 /nfs/dbraw/zinc/53/97/63/558539763.db2.gz CYIYPLMHVPRMTG-HNNXBMFYSA-N 2 2 374.485 2.073 20 5 FEBDLP Cc1c(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000378364644 558539764 /nfs/dbraw/zinc/53/97/64/558539764.db2.gz CYIYPLMHVPRMTG-HNNXBMFYSA-N 2 2 374.485 2.073 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000421795426 559553769 /nfs/dbraw/zinc/55/37/69/559553769.db2.gz IGALLTBMDHJSMG-INIZCTEOSA-N 2 2 374.485 2.452 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000421795426 559553770 /nfs/dbraw/zinc/55/37/70/559553770.db2.gz IGALLTBMDHJSMG-INIZCTEOSA-N 2 2 374.485 2.452 20 5 FEBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000422011027 559560531 /nfs/dbraw/zinc/56/05/31/559560531.db2.gz CTFRYTLWWTUEIB-UHFFFAOYSA-N 2 2 374.485 2.156 20 5 FEBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000422011027 559560532 /nfs/dbraw/zinc/56/05/32/559560532.db2.gz CTFRYTLWWTUEIB-UHFFFAOYSA-N 2 2 374.485 2.156 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422632231 559599009 /nfs/dbraw/zinc/59/90/09/559599009.db2.gz GLLRUQBFTNAFBP-MJBXVCDLSA-N 2 2 364.446 2.237 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422632231 559599010 /nfs/dbraw/zinc/59/90/10/559599010.db2.gz GLLRUQBFTNAFBP-MJBXVCDLSA-N 2 2 364.446 2.237 20 5 FEBDLP [NH3+][C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000423039090 559616042 /nfs/dbraw/zinc/61/60/42/559616042.db2.gz PRSLKYAGAGKZMF-IRXDYDNUSA-N 2 2 361.423 2.103 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(C(F)(F)F)c1 ZINC000423081616 559618005 /nfs/dbraw/zinc/61/80/05/559618005.db2.gz DJMZHQFRFMHSML-GJZGRUSLSA-N 2 2 359.348 2.470 20 5 FEBDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635399 560117299 /nfs/dbraw/zinc/11/72/99/560117299.db2.gz BARLMQZNUQLTMJ-HNNXBMFYSA-N 2 2 361.446 2.404 20 5 FEBDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635399 560117300 /nfs/dbraw/zinc/11/73/00/560117300.db2.gz BARLMQZNUQLTMJ-HNNXBMFYSA-N 2 2 361.446 2.404 20 5 FEBDLP C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448691403 560194651 /nfs/dbraw/zinc/19/46/51/560194651.db2.gz QGNNFGIJEDGPDC-CQSZACIVSA-N 2 2 357.414 2.385 20 5 FEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000449323332 560225412 /nfs/dbraw/zinc/22/54/12/560225412.db2.gz UKHDPLUFKPCJIF-MIGBEJBISA-N 2 2 374.485 2.199 20 5 FEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000449323332 560225414 /nfs/dbraw/zinc/22/54/14/560225414.db2.gz UKHDPLUFKPCJIF-MIGBEJBISA-N 2 2 374.485 2.199 20 5 FEBDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507229 560232398 /nfs/dbraw/zinc/23/23/98/560232398.db2.gz STKNDOSUKRCZKN-GOSISDBHSA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507229 560232399 /nfs/dbraw/zinc/23/23/99/560232399.db2.gz STKNDOSUKRCZKN-GOSISDBHSA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507229 560232400 /nfs/dbraw/zinc/23/24/00/560232400.db2.gz STKNDOSUKRCZKN-GOSISDBHSA-N 2 2 374.485 2.361 20 5 FEBDLP CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457079044 560547490 /nfs/dbraw/zinc/54/74/90/560547490.db2.gz RTZBDOUZRUFXPW-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP CC1(C)CCC[N@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457079044 560547491 /nfs/dbraw/zinc/54/74/91/560547491.db2.gz RTZBDOUZRUFXPW-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP C[NH2+]CCOCC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600772622 673797898 /nfs/dbraw/zinc/79/78/98/673797898.db2.gz FRABBGGODRVLOE-UHFFFAOYSA-N 2 2 350.444 2.386 20 5 FEBDLP C[NH2+]CCOCC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600772622 673797899 /nfs/dbraw/zinc/79/78/99/673797899.db2.gz FRABBGGODRVLOE-UHFFFAOYSA-N 2 2 350.444 2.386 20 5 FEBDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931720107 684335395 /nfs/dbraw/zinc/33/53/95/684335395.db2.gz LNMHFRLJWUCBRM-GXTWGEPZSA-N 2 2 350.394 2.231 20 5 FEBDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931720107 684335399 /nfs/dbraw/zinc/33/53/99/684335399.db2.gz LNMHFRLJWUCBRM-GXTWGEPZSA-N 2 2 350.394 2.231 20 5 FEBDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931720107 684335404 /nfs/dbraw/zinc/33/54/04/684335404.db2.gz LNMHFRLJWUCBRM-GXTWGEPZSA-N 2 2 350.394 2.231 20 5 FEBDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931720107 684335407 /nfs/dbraw/zinc/33/54/07/684335407.db2.gz LNMHFRLJWUCBRM-GXTWGEPZSA-N 2 2 350.394 2.231 20 5 FEBDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000098144626 543023670 /nfs/dbraw/zinc/02/36/70/543023670.db2.gz RKVGUUAITSBOOX-GOSISDBHSA-N 2 2 371.437 2.112 20 5 FEBDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000098144626 543023672 /nfs/dbraw/zinc/02/36/72/543023672.db2.gz RKVGUUAITSBOOX-GOSISDBHSA-N 2 2 371.437 2.112 20 5 FEBDLP O=C1[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109792966 543339054 /nfs/dbraw/zinc/33/90/54/543339054.db2.gz GJGLFTAQGZMASK-QGZVFWFLSA-N 2 2 355.398 2.234 20 5 FEBDLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129480103 544114424 /nfs/dbraw/zinc/11/44/24/544114424.db2.gz MOETYOGWRVILBU-OLMNPRSZSA-N 2 2 369.425 2.480 20 5 FEBDLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129480103 544114425 /nfs/dbraw/zinc/11/44/25/544114425.db2.gz MOETYOGWRVILBU-OLMNPRSZSA-N 2 2 369.425 2.480 20 5 FEBDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000133711503 544280544 /nfs/dbraw/zinc/28/05/44/544280544.db2.gz JQBXDTVAVVPRBH-MRXNPFEDSA-N 2 2 370.457 2.248 20 5 FEBDLP Cc1c(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000164041655 327063535 /nfs/dbraw/zinc/06/35/35/327063535.db2.gz COWCHFXKPOOVRV-UHFFFAOYSA-N 2 2 374.485 2.121 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000478302923 561163895 /nfs/dbraw/zinc/16/38/95/561163895.db2.gz MPBAOFQXACCRBK-IBGZPJMESA-N 2 2 359.401 2.461 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000478302923 561163896 /nfs/dbraw/zinc/16/38/96/561163896.db2.gz MPBAOFQXACCRBK-IBGZPJMESA-N 2 2 359.401 2.461 20 5 FEBDLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172234678 546242708 /nfs/dbraw/zinc/24/27/08/546242708.db2.gz XJZOMTLKFKUSRF-CQSZACIVSA-N 2 2 357.414 2.194 20 5 FEBDLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172234678 546242711 /nfs/dbraw/zinc/24/27/11/546242711.db2.gz XJZOMTLKFKUSRF-CQSZACIVSA-N 2 2 357.414 2.194 20 5 FEBDLP C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177036974 546529285 /nfs/dbraw/zinc/52/92/85/546529285.db2.gz JGVCBHQSYMMFDK-TZMCWYRMSA-N 2 2 355.398 2.136 20 5 FEBDLP C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177036974 546529290 /nfs/dbraw/zinc/52/92/90/546529290.db2.gz JGVCBHQSYMMFDK-TZMCWYRMSA-N 2 2 355.398 2.136 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181108426 547251638 /nfs/dbraw/zinc/25/16/38/547251638.db2.gz ILZAFRKXOGDIFF-UHFFFAOYSA-N 2 2 361.402 2.151 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181108426 547251642 /nfs/dbraw/zinc/25/16/42/547251642.db2.gz ILZAFRKXOGDIFF-UHFFFAOYSA-N 2 2 361.402 2.151 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000261781763 549754597 /nfs/dbraw/zinc/75/45/97/549754597.db2.gz UCPIQBTYLFJNFD-MRXNPFEDSA-N 2 2 359.373 2.418 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000261781763 549754602 /nfs/dbraw/zinc/75/46/02/549754602.db2.gz UCPIQBTYLFJNFD-MRXNPFEDSA-N 2 2 359.373 2.418 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781066 561452640 /nfs/dbraw/zinc/45/26/40/561452640.db2.gz ACFOLVFGCAZDTC-RDJZCZTQSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781066 561452641 /nfs/dbraw/zinc/45/26/41/561452641.db2.gz ACFOLVFGCAZDTC-RDJZCZTQSA-N 2 2 362.474 2.061 20 5 FEBDLP [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000289208388 552282963 /nfs/dbraw/zinc/28/29/63/552282963.db2.gz KHJJYGNDAVXLDO-HDJSIYSDSA-N 2 2 357.414 2.275 20 5 FEBDLP Cc1[nH+]ccn1CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000509430055 561799179 /nfs/dbraw/zinc/79/91/79/561799179.db2.gz NYKWOFVJUGWNTA-UHFFFAOYSA-N 2 2 359.430 2.434 20 5 FEBDLP CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367293284 556010046 /nfs/dbraw/zinc/01/00/46/556010046.db2.gz YPRHQCRBCGMWMS-MRXNPFEDSA-N 2 2 350.438 2.334 20 5 FEBDLP CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367293284 556010048 /nfs/dbraw/zinc/01/00/48/556010048.db2.gz YPRHQCRBCGMWMS-MRXNPFEDSA-N 2 2 350.438 2.334 20 5 FEBDLP Cc1sc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830756 556982850 /nfs/dbraw/zinc/98/28/50/556982850.db2.gz OZVCQDKXZKRGPB-AWEZNQCLSA-N 2 2 366.487 2.205 20 5 FEBDLP Cc1sc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830756 556982852 /nfs/dbraw/zinc/98/28/52/556982852.db2.gz OZVCQDKXZKRGPB-AWEZNQCLSA-N 2 2 366.487 2.205 20 5 FEBDLP C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378344570 558534228 /nfs/dbraw/zinc/53/42/28/558534228.db2.gz AOYVDEJKRWWDAA-CQSZACIVSA-N 2 2 361.446 2.227 20 5 FEBDLP C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378344570 558534231 /nfs/dbraw/zinc/53/42/31/558534231.db2.gz AOYVDEJKRWWDAA-CQSZACIVSA-N 2 2 361.446 2.227 20 5 FEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420373289 559483628 /nfs/dbraw/zinc/48/36/28/559483628.db2.gz FYZBYQBHVPOBIB-QGZVFWFLSA-N 2 2 374.445 2.269 20 5 FEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420373289 559483629 /nfs/dbraw/zinc/48/36/29/559483629.db2.gz FYZBYQBHVPOBIB-QGZVFWFLSA-N 2 2 374.445 2.269 20 5 FEBDLP [NH3+][C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000423039088 559616048 /nfs/dbraw/zinc/61/60/48/559616048.db2.gz PRSLKYAGAGKZMF-DLBZAZTESA-N 2 2 361.423 2.103 20 5 FEBDLP Cn1cc[nH+]c1[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489415 559630115 /nfs/dbraw/zinc/63/01/15/559630115.db2.gz WLQJUHZBYJXOGE-ZIAGYGMSSA-N 2 2 351.357 2.005 20 5 FEBDLP CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000470673093 560987072 /nfs/dbraw/zinc/98/70/72/560987072.db2.gz FGAVOXJQULAHNT-OAHLLOKOSA-N 2 2 357.414 2.383 20 5 FEBDLP CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000470673093 560987073 /nfs/dbraw/zinc/98/70/73/560987073.db2.gz FGAVOXJQULAHNT-OAHLLOKOSA-N 2 2 357.414 2.383 20 5 FEBDLP COc1ccc(OCC[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000872151245 684922971 /nfs/dbraw/zinc/92/29/71/684922971.db2.gz JZDGGXNKYFNGTA-JQWIXIFHSA-N 2 2 363.336 2.051 20 5 FEBDLP COc1ccc(OCC[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000872151245 684922974 /nfs/dbraw/zinc/92/29/74/684922974.db2.gz JZDGGXNKYFNGTA-JQWIXIFHSA-N 2 2 363.336 2.051 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095753 325159138 /nfs/dbraw/zinc/15/91/38/325159138.db2.gz VCWNVIPCCCETAP-CZUORRHYSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095753 325159140 /nfs/dbraw/zinc/15/91/40/325159140.db2.gz VCWNVIPCCCETAP-CZUORRHYSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095753 325159142 /nfs/dbraw/zinc/15/91/42/325159142.db2.gz VCWNVIPCCCETAP-CZUORRHYSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095753 325159144 /nfs/dbraw/zinc/15/91/44/325159144.db2.gz VCWNVIPCCCETAP-CZUORRHYSA-N 2 2 364.446 2.204 20 5 FEBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134167897 326621014 /nfs/dbraw/zinc/62/10/14/326621014.db2.gz RLHILGBVNYERFT-CQSZACIVSA-N 2 2 356.430 2.334 20 5 FEBDLP CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171565234 327145920 /nfs/dbraw/zinc/14/59/20/327145920.db2.gz KQABORMONOJSAK-UHFFFAOYSA-N 2 2 359.430 2.440 20 5 FEBDLP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000174467368 327328623 /nfs/dbraw/zinc/32/86/23/327328623.db2.gz CTQXTRFNLBJEFS-AWEZNQCLSA-N 2 2 357.414 2.194 20 5 FEBDLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000174467368 327328625 /nfs/dbraw/zinc/32/86/25/327328625.db2.gz CTQXTRFNLBJEFS-AWEZNQCLSA-N 2 2 357.414 2.194 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266965625 329277784 /nfs/dbraw/zinc/27/77/84/329277784.db2.gz XZYWCFGWRCLMQZ-LBPRGKRZSA-N 2 2 359.386 2.145 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266965625 329277786 /nfs/dbraw/zinc/27/77/86/329277786.db2.gz XZYWCFGWRCLMQZ-LBPRGKRZSA-N 2 2 359.386 2.145 20 5 FEBDLP O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)c1 ZINC000177030252 546527999 /nfs/dbraw/zinc/52/79/99/546527999.db2.gz PXEOUIKGHRNMRW-UHFFFAOYSA-N 2 2 364.409 2.498 20 5 FEBDLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000177447581 546620202 /nfs/dbraw/zinc/62/02/02/546620202.db2.gz KYULAVRWZZRKMH-HUUCEWRRSA-N 2 2 357.414 2.383 20 5 FEBDLP COc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000185632048 548012262 /nfs/dbraw/zinc/01/22/62/548012262.db2.gz DBDAFFHDVJKRPA-XYPWUTKMSA-N 2 2 360.458 2.351 20 5 FEBDLP COc1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1[N+](=O)[O-] ZINC000185632048 548012265 /nfs/dbraw/zinc/01/22/65/548012265.db2.gz DBDAFFHDVJKRPA-XYPWUTKMSA-N 2 2 360.458 2.351 20 5 FEBDLP C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713723 548024482 /nfs/dbraw/zinc/02/44/82/548024482.db2.gz CGMHOIPNDCUPHO-XJKSGUPXSA-N 2 2 360.458 2.436 20 5 FEBDLP C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713723 548024484 /nfs/dbraw/zinc/02/44/84/548024484.db2.gz CGMHOIPNDCUPHO-XJKSGUPXSA-N 2 2 360.458 2.436 20 5 FEBDLP C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1n1cc[nH+]c1 ZINC000245680216 548973443 /nfs/dbraw/zinc/97/34/43/548973443.db2.gz OZZSLQLNRVNXMQ-KBXCAEBGSA-N 2 2 369.425 2.264 20 5 FEBDLP C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1n1cc[nH+]c1 ZINC000245680216 548973448 /nfs/dbraw/zinc/97/34/48/548973448.db2.gz OZZSLQLNRVNXMQ-KBXCAEBGSA-N 2 2 369.425 2.264 20 5 FEBDLP COc1cc(C[NH2+]CCn2cc[nH+]c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272448093 550448896 /nfs/dbraw/zinc/44/88/96/550448896.db2.gz PILGKKVDOCXNHY-UHFFFAOYSA-N 2 2 356.329 2.234 20 5 FEBDLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000365231874 555517575 /nfs/dbraw/zinc/51/75/75/555517575.db2.gz ZWUJHAGMKDWKFL-QGZVFWFLSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000365231874 555517577 /nfs/dbraw/zinc/51/75/77/555517577.db2.gz ZWUJHAGMKDWKFL-QGZVFWFLSA-N 2 2 360.458 2.144 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000368951770 556457510 /nfs/dbraw/zinc/45/75/10/556457510.db2.gz RUOIWAPDCVRHTF-OAHLLOKOSA-N 2 2 355.442 2.723 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000368951770 556457512 /nfs/dbraw/zinc/45/75/12/556457512.db2.gz RUOIWAPDCVRHTF-OAHLLOKOSA-N 2 2 355.442 2.723 20 5 FEBDLP CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000518609817 562115128 /nfs/dbraw/zinc/11/51/28/562115128.db2.gz OBBIZSQRYWZGRQ-ZIAGYGMSSA-N 2 2 357.414 2.335 20 5 FEBDLP CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372607331 557519555 /nfs/dbraw/zinc/51/95/55/557519555.db2.gz UJQOVQTVXODDCR-OAHLLOKOSA-N 2 2 363.418 2.108 20 5 FEBDLP CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372607331 557519559 /nfs/dbraw/zinc/51/95/59/557519559.db2.gz UJQOVQTVXODDCR-OAHLLOKOSA-N 2 2 363.418 2.108 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000375899476 558096052 /nfs/dbraw/zinc/09/60/52/558096052.db2.gz CDRNNLYOTYFFLN-QGZVFWFLSA-N 2 2 350.438 2.334 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000375899476 558096054 /nfs/dbraw/zinc/09/60/54/558096054.db2.gz CDRNNLYOTYFFLN-QGZVFWFLSA-N 2 2 350.438 2.334 20 5 FEBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522037502 562189953 /nfs/dbraw/zinc/18/99/53/562189953.db2.gz LPADJTIGIPDMJQ-OAHLLOKOSA-N 2 2 355.398 2.089 20 5 FEBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522037502 562189954 /nfs/dbraw/zinc/18/99/54/562189954.db2.gz LPADJTIGIPDMJQ-OAHLLOKOSA-N 2 2 355.398 2.089 20 5 FEBDLP COc1ccc(-c2ccc(C[N@@H+]3CCCO[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415103420 559205241 /nfs/dbraw/zinc/20/52/41/559205241.db2.gz FOBGLRAHPZFMLF-OAHLLOKOSA-N 2 2 361.398 2.413 20 5 FEBDLP COc1ccc(-c2ccc(C[N@H+]3CCCO[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415103420 559205242 /nfs/dbraw/zinc/20/52/42/559205242.db2.gz FOBGLRAHPZFMLF-OAHLLOKOSA-N 2 2 361.398 2.413 20 5 FEBDLP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435390617 559921965 /nfs/dbraw/zinc/92/19/65/559921965.db2.gz SKNSVPPOUIWWBN-LLVKDONJSA-N 2 2 359.373 2.418 20 5 FEBDLP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435390617 559921966 /nfs/dbraw/zinc/92/19/66/559921966.db2.gz SKNSVPPOUIWWBN-LLVKDONJSA-N 2 2 359.373 2.418 20 5 FEBDLP Cc1[nH+]ccn1CCCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814865 560169845 /nfs/dbraw/zinc/16/98/45/560169845.db2.gz AMHBMSHRKOIMAP-UHFFFAOYSA-N 2 2 373.457 2.458 20 5 FEBDLP C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000448717427 560196147 /nfs/dbraw/zinc/19/61/47/560196147.db2.gz OBLKMRFYUGWZLY-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450096235 560250648 /nfs/dbraw/zinc/25/06/48/560250648.db2.gz GOCDAFRVMGKSFQ-HIFRSBDPSA-N 2 2 357.414 2.239 20 5 FEBDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450096235 560250649 /nfs/dbraw/zinc/25/06/49/560250649.db2.gz GOCDAFRVMGKSFQ-HIFRSBDPSA-N 2 2 357.414 2.239 20 5 FEBDLP C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1=CC[N@H+](C)CC1 ZINC000450755956 560272124 /nfs/dbraw/zinc/27/21/24/560272124.db2.gz JTIVRXATOSJXMZ-CYBMUJFWSA-N 2 2 355.398 2.161 20 5 FEBDLP C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1=CC[N@@H+](C)CC1 ZINC000450755956 560272125 /nfs/dbraw/zinc/27/21/25/560272125.db2.gz JTIVRXATOSJXMZ-CYBMUJFWSA-N 2 2 355.398 2.161 20 5 FEBDLP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000456530391 560523515 /nfs/dbraw/zinc/52/35/15/560523515.db2.gz YHVFIBAOPMGBPF-CQSZACIVSA-N 2 2 357.414 2.337 20 5 FEBDLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1[N+](=O)[O-] ZINC000475630622 561101190 /nfs/dbraw/zinc/10/11/90/561101190.db2.gz HMCGAYWQFVSZJQ-UHFFFAOYSA-N 2 2 358.398 2.329 20 5 FEBDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783609349 682159230 /nfs/dbraw/zinc/15/92/30/682159230.db2.gz WBVBFCFSCWTRAO-INIZCTEOSA-N 2 2 368.865 2.281 20 5 FEBDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783609349 682159237 /nfs/dbraw/zinc/15/92/37/682159237.db2.gz WBVBFCFSCWTRAO-INIZCTEOSA-N 2 2 368.865 2.281 20 5 FEBDLP O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033240924 208076077 /nfs/dbraw/zinc/07/60/77/208076077.db2.gz BZWVPWVNKAPDQR-UHFFFAOYSA-N 2 2 355.398 2.137 20 5 FEBDLP CN(C)c1nc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000093562698 542933806 /nfs/dbraw/zinc/93/38/06/542933806.db2.gz AWWNMNWVQBEAMO-FNORWQNLSA-N 2 2 368.441 2.286 20 5 FEBDLP COc1cc[nH+]c(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000104720452 543139218 /nfs/dbraw/zinc/13/92/18/543139218.db2.gz OANLUVNYXAAGLJ-UHFFFAOYSA-N 2 2 358.398 2.199 20 5 FEBDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124259784 543810349 /nfs/dbraw/zinc/81/03/49/543810349.db2.gz DRAWZODWUFUXBL-UHFFFAOYSA-N 2 2 351.794 2.405 20 5 FEBDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124259784 543810353 /nfs/dbraw/zinc/81/03/53/543810353.db2.gz DRAWZODWUFUXBL-UHFFFAOYSA-N 2 2 351.794 2.405 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096326 325159521 /nfs/dbraw/zinc/15/95/21/325159521.db2.gz UWFYOGDQETUCJM-CJNGLKHVSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096326 325159525 /nfs/dbraw/zinc/15/95/25/325159525.db2.gz UWFYOGDQETUCJM-CJNGLKHVSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096326 325159528 /nfs/dbraw/zinc/15/95/28/325159528.db2.gz UWFYOGDQETUCJM-CJNGLKHVSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096326 325159531 /nfs/dbraw/zinc/15/95/31/325159531.db2.gz UWFYOGDQETUCJM-CJNGLKHVSA-N 2 2 364.446 2.204 20 5 FEBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000486020584 561335625 /nfs/dbraw/zinc/33/56/25/561335625.db2.gz VAMOVTVKQRNNHH-INIZCTEOSA-N 2 2 360.458 2.114 20 5 FEBDLP CC(C)c1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000486020584 561335626 /nfs/dbraw/zinc/33/56/26/561335626.db2.gz VAMOVTVKQRNNHH-INIZCTEOSA-N 2 2 360.458 2.114 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330635 549320373 /nfs/dbraw/zinc/32/03/73/549320373.db2.gz YNYISEFPSMYXRS-YOEHRIQHSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330635 549320378 /nfs/dbraw/zinc/32/03/78/549320378.db2.gz YNYISEFPSMYXRS-YOEHRIQHSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330635 549320382 /nfs/dbraw/zinc/32/03/82/549320382.db2.gz YNYISEFPSMYXRS-YOEHRIQHSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330635 549320385 /nfs/dbraw/zinc/32/03/85/549320385.db2.gz YNYISEFPSMYXRS-YOEHRIQHSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000271192400 550350818 /nfs/dbraw/zinc/35/08/18/550350818.db2.gz XUBOVBXONFXVKD-CABCVRRESA-N 2 2 352.504 2.301 20 5 FEBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000271192400 550350819 /nfs/dbraw/zinc/35/08/19/550350819.db2.gz XUBOVBXONFXVKD-CABCVRRESA-N 2 2 352.504 2.301 20 5 FEBDLP COc1cc(C[NH2+]C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272409206 550445140 /nfs/dbraw/zinc/44/51/40/550445140.db2.gz KOLQVOHWJGKSGS-UHFFFAOYSA-N 2 2 359.373 2.431 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290179457 552439076 /nfs/dbraw/zinc/43/90/76/552439076.db2.gz PMCWOCDRGUIEKJ-INIZCTEOSA-N 2 2 369.425 2.242 20 5 FEBDLP CC[NH+]1CCN(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000299388978 553556506 /nfs/dbraw/zinc/55/65/06/553556506.db2.gz DHAOYACLBVRRPS-UHFFFAOYSA-N 2 2 370.457 2.410 20 5 FEBDLP O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414026 555099859 /nfs/dbraw/zinc/09/98/59/555099859.db2.gz JGVNAQGTPCEILX-KBAYOESNSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414026 555099861 /nfs/dbraw/zinc/09/98/61/555099861.db2.gz JGVNAQGTPCEILX-KBAYOESNSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414026 555099863 /nfs/dbraw/zinc/09/98/63/555099863.db2.gz JGVNAQGTPCEILX-KBAYOESNSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414026 555099865 /nfs/dbraw/zinc/09/98/65/555099865.db2.gz JGVNAQGTPCEILX-KBAYOESNSA-N 2 2 359.426 2.377 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364871152 555420910 /nfs/dbraw/zinc/42/09/10/555420910.db2.gz QXNNSOGXIDNOTA-INIZCTEOSA-N 2 2 374.485 2.418 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364871152 555420912 /nfs/dbraw/zinc/42/09/12/555420912.db2.gz QXNNSOGXIDNOTA-INIZCTEOSA-N 2 2 374.485 2.418 20 5 FEBDLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000365231871 555517694 /nfs/dbraw/zinc/51/76/94/555517694.db2.gz ZWUJHAGMKDWKFL-KRWDZBQOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000365231871 555517697 /nfs/dbraw/zinc/51/76/97/555517697.db2.gz ZWUJHAGMKDWKFL-KRWDZBQOSA-N 2 2 360.458 2.144 20 5 FEBDLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000367674192 556111050 /nfs/dbraw/zinc/11/10/50/556111050.db2.gz UNWUHVWETUYCHG-HNNXBMFYSA-N 2 2 373.457 2.195 20 5 FEBDLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000367674192 556111053 /nfs/dbraw/zinc/11/10/53/556111053.db2.gz UNWUHVWETUYCHG-HNNXBMFYSA-N 2 2 373.457 2.195 20 5 FEBDLP Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105540 556220482 /nfs/dbraw/zinc/22/04/82/556220482.db2.gz TUCLQPDXZGLHSJ-DYVFJYSZSA-N 2 2 352.398 2.288 20 5 FEBDLP Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105540 556220486 /nfs/dbraw/zinc/22/04/86/556220486.db2.gz TUCLQPDXZGLHSJ-DYVFJYSZSA-N 2 2 352.398 2.288 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777563 562143589 /nfs/dbraw/zinc/14/35/89/562143589.db2.gz VWENNSURUXWWBR-AAEUAGOBSA-N 2 2 371.384 2.289 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777563 562143590 /nfs/dbraw/zinc/14/35/90/562143590.db2.gz VWENNSURUXWWBR-AAEUAGOBSA-N 2 2 371.384 2.289 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374730618 557922419 /nfs/dbraw/zinc/92/24/19/557922419.db2.gz YSSREJVBAWGQLX-HNNXBMFYSA-N 2 2 360.458 2.203 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374730618 557922421 /nfs/dbraw/zinc/92/24/21/557922421.db2.gz YSSREJVBAWGQLX-HNNXBMFYSA-N 2 2 360.458 2.203 20 5 FEBDLP CC[NH+]1CCC([N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)CC1 ZINC000378300772 558524147 /nfs/dbraw/zinc/52/41/47/558524147.db2.gz ZIQQXDPLMUIYAJ-UHFFFAOYSA-N 2 2 372.469 2.433 20 5 FEBDLP CC[NH+]1CCC([N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)CC1 ZINC000378300772 558524148 /nfs/dbraw/zinc/52/41/48/558524148.db2.gz ZIQQXDPLMUIYAJ-UHFFFAOYSA-N 2 2 372.469 2.433 20 5 FEBDLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032487 559615859 /nfs/dbraw/zinc/61/58/59/559615859.db2.gz FLPONQWHERNHJD-HUUCEWRRSA-N 2 2 369.487 2.269 20 5 FEBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)n1 ZINC000423224268 559623206 /nfs/dbraw/zinc/62/32/06/559623206.db2.gz BOZZEBYTYRTOBJ-HOTGVXAUSA-N 2 2 371.445 2.192 20 5 FEBDLP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)n1 ZINC000423224267 559623258 /nfs/dbraw/zinc/62/32/58/559623258.db2.gz BOZZEBYTYRTOBJ-CVEARBPZSA-N 2 2 371.445 2.192 20 5 FEBDLP CCN(CCC[NH+](C)C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000425259791 559693786 /nfs/dbraw/zinc/69/37/86/559693786.db2.gz VZBZKGVRLHVEBN-UHFFFAOYSA-N 2 2 350.463 2.205 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380627 559921846 /nfs/dbraw/zinc/92/18/46/559921846.db2.gz SAJGVYOASYYPTR-WDEREUQCSA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380627 559921847 /nfs/dbraw/zinc/92/18/47/559921847.db2.gz SAJGVYOASYYPTR-WDEREUQCSA-N 2 2 359.373 2.416 20 5 FEBDLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448710216 560195732 /nfs/dbraw/zinc/19/57/32/560195732.db2.gz SSHRDCYLWPMAGX-LSDHHAIUSA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448710216 560195733 /nfs/dbraw/zinc/19/57/33/560195733.db2.gz SSHRDCYLWPMAGX-LSDHHAIUSA-N 2 2 355.398 2.137 20 5 FEBDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496145 560231845 /nfs/dbraw/zinc/23/18/45/560231845.db2.gz ISVMFBBNSHCFMM-IBGZPJMESA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496145 560231846 /nfs/dbraw/zinc/23/18/46/560231846.db2.gz ISVMFBBNSHCFMM-IBGZPJMESA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496145 560231847 /nfs/dbraw/zinc/23/18/47/560231847.db2.gz ISVMFBBNSHCFMM-IBGZPJMESA-N 2 2 374.485 2.361 20 5 FEBDLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449871612 560243420 /nfs/dbraw/zinc/24/34/20/560243420.db2.gz TWXCEGVZJNOTTP-CQSZACIVSA-N 2 2 357.414 2.194 20 5 FEBDLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449871612 560243421 /nfs/dbraw/zinc/24/34/21/560243421.db2.gz TWXCEGVZJNOTTP-CQSZACIVSA-N 2 2 357.414 2.194 20 5 FEBDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548017 560313885 /nfs/dbraw/zinc/31/38/85/560313885.db2.gz LYOSBYOHTZSULR-WMZOPIPTSA-N 2 2 374.485 2.327 20 5 FEBDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548017 560313886 /nfs/dbraw/zinc/31/38/86/560313886.db2.gz LYOSBYOHTZSULR-WMZOPIPTSA-N 2 2 374.485 2.327 20 5 FEBDLP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+](C2CC2)C1 ZINC000452164450 560354198 /nfs/dbraw/zinc/35/41/98/560354198.db2.gz NVGZPUBEGFDBPC-AWEZNQCLSA-N 2 2 369.425 2.337 20 5 FEBDLP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+](C2CC2)C1 ZINC000452164450 560354199 /nfs/dbraw/zinc/35/41/99/560354199.db2.gz NVGZPUBEGFDBPC-AWEZNQCLSA-N 2 2 369.425 2.337 20 5 FEBDLP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456350744 560516722 /nfs/dbraw/zinc/51/67/22/560516722.db2.gz LZWZGXCCMFNOQV-HNNXBMFYSA-N 2 2 357.414 2.337 20 5 FEBDLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456350744 560516723 /nfs/dbraw/zinc/51/67/23/560516723.db2.gz LZWZGXCCMFNOQV-HNNXBMFYSA-N 2 2 357.414 2.337 20 5 FEBDLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000457105484 560549079 /nfs/dbraw/zinc/54/90/79/560549079.db2.gz CMOXRAQIPQONPP-HNNXBMFYSA-N 2 2 357.414 2.335 20 5 FEBDLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000457105484 560549081 /nfs/dbraw/zinc/54/90/81/560549081.db2.gz CMOXRAQIPQONPP-HNNXBMFYSA-N 2 2 357.414 2.335 20 5 FEBDLP COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000475563021 561099935 /nfs/dbraw/zinc/09/99/35/561099935.db2.gz BCXXUNJXZVVCBN-CQSZACIVSA-N 2 2 374.397 2.249 20 5 FEBDLP COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000475563021 561099936 /nfs/dbraw/zinc/09/99/36/561099936.db2.gz BCXXUNJXZVVCBN-CQSZACIVSA-N 2 2 374.397 2.249 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865470 562520170 /nfs/dbraw/zinc/52/01/70/562520170.db2.gz OBLQZOKKWOLNNM-AWEZNQCLSA-N 2 2 357.414 2.455 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865470 562520171 /nfs/dbraw/zinc/52/01/71/562520171.db2.gz OBLQZOKKWOLNNM-AWEZNQCLSA-N 2 2 357.414 2.455 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000610250243 675961012 /nfs/dbraw/zinc/96/10/12/675961012.db2.gz HTHFVVODIDUDEB-HNNXBMFYSA-N 2 2 350.438 2.334 20 5 FEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000610250243 675961013 /nfs/dbraw/zinc/96/10/13/675961013.db2.gz HTHFVVODIDUDEB-HNNXBMFYSA-N 2 2 350.438 2.334 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000582845665 672039573 /nfs/dbraw/zinc/03/95/73/672039573.db2.gz GPSJXANNMPHORU-KGYLQXTDSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000582845665 672039576 /nfs/dbraw/zinc/03/95/76/672039576.db2.gz GPSJXANNMPHORU-KGYLQXTDSA-N 2 2 352.822 2.246 20 5 FEBDLP CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000566524130 675221349 /nfs/dbraw/zinc/22/13/49/675221349.db2.gz QIYBDXKFVVBPQD-UHFFFAOYSA-N 2 2 350.467 2.090 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000768712161 680955830 /nfs/dbraw/zinc/95/58/30/680955830.db2.gz KDUZPUXGWUFQLD-ZDUSSCGKSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000768712161 680955831 /nfs/dbraw/zinc/95/58/31/680955831.db2.gz KDUZPUXGWUFQLD-ZDUSSCGKSA-N 2 2 366.849 2.147 20 5 FEBDLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717812 684139062 /nfs/dbraw/zinc/13/90/62/684139062.db2.gz PTVQRINVRSSAMR-LRDDRELGSA-N 2 2 350.394 2.136 20 5 FEBDLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717812 684139065 /nfs/dbraw/zinc/13/90/65/684139065.db2.gz PTVQRINVRSSAMR-LRDDRELGSA-N 2 2 350.394 2.136 20 5 FEBDLP C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000032482371 539941116 /nfs/dbraw/zinc/94/11/16/539941116.db2.gz DLIJPWFHSXVJRZ-INIZCTEOSA-N 2 2 369.381 2.406 20 5 FEBDLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000129424581 544111506 /nfs/dbraw/zinc/11/15/06/544111506.db2.gz PTDMCJOSZCHPPT-KDOFPFPSSA-N 2 2 369.425 2.264 20 5 FEBDLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000129424581 544111509 /nfs/dbraw/zinc/11/15/09/544111509.db2.gz PTDMCJOSZCHPPT-KDOFPFPSSA-N 2 2 369.425 2.264 20 5 FEBDLP CCc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000174151391 327309237 /nfs/dbraw/zinc/30/92/37/327309237.db2.gz XWUDQBBPRVOTLN-UHFFFAOYSA-N 2 2 374.485 2.446 20 5 FEBDLP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272846081 550473349 /nfs/dbraw/zinc/47/33/49/550473349.db2.gz GXCODDNUDSFKBS-ZDUSSCGKSA-N 2 2 355.398 2.161 20 5 FEBDLP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272846081 550473350 /nfs/dbraw/zinc/47/33/50/550473350.db2.gz GXCODDNUDSFKBS-ZDUSSCGKSA-N 2 2 355.398 2.161 20 5 FEBDLP CC(=O)N1CC[NH+](CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000272865360 550474136 /nfs/dbraw/zinc/47/41/36/550474136.db2.gz RKZXUCHUCZVCCZ-UHFFFAOYSA-N 2 2 357.414 2.027 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285605569 551781693 /nfs/dbraw/zinc/78/16/93/551781693.db2.gz PUNVYBFHVBGXAB-IBGZPJMESA-N 2 2 355.442 2.389 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285605569 551781695 /nfs/dbraw/zinc/78/16/95/551781695.db2.gz PUNVYBFHVBGXAB-IBGZPJMESA-N 2 2 355.442 2.389 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285605569 551781697 /nfs/dbraw/zinc/78/16/97/551781697.db2.gz PUNVYBFHVBGXAB-IBGZPJMESA-N 2 2 355.442 2.389 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285605569 551781699 /nfs/dbraw/zinc/78/16/99/551781699.db2.gz PUNVYBFHVBGXAB-IBGZPJMESA-N 2 2 355.442 2.389 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362080671 554948536 /nfs/dbraw/zinc/94/85/36/554948536.db2.gz SZWXFCDVFWVRHJ-MAUKXSAKSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362080671 554948537 /nfs/dbraw/zinc/94/85/37/554948537.db2.gz SZWXFCDVFWVRHJ-MAUKXSAKSA-N 2 2 362.474 2.061 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@H](C)C2)s1 ZINC000368950712 556457214 /nfs/dbraw/zinc/45/72/14/556457214.db2.gz NHIKERCZSAVXRM-DOMZBBRYSA-N 2 2 364.475 2.056 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@H](C)C2)s1 ZINC000368950712 556457215 /nfs/dbraw/zinc/45/72/15/556457215.db2.gz NHIKERCZSAVXRM-DOMZBBRYSA-N 2 2 364.475 2.056 20 5 FEBDLP C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370147947 556794316 /nfs/dbraw/zinc/79/43/16/556794316.db2.gz HLTBPTDJCCXINX-WMLDXEAASA-N 2 2 373.457 2.194 20 5 FEBDLP C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370147947 556794318 /nfs/dbraw/zinc/79/43/18/556794318.db2.gz HLTBPTDJCCXINX-WMLDXEAASA-N 2 2 373.457 2.194 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374871254 557944118 /nfs/dbraw/zinc/94/41/18/557944118.db2.gz CPUKKCLBBMETKG-KSSFIOAISA-N 2 2 360.458 2.378 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374871254 557944119 /nfs/dbraw/zinc/94/41/19/557944119.db2.gz CPUKKCLBBMETKG-KSSFIOAISA-N 2 2 360.458 2.378 20 5 FEBDLP COc1cc(C[NH2+]CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414808844 559188875 /nfs/dbraw/zinc/18/88/75/559188875.db2.gz UKKGMPNMMCKFOT-UHFFFAOYSA-N 2 2 351.325 2.371 20 5 FEBDLP C[NH+](C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000421681743 559549232 /nfs/dbraw/zinc/54/92/32/559549232.db2.gz ZASZCFKBMHSKAE-UHFFFAOYSA-N 2 2 357.414 2.383 20 5 FEBDLP C[NH+](C)C1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000421685743 559549393 /nfs/dbraw/zinc/54/93/93/559549393.db2.gz VHSHGXHPQKKIEN-UHFFFAOYSA-N 2 2 357.414 2.383 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000421767320 559552570 /nfs/dbraw/zinc/55/25/70/559552570.db2.gz ALWIDWLOFBGKMU-UHFFFAOYSA-N 2 2 362.474 2.310 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000421767320 559552571 /nfs/dbraw/zinc/55/25/71/559552571.db2.gz ALWIDWLOFBGKMU-UHFFFAOYSA-N 2 2 362.474 2.310 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371825 559921727 /nfs/dbraw/zinc/92/17/27/559921727.db2.gz OYZQDGRCPYMEHW-CMPLNLGQSA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435371825 559921728 /nfs/dbraw/zinc/92/17/28/559921728.db2.gz OYZQDGRCPYMEHW-CMPLNLGQSA-N 2 2 359.373 2.416 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+](CC)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435628879 559926871 /nfs/dbraw/zinc/92/68/71/559926871.db2.gz WDIHSJWZESYRNS-AWEZNQCLSA-N 2 2 364.446 2.396 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435628879 559926872 /nfs/dbraw/zinc/92/68/72/559926872.db2.gz WDIHSJWZESYRNS-AWEZNQCLSA-N 2 2 364.446 2.396 20 5 FEBDLP C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448710773 560195903 /nfs/dbraw/zinc/19/59/03/560195903.db2.gz VBCNGHVDEOFPNO-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000449931058 560245612 /nfs/dbraw/zinc/24/56/12/560245612.db2.gz XWALEBNSBCUYBF-DZGCQCFKSA-N 2 2 357.414 2.335 20 5 FEBDLP C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000449931058 560245613 /nfs/dbraw/zinc/24/56/13/560245613.db2.gz XWALEBNSBCUYBF-DZGCQCFKSA-N 2 2 357.414 2.335 20 5 FEBDLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450052198 560249267 /nfs/dbraw/zinc/24/92/67/560249267.db2.gz KSQAAVVPIQCBLU-CABCVRRESA-N 2 2 357.414 2.383 20 5 FEBDLP Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450182425 560253108 /nfs/dbraw/zinc/25/31/08/560253108.db2.gz CHTGFGSOCAIZED-UHFFFAOYSA-N 2 2 368.397 2.448 20 5 FEBDLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000533866799 562520197 /nfs/dbraw/zinc/52/01/97/562520197.db2.gz MSQAWPIIPKYAJG-CYBMUJFWSA-N 2 2 373.413 2.155 20 5 FEBDLP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000533866799 562520198 /nfs/dbraw/zinc/52/01/98/562520198.db2.gz MSQAWPIIPKYAJG-CYBMUJFWSA-N 2 2 373.413 2.155 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000534309285 562531100 /nfs/dbraw/zinc/53/11/00/562531100.db2.gz XSZBQGYRUSZDGS-ZDUSSCGKSA-N 2 2 373.413 2.155 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000534309285 562531101 /nfs/dbraw/zinc/53/11/01/562531101.db2.gz XSZBQGYRUSZDGS-ZDUSSCGKSA-N 2 2 373.413 2.155 20 5 FEBDLP C[NH+](C)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582574423 672014232 /nfs/dbraw/zinc/01/42/32/672014232.db2.gz FWQTXLYVUOUXAK-UHFFFAOYSA-N 2 2 363.199 2.241 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000582845664 672039494 /nfs/dbraw/zinc/03/94/94/672039494.db2.gz GPSJXANNMPHORU-CYZMBNFOSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000582845664 672039497 /nfs/dbraw/zinc/03/94/97/672039497.db2.gz GPSJXANNMPHORU-CYZMBNFOSA-N 2 2 352.822 2.246 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596837614 673418585 /nfs/dbraw/zinc/41/85/85/673418585.db2.gz HHXSWTQMEMLBJI-UHFFFAOYSA-N 2 2 351.451 2.217 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596837614 673418587 /nfs/dbraw/zinc/41/85/87/673418587.db2.gz HHXSWTQMEMLBJI-UHFFFAOYSA-N 2 2 351.451 2.217 20 5 FEBDLP CCC1([NH+](C)C)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000602966804 673914945 /nfs/dbraw/zinc/91/49/45/673914945.db2.gz RMIMSEAGXGPPIP-HNNXBMFYSA-N 2 2 351.447 2.141 20 5 FEBDLP C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032247118 539931843 /nfs/dbraw/zinc/93/18/43/539931843.db2.gz XOEWDIAMCSHEME-CQSZACIVSA-N 2 2 357.414 2.385 20 5 FEBDLP CC[NH2+]CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000236860720 328496307 /nfs/dbraw/zinc/49/63/07/328496307.db2.gz DWDWUWZYQWLPLL-UHFFFAOYSA-N 2 2 357.414 2.242 20 5 FEBDLP C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])s2)([NH+]2CCCCC2)CC1 ZINC000172752549 327216914 /nfs/dbraw/zinc/21/69/14/327216914.db2.gz ZZQRKZSLDBTYFP-UHFFFAOYSA-N 2 2 366.487 2.336 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173614148 327271254 /nfs/dbraw/zinc/27/12/54/327271254.db2.gz BKGDZEHOTNILOL-CYBMUJFWSA-N 2 2 364.446 2.393 20 5 FEBDLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267246263 329306584 /nfs/dbraw/zinc/30/65/84/329306584.db2.gz LMPUBLQLWXVLRK-UHFFFAOYSA-N 2 2 362.474 2.015 20 5 FEBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000368345794 556283767 /nfs/dbraw/zinc/28/37/67/556283767.db2.gz CTTIIZSONCCWAZ-QGZVFWFLSA-N 2 2 363.458 2.331 20 5 FEBDLP CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830449 556982534 /nfs/dbraw/zinc/98/25/34/556982534.db2.gz NHJDQUVLAPJWQJ-MEQKGCOVSA-N 2 2 372.469 2.235 20 5 FEBDLP CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830449 556982536 /nfs/dbraw/zinc/98/25/36/556982536.db2.gz NHJDQUVLAPJWQJ-MEQKGCOVSA-N 2 2 372.469 2.235 20 5 FEBDLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307769 559356849 /nfs/dbraw/zinc/35/68/49/559356849.db2.gz HGNSSBISLWQVJY-QZTJIDSGSA-N 2 2 360.458 2.292 20 5 FEBDLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307769 559356850 /nfs/dbraw/zinc/35/68/50/559356850.db2.gz HGNSSBISLWQVJY-QZTJIDSGSA-N 2 2 360.458 2.292 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399772 559485523 /nfs/dbraw/zinc/48/55/23/559485523.db2.gz OHVTXAPJFIMBEJ-BBRMVZONSA-N 2 2 362.430 2.006 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399772 559485524 /nfs/dbraw/zinc/48/55/24/559485524.db2.gz OHVTXAPJFIMBEJ-BBRMVZONSA-N 2 2 362.430 2.006 20 5 FEBDLP O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420951690 559513880 /nfs/dbraw/zinc/51/38/80/559513880.db2.gz SRHSWZZQEPGHAE-UHFFFAOYSA-N 2 2 368.437 2.380 20 5 FEBDLP O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420951690 559513881 /nfs/dbraw/zinc/51/38/81/559513881.db2.gz SRHSWZZQEPGHAE-UHFFFAOYSA-N 2 2 368.437 2.380 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430596885 559824220 /nfs/dbraw/zinc/82/42/20/559824220.db2.gz XYIVAMXKQCSQNI-IUODEOHRSA-N 2 2 350.419 2.134 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430596885 559824221 /nfs/dbraw/zinc/82/42/21/559824221.db2.gz XYIVAMXKQCSQNI-IUODEOHRSA-N 2 2 350.419 2.134 20 5 FEBDLP C[NH+]1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450500851 560264072 /nfs/dbraw/zinc/26/40/72/560264072.db2.gz OGKSKIYEKSSNTC-UHFFFAOYSA-N 2 2 357.414 2.242 20 5 FEBDLP CC[C@H](C)[NH+]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000450859556 560275989 /nfs/dbraw/zinc/27/59/89/560275989.db2.gz MZXTYVPALZVGNN-INIZCTEOSA-N 2 2 362.474 2.348 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000569422988 568401758 /nfs/dbraw/zinc/40/17/58/568401758.db2.gz JYSZQZKVAFLMPP-MRXNPFEDSA-N 2 2 372.473 2.071 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000569422988 568401759 /nfs/dbraw/zinc/40/17/59/568401759.db2.gz JYSZQZKVAFLMPP-MRXNPFEDSA-N 2 2 372.473 2.071 20 5 FEBDLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000841100397 680863342 /nfs/dbraw/zinc/86/33/42/680863342.db2.gz XNXUVXJGQCRZJH-CYBMUJFWSA-N 2 2 350.810 2.136 20 5 FEBDLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000841100397 680863343 /nfs/dbraw/zinc/86/33/43/680863343.db2.gz XNXUVXJGQCRZJH-CYBMUJFWSA-N 2 2 350.810 2.136 20 5 FEBDLP CC1CC[NH+](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000054779561 540609197 /nfs/dbraw/zinc/60/91/97/540609197.db2.gz ZIJUNVBLVMLNFU-UHFFFAOYSA-N 2 2 357.414 2.242 20 5 FEBDLP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000153240676 544750507 /nfs/dbraw/zinc/75/05/07/544750507.db2.gz JHOCODQYLIOCBP-UHFFFAOYSA-N 2 2 360.458 2.160 20 5 FEBDLP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000153240676 544750511 /nfs/dbraw/zinc/75/05/11/544750511.db2.gz JHOCODQYLIOCBP-UHFFFAOYSA-N 2 2 360.458 2.160 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000120273016 326245545 /nfs/dbraw/zinc/24/55/45/326245545.db2.gz JWIQBGFUIDEHEH-UHFFFAOYSA-N 2 2 363.462 2.359 20 5 FEBDLP C[NH+]1CCC(CNC(=O)c2csc([N+](=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000172753909 327217236 /nfs/dbraw/zinc/21/72/36/327217236.db2.gz WTVQBSOGJXNHHL-UHFFFAOYSA-N 2 2 366.487 2.336 20 5 FEBDLP C[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000172754408 327217279 /nfs/dbraw/zinc/21/72/79/327217279.db2.gz LECKMEZIFMBMEV-UHFFFAOYSA-N 2 2 374.485 2.204 20 5 FEBDLP CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084936 330173940 /nfs/dbraw/zinc/17/39/40/330173940.db2.gz MZBZAFNRAHZZEG-IRXDYDNUSA-N 2 2 360.458 2.247 20 5 FEBDLP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084936 330173941 /nfs/dbraw/zinc/17/39/41/330173941.db2.gz MZBZAFNRAHZZEG-IRXDYDNUSA-N 2 2 360.458 2.247 20 5 FEBDLP C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000182218258 547455677 /nfs/dbraw/zinc/45/56/77/547455677.db2.gz JUQJNNLSBQFNIE-VYDXJSESSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000182218258 547455683 /nfs/dbraw/zinc/45/56/83/547455683.db2.gz JUQJNNLSBQFNIE-VYDXJSESSA-N 2 2 360.414 2.114 20 5 FEBDLP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435953 549132515 /nfs/dbraw/zinc/13/25/15/549132515.db2.gz CUOKRCGSVSUBMZ-WMLDXEAASA-N 2 2 358.442 2.142 20 5 FEBDLP NC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435953 549132521 /nfs/dbraw/zinc/13/25/21/549132521.db2.gz CUOKRCGSVSUBMZ-WMLDXEAASA-N 2 2 358.442 2.142 20 5 FEBDLP NC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435953 549132524 /nfs/dbraw/zinc/13/25/24/549132524.db2.gz CUOKRCGSVSUBMZ-WMLDXEAASA-N 2 2 358.442 2.142 20 5 FEBDLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000252656437 549675651 /nfs/dbraw/zinc/67/56/51/549675651.db2.gz GJSCUXJNEYMIQI-JKSUJKDBSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000252656437 549675655 /nfs/dbraw/zinc/67/56/55/549675655.db2.gz GJSCUXJNEYMIQI-JKSUJKDBSA-N 2 2 369.425 2.337 20 5 FEBDLP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261819592 549758622 /nfs/dbraw/zinc/75/86/22/549758622.db2.gz SFERUEXVUWTZSB-ZWKOTPCHSA-N 2 2 354.410 2.350 20 5 FEBDLP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261819592 549758626 /nfs/dbraw/zinc/75/86/26/549758626.db2.gz SFERUEXVUWTZSB-ZWKOTPCHSA-N 2 2 354.410 2.350 20 5 FEBDLP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000332381719 554435479 /nfs/dbraw/zinc/43/54/79/554435479.db2.gz HEPIGTYIOOJQNC-KDOFPFPSSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000332381719 554435481 /nfs/dbraw/zinc/43/54/81/554435481.db2.gz HEPIGTYIOOJQNC-KDOFPFPSSA-N 2 2 350.438 2.192 20 5 FEBDLP CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332435678 554445747 /nfs/dbraw/zinc/44/57/47/554445747.db2.gz GYWMYEDBHSFMNW-KRWDZBQOSA-N 2 2 357.414 2.193 20 5 FEBDLP CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000332435678 554445749 /nfs/dbraw/zinc/44/57/49/554445749.db2.gz GYWMYEDBHSFMNW-KRWDZBQOSA-N 2 2 357.414 2.193 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000365794937 555669023 /nfs/dbraw/zinc/66/90/23/555669023.db2.gz LWQJQTXLYHQWLB-CZUORRHYSA-N 2 2 364.402 2.094 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@@H](C)C2)s1 ZINC000368963713 556460786 /nfs/dbraw/zinc/46/07/86/556460786.db2.gz CDXMSCGNDYTNDF-LRDDRELGSA-N 2 2 364.475 2.056 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@@H](C)C2)s1 ZINC000368963713 556460789 /nfs/dbraw/zinc/46/07/89/556460789.db2.gz CDXMSCGNDYTNDF-LRDDRELGSA-N 2 2 364.475 2.056 20 5 FEBDLP Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370847607 556989302 /nfs/dbraw/zinc/98/93/02/556989302.db2.gz ZWUOGFSWFLZLRF-MRXNPFEDSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370847607 556989303 /nfs/dbraw/zinc/98/93/03/556989303.db2.gz ZWUOGFSWFLZLRF-MRXNPFEDSA-N 2 2 360.458 2.144 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413438783 559107770 /nfs/dbraw/zinc/10/77/70/559107770.db2.gz MLIVAGRQHZEXJV-RBUKOAKNSA-N 2 2 374.485 2.183 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413438783 559107771 /nfs/dbraw/zinc/10/77/71/559107771.db2.gz MLIVAGRQHZEXJV-RBUKOAKNSA-N 2 2 374.485 2.183 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380626 559921806 /nfs/dbraw/zinc/92/18/06/559921806.db2.gz SAJGVYOASYYPTR-QWRGUYRKSA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380626 559921807 /nfs/dbraw/zinc/92/18/07/559921807.db2.gz SAJGVYOASYYPTR-QWRGUYRKSA-N 2 2 359.373 2.416 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435628880 559926782 /nfs/dbraw/zinc/92/67/82/559926782.db2.gz WDIHSJWZESYRNS-CQSZACIVSA-N 2 2 364.446 2.396 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435628880 559926783 /nfs/dbraw/zinc/92/67/83/559926783.db2.gz WDIHSJWZESYRNS-CQSZACIVSA-N 2 2 364.446 2.396 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447812092 560169739 /nfs/dbraw/zinc/16/97/39/560169739.db2.gz JPBWYQANMXKHRP-MRXNPFEDSA-N 2 2 371.441 2.154 20 5 FEBDLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448726842 560196771 /nfs/dbraw/zinc/19/67/71/560196771.db2.gz VGXFBQYRPPQKHP-HUUCEWRRSA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448726842 560196773 /nfs/dbraw/zinc/19/67/73/560196773.db2.gz VGXFBQYRPPQKHP-HUUCEWRRSA-N 2 2 355.398 2.137 20 5 FEBDLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449350348 560226246 /nfs/dbraw/zinc/22/62/46/560226246.db2.gz VAPHOXJGOVGZKW-INIZCTEOSA-N 2 2 362.474 2.042 20 5 FEBDLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449350348 560226251 /nfs/dbraw/zinc/22/62/51/560226251.db2.gz VAPHOXJGOVGZKW-INIZCTEOSA-N 2 2 362.474 2.042 20 5 FEBDLP C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000449931061 560245691 /nfs/dbraw/zinc/24/56/91/560245691.db2.gz XWALEBNSBCUYBF-ZFWWWQNUSA-N 2 2 357.414 2.335 20 5 FEBDLP C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000449931061 560245692 /nfs/dbraw/zinc/24/56/92/560245692.db2.gz XWALEBNSBCUYBF-ZFWWWQNUSA-N 2 2 357.414 2.335 20 5 FEBDLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450096234 560250566 /nfs/dbraw/zinc/25/05/66/560250566.db2.gz GOCDAFRVMGKSFQ-DZGCQCFKSA-N 2 2 357.414 2.239 20 5 FEBDLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450096234 560250567 /nfs/dbraw/zinc/25/05/67/560250567.db2.gz GOCDAFRVMGKSFQ-DZGCQCFKSA-N 2 2 357.414 2.239 20 5 FEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000470173733 560976032 /nfs/dbraw/zinc/97/60/32/560976032.db2.gz NFEFGKZBVVJADP-XCTGESOMSA-N 2 2 372.469 2.237 20 5 FEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000470173733 560976033 /nfs/dbraw/zinc/97/60/33/560976033.db2.gz NFEFGKZBVVJADP-XCTGESOMSA-N 2 2 372.469 2.237 20 5 FEBDLP Cc1ccc(CCC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000474935940 561085828 /nfs/dbraw/zinc/08/58/28/561085828.db2.gz UOUDYAOMPAQJAY-UHFFFAOYSA-N 2 2 363.439 2.294 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866997 562520234 /nfs/dbraw/zinc/52/02/34/562520234.db2.gz PKOUJXMGYUBTHU-CQSZACIVSA-N 2 2 357.414 2.455 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866997 562520235 /nfs/dbraw/zinc/52/02/35/562520235.db2.gz PKOUJXMGYUBTHU-CQSZACIVSA-N 2 2 357.414 2.455 20 5 FEBDLP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000602966805 673914743 /nfs/dbraw/zinc/91/47/43/673914743.db2.gz RMIMSEAGXGPPIP-OAHLLOKOSA-N 2 2 351.447 2.141 20 5 FEBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843377332 681000621 /nfs/dbraw/zinc/00/06/21/681000621.db2.gz USHVHVAJUIPQCT-AWEZNQCLSA-N 2 2 354.838 2.068 20 5 FEBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843377332 681000622 /nfs/dbraw/zinc/00/06/22/681000622.db2.gz USHVHVAJUIPQCT-AWEZNQCLSA-N 2 2 354.838 2.068 20 5 FEBDLP CCc1nn(C)c(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000126865003 543960453 /nfs/dbraw/zinc/96/04/53/543960453.db2.gz MHAKXLCHPGYOFP-UHFFFAOYSA-N 2 2 364.494 2.253 20 5 FEBDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000091075550 325372553 /nfs/dbraw/zinc/37/25/53/325372553.db2.gz UIMUUNZUBMXLTG-UHFFFAOYSA-N 2 2 358.442 2.257 20 5 FEBDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000091075550 325372555 /nfs/dbraw/zinc/37/25/55/325372555.db2.gz UIMUUNZUBMXLTG-UHFFFAOYSA-N 2 2 358.442 2.257 20 5 FEBDLP CCc1cc(NC[C@@](C)(O)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000133005621 326601439 /nfs/dbraw/zinc/60/14/39/326601439.db2.gz GYZGQLZITJFRMO-GOSISDBHSA-N 2 2 359.430 2.339 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155320452 545511062 /nfs/dbraw/zinc/51/10/62/545511062.db2.gz CRQJVCPWESKOQQ-MAUKXSAKSA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155320452 545511065 /nfs/dbraw/zinc/51/10/65/545511065.db2.gz CRQJVCPWESKOQQ-MAUKXSAKSA-N 2 2 362.474 2.497 20 5 FEBDLP C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177036943 546529071 /nfs/dbraw/zinc/52/90/71/546529071.db2.gz JGVCBHQSYMMFDK-OCCSQVGLSA-N 2 2 355.398 2.136 20 5 FEBDLP C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177036943 546529072 /nfs/dbraw/zinc/52/90/72/546529072.db2.gz JGVCBHQSYMMFDK-OCCSQVGLSA-N 2 2 355.398 2.136 20 5 FEBDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890551 549236581 /nfs/dbraw/zinc/23/65/81/549236581.db2.gz MANYGCVNZMMOLW-ZTFGCOKTSA-N 2 2 358.442 2.116 20 5 FEBDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890551 549236585 /nfs/dbraw/zinc/23/65/85/549236585.db2.gz MANYGCVNZMMOLW-ZTFGCOKTSA-N 2 2 358.442 2.116 20 5 FEBDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890551 549236588 /nfs/dbraw/zinc/23/65/88/549236588.db2.gz MANYGCVNZMMOLW-ZTFGCOKTSA-N 2 2 358.442 2.116 20 5 FEBDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890551 549236591 /nfs/dbraw/zinc/23/65/91/549236591.db2.gz MANYGCVNZMMOLW-ZTFGCOKTSA-N 2 2 358.442 2.116 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000284115493 551486379 /nfs/dbraw/zinc/48/63/79/551486379.db2.gz OZIRASQLVMOERT-ZDUSSCGKSA-N 2 2 354.401 2.085 20 5 FEBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000284115493 551486380 /nfs/dbraw/zinc/48/63/80/551486380.db2.gz OZIRASQLVMOERT-ZDUSSCGKSA-N 2 2 354.401 2.085 20 5 FEBDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000289863680 552391109 /nfs/dbraw/zinc/39/11/09/552391109.db2.gz VLECLZHXBMNTAM-UHFFFAOYSA-N 2 2 365.474 2.462 20 5 FEBDLP C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000290532944 552494100 /nfs/dbraw/zinc/49/41/00/552494100.db2.gz OIXKSBHHHQROQP-KBPBESRZSA-N 2 2 370.417 2.384 20 5 FEBDLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000331539954 554282591 /nfs/dbraw/zinc/28/25/91/554282591.db2.gz FQACLKCWBBPESV-YCPHGPKFSA-N 2 2 353.492 2.302 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362080672 554948640 /nfs/dbraw/zinc/94/86/40/554948640.db2.gz SZWXFCDVFWVRHJ-QAPCUYQASA-N 2 2 362.474 2.061 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362080672 554948641 /nfs/dbraw/zinc/94/86/41/554948641.db2.gz SZWXFCDVFWVRHJ-QAPCUYQASA-N 2 2 362.474 2.061 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369272320 556559277 /nfs/dbraw/zinc/55/92/77/556559277.db2.gz AYYJQNAGCQYMQM-GFCCVEGCSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369272320 556559278 /nfs/dbraw/zinc/55/92/78/556559278.db2.gz AYYJQNAGCQYMQM-GFCCVEGCSA-N 2 2 366.849 2.147 20 5 FEBDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721392 556677982 /nfs/dbraw/zinc/67/79/82/556677982.db2.gz DQPXCONIIGYFBU-VNQPRFMTSA-N 2 2 373.457 2.450 20 5 FEBDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721392 556677985 /nfs/dbraw/zinc/67/79/85/556677985.db2.gz DQPXCONIIGYFBU-VNQPRFMTSA-N 2 2 373.457 2.450 20 5 FEBDLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000517652587 562094757 /nfs/dbraw/zinc/09/47/57/562094757.db2.gz JMFQBAKHVPOXEQ-UHFFFAOYSA-N 2 2 359.361 2.133 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373757804 557752687 /nfs/dbraw/zinc/75/26/87/557752687.db2.gz BJJHLAMYCFBABN-OAHLLOKOSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373757804 557752689 /nfs/dbraw/zinc/75/26/89/557752689.db2.gz BJJHLAMYCFBABN-OAHLLOKOSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373757804 557752690 /nfs/dbraw/zinc/75/26/90/557752690.db2.gz BJJHLAMYCFBABN-OAHLLOKOSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373757804 557752692 /nfs/dbraw/zinc/75/26/92/557752692.db2.gz BJJHLAMYCFBABN-OAHLLOKOSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000374255143 557851864 /nfs/dbraw/zinc/85/18/64/557851864.db2.gz IOHZQPBPRKVNGC-ZDUSSCGKSA-N 2 2 366.437 2.347 20 5 FEBDLP COc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000374255143 557851866 /nfs/dbraw/zinc/85/18/66/557851866.db2.gz IOHZQPBPRKVNGC-ZDUSSCGKSA-N 2 2 366.437 2.347 20 5 FEBDLP C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374914864 557950565 /nfs/dbraw/zinc/95/05/65/557950565.db2.gz OAPBZGVSURBYAZ-AWEZNQCLSA-N 2 2 350.438 2.334 20 5 FEBDLP C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374914864 557950567 /nfs/dbraw/zinc/95/05/67/557950567.db2.gz OAPBZGVSURBYAZ-AWEZNQCLSA-N 2 2 350.438 2.334 20 5 FEBDLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000414986653 559199101 /nfs/dbraw/zinc/19/91/01/559199101.db2.gz XZNXCYPTFXGNMI-SNVBAGLBSA-N 2 2 351.325 2.371 20 5 FEBDLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420368478 559483517 /nfs/dbraw/zinc/48/35/17/559483517.db2.gz ATFXIJDVZHKZFZ-AWEZNQCLSA-N 2 2 350.810 2.136 20 5 FEBDLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420368478 559483518 /nfs/dbraw/zinc/48/35/18/559483518.db2.gz ATFXIJDVZHKZFZ-AWEZNQCLSA-N 2 2 350.810 2.136 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000430212406 559815347 /nfs/dbraw/zinc/81/53/47/559815347.db2.gz MVCOUXQAHDHRLE-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430212406 559815348 /nfs/dbraw/zinc/81/53/48/559815348.db2.gz MVCOUXQAHDHRLE-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000430212406 559815349 /nfs/dbraw/zinc/81/53/49/559815349.db2.gz MVCOUXQAHDHRLE-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000430212406 559815350 /nfs/dbraw/zinc/81/53/50/559815350.db2.gz MVCOUXQAHDHRLE-UHFFFAOYSA-N 2 2 350.463 2.061 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380625 559921833 /nfs/dbraw/zinc/92/18/33/559921833.db2.gz SAJGVYOASYYPTR-MNOVXSKESA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380625 559921834 /nfs/dbraw/zinc/92/18/34/559921834.db2.gz SAJGVYOASYYPTR-MNOVXSKESA-N 2 2 359.373 2.416 20 5 FEBDLP CC(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448595661 560191959 /nfs/dbraw/zinc/19/19/59/560191959.db2.gz BMQGCBQWUJIFHE-UHFFFAOYSA-N 2 2 357.414 2.383 20 5 FEBDLP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC000450146947 560252141 /nfs/dbraw/zinc/25/21/41/560252141.db2.gz MJONSJUMEMHXSJ-HZPDHXFCSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC000450146947 560252142 /nfs/dbraw/zinc/25/21/42/560252142.db2.gz MJONSJUMEMHXSJ-HZPDHXFCSA-N 2 2 369.425 2.337 20 5 FEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000453273277 560385081 /nfs/dbraw/zinc/38/50/81/560385081.db2.gz VOVSCFCLZKNKDG-GDBMZVCRSA-N 2 2 351.447 2.491 20 5 FEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000453273277 560385082 /nfs/dbraw/zinc/38/50/82/560385082.db2.gz VOVSCFCLZKNKDG-GDBMZVCRSA-N 2 2 351.447 2.491 20 5 FEBDLP C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000458157561 560605898 /nfs/dbraw/zinc/60/58/98/560605898.db2.gz CQCRGCKTXWWZHV-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000458157561 560605899 /nfs/dbraw/zinc/60/58/99/560605899.db2.gz CQCRGCKTXWWZHV-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534254493 562528570 /nfs/dbraw/zinc/52/85/70/562528570.db2.gz XDCDPRLCNLWWJI-UHFFFAOYSA-N 2 2 373.457 2.174 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534254493 562528571 /nfs/dbraw/zinc/52/85/71/562528571.db2.gz XDCDPRLCNLWWJI-UHFFFAOYSA-N 2 2 373.457 2.174 20 5 FEBDLP CN(c1ccccc1)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000563136672 568269996 /nfs/dbraw/zinc/26/99/96/568269996.db2.gz GMPCHPCLBXOVKD-GOSISDBHSA-N 2 2 369.469 2.437 20 5 FEBDLP CN(c1ccccc1)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000563136672 568269997 /nfs/dbraw/zinc/26/99/97/568269997.db2.gz GMPCHPCLBXOVKD-GOSISDBHSA-N 2 2 369.469 2.437 20 5 FEBDLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000570474664 568478111 /nfs/dbraw/zinc/47/81/11/568478111.db2.gz MRBCVPAZTYEHJY-VQHPVUNQSA-N 2 2 365.478 2.364 20 5 FEBDLP CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596912166 673425343 /nfs/dbraw/zinc/42/53/43/673425343.db2.gz CNQBQRCENQWWQV-UHFFFAOYSA-N 2 2 351.451 2.162 20 5 FEBDLP CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596912166 673425345 /nfs/dbraw/zinc/42/53/45/673425345.db2.gz CNQBQRCENQWWQV-UHFFFAOYSA-N 2 2 351.451 2.162 20 5 FEBDLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000841100398 680863278 /nfs/dbraw/zinc/86/32/78/680863278.db2.gz XNXUVXJGQCRZJH-ZDUSSCGKSA-N 2 2 350.810 2.136 20 5 FEBDLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000841100398 680863279 /nfs/dbraw/zinc/86/32/79/680863279.db2.gz XNXUVXJGQCRZJH-ZDUSSCGKSA-N 2 2 350.810 2.136 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000060374104 541108641 /nfs/dbraw/zinc/10/86/41/541108641.db2.gz KMCJRJAZBLSACW-HNNXBMFYSA-N 2 2 355.398 2.091 20 5 FEBDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000104719064 543139295 /nfs/dbraw/zinc/13/92/95/543139295.db2.gz WBYWWUTWHZYBTJ-UHFFFAOYSA-N 2 2 358.398 2.329 20 5 FEBDLP O=C1[C@@H]([N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000154109621 544864786 /nfs/dbraw/zinc/86/47/86/544864786.db2.gz SFKKLLADTGCDIY-ROUUACIJSA-N 2 2 368.393 2.248 20 5 FEBDLP O=C1[C@@H]([N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000154109621 544864789 /nfs/dbraw/zinc/86/47/89/544864789.db2.gz SFKKLLADTGCDIY-ROUUACIJSA-N 2 2 368.393 2.248 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461263 325091889 /nfs/dbraw/zinc/09/18/89/325091889.db2.gz YNYISEFPSMYXRS-PBHICJAKSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461263 325091891 /nfs/dbraw/zinc/09/18/91/325091891.db2.gz YNYISEFPSMYXRS-PBHICJAKSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461263 325091894 /nfs/dbraw/zinc/09/18/94/325091894.db2.gz YNYISEFPSMYXRS-PBHICJAKSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461263 325091897 /nfs/dbraw/zinc/09/18/97/325091897.db2.gz YNYISEFPSMYXRS-PBHICJAKSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772784 327350016 /nfs/dbraw/zinc/35/00/16/327350016.db2.gz ZTZABZHEAQMNDO-PBHICJAKSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772784 327350018 /nfs/dbraw/zinc/35/00/18/327350018.db2.gz ZTZABZHEAQMNDO-PBHICJAKSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772784 327350019 /nfs/dbraw/zinc/35/00/19/327350019.db2.gz ZTZABZHEAQMNDO-PBHICJAKSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772784 327350021 /nfs/dbraw/zinc/35/00/21/327350021.db2.gz ZTZABZHEAQMNDO-PBHICJAKSA-N 2 2 360.458 2.146 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000156562046 545635596 /nfs/dbraw/zinc/63/55/96/545635596.db2.gz HOBYMHOBUZAEHF-GUYCJALGSA-N 2 2 373.413 2.322 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000156562046 545635599 /nfs/dbraw/zinc/63/55/99/545635599.db2.gz HOBYMHOBUZAEHF-GUYCJALGSA-N 2 2 373.413 2.322 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000156561911 545635945 /nfs/dbraw/zinc/63/59/45/545635945.db2.gz HOBYMHOBUZAEHF-DYVFJYSZSA-N 2 2 373.413 2.322 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000156561911 545635946 /nfs/dbraw/zinc/63/59/46/545635946.db2.gz HOBYMHOBUZAEHF-DYVFJYSZSA-N 2 2 373.413 2.322 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181061236 547241676 /nfs/dbraw/zinc/24/16/76/547241676.db2.gz FTOSFTHOSPWYSY-UHFFFAOYSA-N 2 2 361.402 2.151 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181061236 547241679 /nfs/dbraw/zinc/24/16/79/547241679.db2.gz FTOSFTHOSPWYSY-UHFFFAOYSA-N 2 2 361.402 2.151 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781067 561452667 /nfs/dbraw/zinc/45/26/67/561452667.db2.gz ACFOLVFGCAZDTC-WBVHZDCISA-N 2 2 362.474 2.061 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781067 561452668 /nfs/dbraw/zinc/45/26/68/561452668.db2.gz ACFOLVFGCAZDTC-WBVHZDCISA-N 2 2 362.474 2.061 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000362889389 554996405 /nfs/dbraw/zinc/99/64/05/554996405.db2.gz IJLROMNUSUJOCD-UHFFFAOYSA-N 2 2 369.425 2.481 20 5 FEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755082 555394654 /nfs/dbraw/zinc/39/46/54/555394654.db2.gz AJJYFYPSHBHWSJ-UNEWFSDZSA-N 2 2 364.402 2.187 20 5 FEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755082 555394656 /nfs/dbraw/zinc/39/46/56/555394656.db2.gz AJJYFYPSHBHWSJ-UNEWFSDZSA-N 2 2 364.402 2.187 20 5 FEBDLP Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105541 556220337 /nfs/dbraw/zinc/22/03/37/556220337.db2.gz TUCLQPDXZGLHSJ-GUYCJALGSA-N 2 2 352.398 2.288 20 5 FEBDLP Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105541 556220338 /nfs/dbraw/zinc/22/03/38/556220338.db2.gz TUCLQPDXZGLHSJ-GUYCJALGSA-N 2 2 352.398 2.288 20 5 FEBDLP COc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000518612243 562115346 /nfs/dbraw/zinc/11/53/46/562115346.db2.gz MDNXYBZOBAWGNZ-UHFFFAOYSA-N 2 2 371.397 2.003 20 5 FEBDLP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414940990 559196273 /nfs/dbraw/zinc/19/62/73/559196273.db2.gz CGEFOKKVGKGJSM-CMPLNLGQSA-N 2 2 359.373 2.477 20 5 FEBDLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000430552195 559822355 /nfs/dbraw/zinc/82/23/55/559822355.db2.gz MYSUIBNBRSYKNO-CQSZACIVSA-N 2 2 371.235 2.013 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430596886 559824078 /nfs/dbraw/zinc/82/40/78/559824078.db2.gz XYIVAMXKQCSQNI-SWLSCSKDSA-N 2 2 350.419 2.134 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430596886 559824079 /nfs/dbraw/zinc/82/40/79/559824079.db2.gz XYIVAMXKQCSQNI-SWLSCSKDSA-N 2 2 350.419 2.134 20 5 FEBDLP CC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448704779 560195328 /nfs/dbraw/zinc/19/53/28/560195328.db2.gz ORSWUHSOGDMNGP-UHFFFAOYSA-N 2 2 357.414 2.242 20 5 FEBDLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450234067 560255079 /nfs/dbraw/zinc/25/50/79/560255079.db2.gz PPNHAQPLXRFWRO-JKSUJKDBSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450234067 560255080 /nfs/dbraw/zinc/25/50/80/560255080.db2.gz PPNHAQPLXRFWRO-JKSUJKDBSA-N 2 2 369.425 2.337 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000535313874 562555698 /nfs/dbraw/zinc/55/56/98/562555698.db2.gz PCHKQQLJBDKHPT-CYBMUJFWSA-N 2 2 354.370 2.368 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000535313874 562555699 /nfs/dbraw/zinc/55/56/99/562555699.db2.gz PCHKQQLJBDKHPT-CYBMUJFWSA-N 2 2 354.370 2.368 20 5 FEBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261985333 672907069 /nfs/dbraw/zinc/90/70/69/672907069.db2.gz JSAIKZUHRNRIQK-CYBMUJFWSA-N 2 2 354.838 2.068 20 5 FEBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261985333 672907072 /nfs/dbraw/zinc/90/70/72/672907072.db2.gz JSAIKZUHRNRIQK-CYBMUJFWSA-N 2 2 354.838 2.068 20 5 FEBDLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000841100154 680863298 /nfs/dbraw/zinc/86/32/98/680863298.db2.gz VUYUVIUOXWHHOZ-CQSZACIVSA-N 2 2 350.810 2.136 20 5 FEBDLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000841100154 680863299 /nfs/dbraw/zinc/86/32/99/680863299.db2.gz VUYUVIUOXWHHOZ-CQSZACIVSA-N 2 2 350.810 2.136 20 5 FEBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052002119 540450830 /nfs/dbraw/zinc/45/08/30/540450830.db2.gz CXXLCSDPDKJZEQ-GOSISDBHSA-N 2 2 363.458 2.285 20 5 FEBDLP C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000129745272 544125813 /nfs/dbraw/zinc/12/58/13/544125813.db2.gz OZZSLQLNRVNXMQ-KSSFIOAISA-N 2 2 369.425 2.264 20 5 FEBDLP C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000129745272 544125815 /nfs/dbraw/zinc/12/58/15/544125815.db2.gz OZZSLQLNRVNXMQ-KSSFIOAISA-N 2 2 369.425 2.264 20 5 FEBDLP C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177036959 546529104 /nfs/dbraw/zinc/52/91/04/546529104.db2.gz JGVCBHQSYMMFDK-JSGCOSHPSA-N 2 2 355.398 2.136 20 5 FEBDLP C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177036959 546529107 /nfs/dbraw/zinc/52/91/07/546529107.db2.gz JGVCBHQSYMMFDK-JSGCOSHPSA-N 2 2 355.398 2.136 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000247367113 549324770 /nfs/dbraw/zinc/32/47/70/549324770.db2.gz HOBYMHOBUZAEHF-CXAGYDPISA-N 2 2 373.413 2.322 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000247367113 549324773 /nfs/dbraw/zinc/32/47/73/549324773.db2.gz HOBYMHOBUZAEHF-CXAGYDPISA-N 2 2 373.413 2.322 20 5 FEBDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000268812801 550118805 /nfs/dbraw/zinc/11/88/05/550118805.db2.gz DPLLELFJWDJJSF-WBVHZDCISA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000268812801 550118807 /nfs/dbraw/zinc/11/88/07/550118807.db2.gz DPLLELFJWDJJSF-WBVHZDCISA-N 2 2 362.474 2.497 20 5 FEBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000271192410 550350571 /nfs/dbraw/zinc/35/05/71/550350571.db2.gz XUBOVBXONFXVKD-LSDHHAIUSA-N 2 2 352.504 2.301 20 5 FEBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000271192410 550350574 /nfs/dbraw/zinc/35/05/74/550350574.db2.gz XUBOVBXONFXVKD-LSDHHAIUSA-N 2 2 352.504 2.301 20 5 FEBDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285840774 551817500 /nfs/dbraw/zinc/81/75/00/551817500.db2.gz YJQRZWQMDUMFTC-LNRIEFBSSA-N 2 2 360.458 2.329 20 5 FEBDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285840774 551817501 /nfs/dbraw/zinc/81/75/01/551817501.db2.gz YJQRZWQMDUMFTC-LNRIEFBSSA-N 2 2 360.458 2.329 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976182 556465685 /nfs/dbraw/zinc/46/56/85/556465685.db2.gz UNUVHMLSRLBAAC-RISCZKNCSA-N 2 2 364.475 2.093 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976182 556465687 /nfs/dbraw/zinc/46/56/87/556465687.db2.gz UNUVHMLSRLBAAC-RISCZKNCSA-N 2 2 364.475 2.093 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976183 556465727 /nfs/dbraw/zinc/46/57/27/556465727.db2.gz UNUVHMLSRLBAAC-SMDDNHRTSA-N 2 2 364.475 2.093 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976183 556465730 /nfs/dbraw/zinc/46/57/30/556465730.db2.gz UNUVHMLSRLBAAC-SMDDNHRTSA-N 2 2 364.475 2.093 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253984 556551108 /nfs/dbraw/zinc/55/11/08/556551108.db2.gz JCDBRTFJTNFUMQ-GFCCVEGCSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253984 556551111 /nfs/dbraw/zinc/55/11/11/556551111.db2.gz JCDBRTFJTNFUMQ-GFCCVEGCSA-N 2 2 366.849 2.147 20 5 FEBDLP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374906015 557948927 /nfs/dbraw/zinc/94/89/27/557948927.db2.gz BLPWOBDBDUYRHX-YOEHRIQHSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374906015 557948928 /nfs/dbraw/zinc/94/89/28/557948928.db2.gz BLPWOBDBDUYRHX-YOEHRIQHSA-N 2 2 350.438 2.192 20 5 FEBDLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000375237838 557996630 /nfs/dbraw/zinc/99/66/30/557996630.db2.gz GUMVWQSEDJBBDX-CZUORRHYSA-N 2 2 363.805 2.091 20 5 FEBDLP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000420320932 559480204 /nfs/dbraw/zinc/48/02/04/559480204.db2.gz UPCKKMQQPXXJJL-UHFFFAOYSA-N 2 2 356.426 2.427 20 5 FEBDLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000420320932 559480205 /nfs/dbraw/zinc/48/02/05/559480205.db2.gz UPCKKMQQPXXJJL-UHFFFAOYSA-N 2 2 356.426 2.427 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420366915 559483441 /nfs/dbraw/zinc/48/34/41/559483441.db2.gz VFJCBWHXAHSZNA-OAHLLOKOSA-N 2 2 350.419 2.039 20 5 FEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)n1 ZINC000423224270 559623160 /nfs/dbraw/zinc/62/31/60/559623160.db2.gz BOZZEBYTYRTOBJ-JKSUJKDBSA-N 2 2 371.445 2.192 20 5 FEBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471170104 560999641 /nfs/dbraw/zinc/99/96/41/560999641.db2.gz SSEMKUIAVIZWRU-ZDUSSCGKSA-N 2 2 371.397 2.496 20 5 FEBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471170104 560999642 /nfs/dbraw/zinc/99/96/42/560999642.db2.gz SSEMKUIAVIZWRU-ZDUSSCGKSA-N 2 2 371.397 2.496 20 5 FEBDLP COC(=O)COc1ccc(C[NH2+]CCc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000473996215 561063228 /nfs/dbraw/zinc/06/32/28/561063228.db2.gz WHZJKCWOBYMIPL-UHFFFAOYSA-N 2 2 359.382 2.182 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000533866401 562520098 /nfs/dbraw/zinc/52/00/98/562520098.db2.gz DMVBHWIZNYIMKD-CYBMUJFWSA-N 2 2 354.370 2.368 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000533866401 562520099 /nfs/dbraw/zinc/52/00/99/562520099.db2.gz DMVBHWIZNYIMKD-CYBMUJFWSA-N 2 2 354.370 2.368 20 5 FEBDLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000533866800 562520163 /nfs/dbraw/zinc/52/01/63/562520163.db2.gz MSQAWPIIPKYAJG-ZDUSSCGKSA-N 2 2 373.413 2.155 20 5 FEBDLP COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000533866800 562520164 /nfs/dbraw/zinc/52/01/64/562520164.db2.gz MSQAWPIIPKYAJG-ZDUSSCGKSA-N 2 2 373.413 2.155 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000535313878 562555824 /nfs/dbraw/zinc/55/58/24/562555824.db2.gz PCHKQQLJBDKHPT-ZDUSSCGKSA-N 2 2 354.370 2.368 20 5 FEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000535313878 562555825 /nfs/dbraw/zinc/55/58/25/562555825.db2.gz PCHKQQLJBDKHPT-ZDUSSCGKSA-N 2 2 354.370 2.368 20 5 FEBDLP COc1ccc(NC(=O)CC[N@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000124344705 543815386 /nfs/dbraw/zinc/81/53/86/543815386.db2.gz CFVWOOXHBMHWKD-UHFFFAOYSA-N 2 2 361.402 2.151 20 5 FEBDLP COc1ccc(NC(=O)CC[N@@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000124344705 543815389 /nfs/dbraw/zinc/81/53/89/543815389.db2.gz CFVWOOXHBMHWKD-UHFFFAOYSA-N 2 2 361.402 2.151 20 5 FEBDLP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000130807209 544165987 /nfs/dbraw/zinc/16/59/87/544165987.db2.gz ICQJNTTXSFSFPJ-UHFFFAOYSA-N 2 2 360.458 2.160 20 5 FEBDLP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000130807209 544165989 /nfs/dbraw/zinc/16/59/89/544165989.db2.gz ICQJNTTXSFSFPJ-UHFFFAOYSA-N 2 2 360.458 2.160 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000134074216 544293552 /nfs/dbraw/zinc/29/35/52/544293552.db2.gz ACKDUFWTIBGASU-UHFFFAOYSA-N 2 2 364.421 2.022 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237897125 328533268 /nfs/dbraw/zinc/53/32/68/328533268.db2.gz AHAKDFVIMHHEGG-UHFFFAOYSA-N 2 2 369.425 2.385 20 5 FEBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000367142625 330221735 /nfs/dbraw/zinc/22/17/35/330221735.db2.gz YXCFYEUTPXUPOP-OAHLLOKOSA-N 2 2 360.458 2.392 20 5 FEBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000367142625 330221736 /nfs/dbraw/zinc/22/17/36/330221736.db2.gz YXCFYEUTPXUPOP-OAHLLOKOSA-N 2 2 360.458 2.392 20 5 FEBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000159806121 545981841 /nfs/dbraw/zinc/98/18/41/545981841.db2.gz HUAHMCMYZBRFFL-KRWDZBQOSA-N 2 2 362.474 2.345 20 5 FEBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000159806121 545981846 /nfs/dbraw/zinc/98/18/46/545981846.db2.gz HUAHMCMYZBRFFL-KRWDZBQOSA-N 2 2 362.474 2.345 20 5 FEBDLP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184246752 547793965 /nfs/dbraw/zinc/79/39/65/547793965.db2.gz IZTOIOVPMTZGBW-UHFFFAOYSA-N 2 2 367.421 2.287 20 5 FEBDLP COc1cc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000184287856 547800821 /nfs/dbraw/zinc/80/08/21/547800821.db2.gz XDWHSMQOLALFOM-UHFFFAOYSA-N 2 2 368.453 2.200 20 5 FEBDLP COc1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000184287856 547800824 /nfs/dbraw/zinc/80/08/24/547800824.db2.gz XDWHSMQOLALFOM-UHFFFAOYSA-N 2 2 368.453 2.200 20 5 FEBDLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1n1cc[nH+]c1 ZINC000245680226 548973477 /nfs/dbraw/zinc/97/34/77/548973477.db2.gz OZZSLQLNRVNXMQ-RDTXWAMCSA-N 2 2 369.425 2.264 20 5 FEBDLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1n1cc[nH+]c1 ZINC000245680226 548973483 /nfs/dbraw/zinc/97/34/83/548973483.db2.gz OZZSLQLNRVNXMQ-RDTXWAMCSA-N 2 2 369.425 2.264 20 5 FEBDLP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCCn4cc[nH+]c4)CC3)nc2c1 ZINC000274864238 550560848 /nfs/dbraw/zinc/56/08/48/550560848.db2.gz VDENPOGAXOVZOA-UHFFFAOYSA-N 2 2 369.429 2.270 20 5 FEBDLP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCCn4cc[nH+]c4)CC3)nc2c1 ZINC000274864238 550560850 /nfs/dbraw/zinc/56/08/50/550560850.db2.gz VDENPOGAXOVZOA-UHFFFAOYSA-N 2 2 369.429 2.270 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028471 554366384 /nfs/dbraw/zinc/36/63/84/554366384.db2.gz JGJVTEGGZKFQJL-GOEBONIOSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028471 554366387 /nfs/dbraw/zinc/36/63/87/554366387.db2.gz JGJVTEGGZKFQJL-GOEBONIOSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028471 554366389 /nfs/dbraw/zinc/36/63/89/554366389.db2.gz JGJVTEGGZKFQJL-GOEBONIOSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028471 554366393 /nfs/dbraw/zinc/36/63/93/554366393.db2.gz JGJVTEGGZKFQJL-GOEBONIOSA-N 2 2 360.458 2.289 20 5 FEBDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830701 556149397 /nfs/dbraw/zinc/14/93/97/556149397.db2.gz IHWDFFPQHLRFEN-RDJZCZTQSA-N 2 2 363.458 2.283 20 5 FEBDLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830701 556149403 /nfs/dbraw/zinc/14/94/03/556149403.db2.gz IHWDFFPQHLRFEN-RDJZCZTQSA-N 2 2 363.458 2.283 20 5 FEBDLP Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105539 556220330 /nfs/dbraw/zinc/22/03/30/556220330.db2.gz TUCLQPDXZGLHSJ-CXAGYDPISA-N 2 2 352.398 2.288 20 5 FEBDLP Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368105539 556220331 /nfs/dbraw/zinc/22/03/31/556220331.db2.gz TUCLQPDXZGLHSJ-CXAGYDPISA-N 2 2 352.398 2.288 20 5 FEBDLP CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000369938054 556735455 /nfs/dbraw/zinc/73/54/55/556735455.db2.gz SISOFRXTGUCEQQ-MRXNPFEDSA-N 2 2 360.458 2.056 20 5 FEBDLP CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000369938054 556735457 /nfs/dbraw/zinc/73/54/57/556735457.db2.gz SISOFRXTGUCEQQ-MRXNPFEDSA-N 2 2 360.458 2.056 20 5 FEBDLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371334602 557150733 /nfs/dbraw/zinc/15/07/33/557150733.db2.gz HAYGBLFNUHERLE-PBHICJAKSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371334602 557150737 /nfs/dbraw/zinc/15/07/37/557150737.db2.gz HAYGBLFNUHERLE-PBHICJAKSA-N 2 2 350.438 2.192 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373757803 557752785 /nfs/dbraw/zinc/75/27/85/557752785.db2.gz BJJHLAMYCFBABN-HNNXBMFYSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373757803 557752788 /nfs/dbraw/zinc/75/27/88/557752788.db2.gz BJJHLAMYCFBABN-HNNXBMFYSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373757803 557752789 /nfs/dbraw/zinc/75/27/89/557752789.db2.gz BJJHLAMYCFBABN-HNNXBMFYSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373757803 557752793 /nfs/dbraw/zinc/75/27/93/557752793.db2.gz BJJHLAMYCFBABN-HNNXBMFYSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373762824 557753741 /nfs/dbraw/zinc/75/37/41/557753741.db2.gz YKQDRCHGHLRNQO-YJBOKZPZSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373762824 557753742 /nfs/dbraw/zinc/75/37/42/557753742.db2.gz YKQDRCHGHLRNQO-YJBOKZPZSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1cc(C[N@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414779466 559186985 /nfs/dbraw/zinc/18/69/85/559186985.db2.gz RGWMCBJBMJVVME-UHFFFAOYSA-N 2 2 363.336 2.466 20 5 FEBDLP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414779466 559186987 /nfs/dbraw/zinc/18/69/87/559186987.db2.gz RGWMCBJBMJVVME-UHFFFAOYSA-N 2 2 363.336 2.466 20 5 FEBDLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000419286858 559435230 /nfs/dbraw/zinc/43/52/30/559435230.db2.gz GAGJDCJGNJZYKT-SFHVURJKSA-N 2 2 358.442 2.307 20 5 FEBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000424333735 559661507 /nfs/dbraw/zinc/66/15/07/559661507.db2.gz MSCUTQDUFCZBFA-DGCLKSJQSA-N 2 2 371.235 2.155 20 5 FEBDLP CC[NH+](CC)[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447801918 560169392 /nfs/dbraw/zinc/16/93/92/560169392.db2.gz FRYARPOKRCINQW-QGZVFWFLSA-N 2 2 362.474 2.348 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000447807447 560169608 /nfs/dbraw/zinc/16/96/08/560169608.db2.gz ROBVXLRIEMPJGV-IAGOWNOFSA-N 2 2 360.458 2.466 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000447807447 560169609 /nfs/dbraw/zinc/16/96/09/560169609.db2.gz ROBVXLRIEMPJGV-IAGOWNOFSA-N 2 2 360.458 2.466 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000447811543 560169810 /nfs/dbraw/zinc/16/98/10/560169810.db2.gz GDHTVMKHRQGSGX-HNNXBMFYSA-N 2 2 357.414 2.050 20 5 FEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000449110582 560216097 /nfs/dbraw/zinc/21/60/97/560216097.db2.gz DZVXJCUYNWPTFN-MAUKXSAKSA-N 2 2 362.474 2.058 20 5 FEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000449110582 560216098 /nfs/dbraw/zinc/21/60/98/560216098.db2.gz DZVXJCUYNWPTFN-MAUKXSAKSA-N 2 2 362.474 2.058 20 5 FEBDLP Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449934323 560245604 /nfs/dbraw/zinc/24/56/04/560245604.db2.gz JDCWQIVBTNPTCA-UHFFFAOYSA-N 2 2 368.397 2.496 20 5 FEBDLP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449992144 560247571 /nfs/dbraw/zinc/24/75/71/560247571.db2.gz WVGXXNJEHWHJOK-OAHLLOKOSA-N 2 2 357.414 2.337 20 5 FEBDLP COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000450369393 560260298 /nfs/dbraw/zinc/26/02/98/560260298.db2.gz OXAWZYNEZMGJNK-UHFFFAOYSA-N 2 2 373.457 2.011 20 5 FEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000453273285 560385074 /nfs/dbraw/zinc/38/50/74/560385074.db2.gz VOVSCFCLZKNKDG-ZBFHGGJFSA-N 2 2 351.447 2.491 20 5 FEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000453273285 560385075 /nfs/dbraw/zinc/38/50/75/560385075.db2.gz VOVSCFCLZKNKDG-ZBFHGGJFSA-N 2 2 351.447 2.491 20 5 FEBDLP COc1cc[nH+]c(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000104716938 543138121 /nfs/dbraw/zinc/13/81/21/543138121.db2.gz YTBJUFZBIUBIPC-UHFFFAOYSA-N 2 2 358.398 2.199 20 5 FEBDLP CN(C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123713653 543778551 /nfs/dbraw/zinc/77/85/51/543778551.db2.gz HNTNNEAEXSOQBV-OAHLLOKOSA-N 2 2 371.441 2.246 20 5 FEBDLP CN(C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123713653 543778555 /nfs/dbraw/zinc/77/85/55/543778555.db2.gz HNTNNEAEXSOQBV-OAHLLOKOSA-N 2 2 371.441 2.246 20 5 FEBDLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000153930974 544842059 /nfs/dbraw/zinc/84/20/59/544842059.db2.gz HGMSTBBNAUWJBS-KRWDZBQOSA-N 2 2 357.414 2.193 20 5 FEBDLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000153930974 544842062 /nfs/dbraw/zinc/84/20/62/544842062.db2.gz HGMSTBBNAUWJBS-KRWDZBQOSA-N 2 2 357.414 2.193 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000109793950 325677714 /nfs/dbraw/zinc/67/77/14/325677714.db2.gz GJHQZDXPTAJNNW-CYBMUJFWSA-N 2 2 373.413 2.464 20 5 FEBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000117340887 326058261 /nfs/dbraw/zinc/05/82/61/326058261.db2.gz XRGVAUQCODTNGJ-UHFFFAOYSA-N 2 2 371.397 2.426 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172586755 327209676 /nfs/dbraw/zinc/20/96/76/327209676.db2.gz OWLATOZJVAVLGK-HNNXBMFYSA-N 2 2 369.425 2.338 20 5 FEBDLP C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371457497 330243989 /nfs/dbraw/zinc/24/39/89/330243989.db2.gz IOOJZTBPQBWRDN-WHWKNOJMSA-N 2 2 372.469 2.235 20 5 FEBDLP C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371457497 330243990 /nfs/dbraw/zinc/24/39/90/330243990.db2.gz IOOJZTBPQBWRDN-WHWKNOJMSA-N 2 2 372.469 2.235 20 5 FEBDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000178931091 546875733 /nfs/dbraw/zinc/87/57/33/546875733.db2.gz RSSBJORQGUUILE-QGZVFWFLSA-N 2 2 350.438 2.336 20 5 FEBDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000178931091 546875736 /nfs/dbraw/zinc/87/57/36/546875736.db2.gz RSSBJORQGUUILE-QGZVFWFLSA-N 2 2 350.438 2.336 20 5 FEBDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000482894597 561262539 /nfs/dbraw/zinc/26/25/39/561262539.db2.gz CSPIHBJTSMXDKK-HNNXBMFYSA-N 2 2 362.474 2.497 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281341975 551086452 /nfs/dbraw/zinc/08/64/52/551086452.db2.gz MNZDNAGLIGYJLZ-CQSZACIVSA-N 2 2 364.446 2.348 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281341975 551086453 /nfs/dbraw/zinc/08/64/53/551086453.db2.gz MNZDNAGLIGYJLZ-CQSZACIVSA-N 2 2 364.446 2.348 20 5 FEBDLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365641865 555629551 /nfs/dbraw/zinc/62/95/51/555629551.db2.gz VUHRFRWSZPZJNC-AWEZNQCLSA-N 2 2 357.414 2.171 20 5 FEBDLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365641865 555629554 /nfs/dbraw/zinc/62/95/54/555629554.db2.gz VUHRFRWSZPZJNC-AWEZNQCLSA-N 2 2 357.414 2.171 20 5 FEBDLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000524450624 562228880 /nfs/dbraw/zinc/22/88/80/562228880.db2.gz UVFIJQLLZCSPOE-AWEZNQCLSA-N 2 2 357.414 2.241 20 5 FEBDLP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000524450624 562228881 /nfs/dbraw/zinc/22/88/81/562228881.db2.gz UVFIJQLLZCSPOE-AWEZNQCLSA-N 2 2 357.414 2.241 20 5 FEBDLP CC[NH+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000410853791 558817204 /nfs/dbraw/zinc/81/72/04/558817204.db2.gz KNPPOXSRNSXCCE-ZIAGYGMSSA-N 2 2 357.414 2.335 20 5 FEBDLP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414948774 559196575 /nfs/dbraw/zinc/19/65/75/559196575.db2.gz ZBGSQBCJORMJQV-JQWIXIFHSA-N 2 2 359.373 2.335 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420411948 559486487 /nfs/dbraw/zinc/48/64/87/559486487.db2.gz YVJBCSUJYJHYOU-BBRMVZONSA-N 2 2 362.430 2.006 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420411948 559486488 /nfs/dbraw/zinc/48/64/88/559486488.db2.gz YVJBCSUJYJHYOU-BBRMVZONSA-N 2 2 362.430 2.006 20 5 FEBDLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032486 559615888 /nfs/dbraw/zinc/61/58/88/559615888.db2.gz FLPONQWHERNHJD-GJZGRUSLSA-N 2 2 369.487 2.269 20 5 FEBDLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000430561296 559822760 /nfs/dbraw/zinc/82/27/60/559822760.db2.gz ZTRSGZIKURZIQW-UHFFFAOYSA-N 2 2 370.837 2.017 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568039 559823055 /nfs/dbraw/zinc/82/30/55/559823055.db2.gz BXBIOWHCLKJSNG-TZMCWYRMSA-N 2 2 352.435 2.236 20 5 FEBDLP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568039 559823056 /nfs/dbraw/zinc/82/30/56/559823056.db2.gz BXBIOWHCLKJSNG-TZMCWYRMSA-N 2 2 352.435 2.236 20 5 FEBDLP CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450927825 560278813 /nfs/dbraw/zinc/27/88/13/560278813.db2.gz DSBVRQSNMKXFKA-HNNXBMFYSA-N 2 2 357.414 2.383 20 5 FEBDLP CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450927825 560278814 /nfs/dbraw/zinc/27/88/14/560278814.db2.gz DSBVRQSNMKXFKA-HNNXBMFYSA-N 2 2 357.414 2.383 20 5 FEBDLP CC[NH+](CC)CC(=O)N1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170170 560975935 /nfs/dbraw/zinc/97/59/35/560975935.db2.gz POZJDUDZPHCHKL-GHRIWEEISA-N 2 2 374.485 2.484 20 5 FEBDLP COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000475563018 561100035 /nfs/dbraw/zinc/10/00/35/561100035.db2.gz BCXXUNJXZVVCBN-AWEZNQCLSA-N 2 2 374.397 2.249 20 5 FEBDLP COC(=O)COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000475563018 561100036 /nfs/dbraw/zinc/10/00/36/561100036.db2.gz BCXXUNJXZVVCBN-AWEZNQCLSA-N 2 2 374.397 2.249 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000732719846 673379519 /nfs/dbraw/zinc/37/95/19/673379519.db2.gz BUSIONRNGZYCAX-CQSZACIVSA-N 2 2 363.487 2.050 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000732719846 673379522 /nfs/dbraw/zinc/37/95/22/673379522.db2.gz BUSIONRNGZYCAX-CQSZACIVSA-N 2 2 363.487 2.050 20 5 FEBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843377333 681000576 /nfs/dbraw/zinc/00/05/76/681000576.db2.gz USHVHVAJUIPQCT-CQSZACIVSA-N 2 2 354.838 2.068 20 5 FEBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843377333 681000578 /nfs/dbraw/zinc/00/05/78/681000578.db2.gz USHVHVAJUIPQCT-CQSZACIVSA-N 2 2 354.838 2.068 20 5 FEBDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000774752541 681229397 /nfs/dbraw/zinc/22/93/97/681229397.db2.gz QPBXUZZCJQMUCM-UHFFFAOYSA-N 2 2 351.794 2.405 20 5 FEBDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000774752541 681229402 /nfs/dbraw/zinc/22/94/02/681229402.db2.gz QPBXUZZCJQMUCM-UHFFFAOYSA-N 2 2 351.794 2.405 20 5 FEBDLP CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000058275609 540837959 /nfs/dbraw/zinc/83/79/59/540837959.db2.gz XLRKYIZMCYUDOI-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000058275609 540837962 /nfs/dbraw/zinc/83/79/62/540837962.db2.gz XLRKYIZMCYUDOI-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP CC(C)[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000068780248 541627218 /nfs/dbraw/zinc/62/72/18/541627218.db2.gz YYLWHWMSVHSOOQ-UHFFFAOYSA-N 2 2 357.414 2.337 20 5 FEBDLP CC(C)[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000068780248 541627222 /nfs/dbraw/zinc/62/72/22/541627222.db2.gz YYLWHWMSVHSOOQ-UHFFFAOYSA-N 2 2 357.414 2.337 20 5 FEBDLP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000073987293 542023434 /nfs/dbraw/zinc/02/34/34/542023434.db2.gz ZZXQLCGDCPQZIZ-LSDHHAIUSA-N 2 2 355.398 2.089 20 5 FEBDLP C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000073987293 542023437 /nfs/dbraw/zinc/02/34/37/542023437.db2.gz ZZXQLCGDCPQZIZ-LSDHHAIUSA-N 2 2 355.398 2.089 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794347 543339400 /nfs/dbraw/zinc/33/94/00/543339400.db2.gz QPLAPXMQGBJKGT-UHFFFAOYSA-N 2 2 373.413 2.466 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124315460 543813264 /nfs/dbraw/zinc/81/32/64/543813264.db2.gz OMTZUVWARIJSHX-ZDUSSCGKSA-N 2 2 361.402 2.149 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124315460 543813265 /nfs/dbraw/zinc/81/32/65/543813265.db2.gz OMTZUVWARIJSHX-ZDUSSCGKSA-N 2 2 361.402 2.149 20 5 FEBDLP C[NH+](C)CCC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181569718 327736569 /nfs/dbraw/zinc/73/65/69/327736569.db2.gz HICJQMXUDYBWIE-UHFFFAOYSA-N 2 2 369.487 2.032 20 5 FEBDLP C[NH+]1CCC(CNC(=O)Cc2ccccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000172750432 327216933 /nfs/dbraw/zinc/21/69/33/327216933.db2.gz ZQYBLTYTLIUVCS-UHFFFAOYSA-N 2 2 374.485 2.204 20 5 FEBDLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267449743 329328384 /nfs/dbraw/zinc/32/83/84/329328384.db2.gz RCFJNMWEFBGJLF-AWEZNQCLSA-N 2 2 355.398 2.087 20 5 FEBDLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267449743 329328385 /nfs/dbraw/zinc/32/83/85/329328385.db2.gz RCFJNMWEFBGJLF-AWEZNQCLSA-N 2 2 355.398 2.087 20 5 FEBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367063904 330212899 /nfs/dbraw/zinc/21/28/99/330212899.db2.gz AMEAWPILKJAVJB-OAHLLOKOSA-N 2 2 371.441 2.169 20 5 FEBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367063904 330212900 /nfs/dbraw/zinc/21/29/00/330212900.db2.gz AMEAWPILKJAVJB-OAHLLOKOSA-N 2 2 371.441 2.169 20 5 FEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440973 548921248 /nfs/dbraw/zinc/92/12/48/548921248.db2.gz VCWNVIPCCCETAP-BBRMVZONSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440973 548921252 /nfs/dbraw/zinc/92/12/52/548921252.db2.gz VCWNVIPCCCETAP-BBRMVZONSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440973 548921254 /nfs/dbraw/zinc/92/12/54/548921254.db2.gz VCWNVIPCCCETAP-BBRMVZONSA-N 2 2 364.446 2.204 20 5 FEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440973 548921258 /nfs/dbraw/zinc/92/12/58/548921258.db2.gz VCWNVIPCCCETAP-BBRMVZONSA-N 2 2 364.446 2.204 20 5 FEBDLP CCOc1cc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000280299149 550978118 /nfs/dbraw/zinc/97/81/18/550978118.db2.gz VOCKOTQHQRWADA-UHFFFAOYSA-N 2 2 359.430 2.402 20 5 FEBDLP C[NH+]1CCN(C(=O)C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000289953695 552404942 /nfs/dbraw/zinc/40/49/42/552404942.db2.gz YBBSQCBGSGAJLF-GQCTYLIASA-N 2 2 372.469 2.094 20 5 FEBDLP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000332381718 554435530 /nfs/dbraw/zinc/43/55/30/554435530.db2.gz HEPIGTYIOOJQNC-KBXCAEBGSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000332381718 554435533 /nfs/dbraw/zinc/43/55/33/554435533.db2.gz HEPIGTYIOOJQNC-KBXCAEBGSA-N 2 2 350.438 2.192 20 5 FEBDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@H](C)C2)s1 ZINC000368950715 556456911 /nfs/dbraw/zinc/45/69/11/556456911.db2.gz NHIKERCZSAVXRM-IUODEOHRSA-N 2 2 364.475 2.056 20 5 FEBDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)[C@H](C)C2)s1 ZINC000368950715 556456915 /nfs/dbraw/zinc/45/69/15/556456915.db2.gz NHIKERCZSAVXRM-IUODEOHRSA-N 2 2 364.475 2.056 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374730620 557922313 /nfs/dbraw/zinc/92/23/13/557922313.db2.gz YSSREJVBAWGQLX-OAHLLOKOSA-N 2 2 360.458 2.203 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374730620 557922315 /nfs/dbraw/zinc/92/23/15/557922315.db2.gz YSSREJVBAWGQLX-OAHLLOKOSA-N 2 2 360.458 2.203 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000408171762 558653326 /nfs/dbraw/zinc/65/33/26/558653326.db2.gz NLZSFVBJNFBCHI-SJPCQFCGSA-N 2 2 359.474 2.354 20 5 FEBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000408171762 558653328 /nfs/dbraw/zinc/65/33/28/558653328.db2.gz NLZSFVBJNFBCHI-SJPCQFCGSA-N 2 2 359.474 2.354 20 5 FEBDLP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414881834 559192744 /nfs/dbraw/zinc/19/27/44/559192744.db2.gz AXOQMPRNWDGHFO-LLVKDONJSA-N 2 2 363.336 2.371 20 5 FEBDLP CC[C@H]([NH3+])C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000414986644 559199141 /nfs/dbraw/zinc/19/91/41/559199141.db2.gz XZNXCYPTFXGNMI-JTQLQIEISA-N 2 2 351.325 2.371 20 5 FEBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422011506 559560569 /nfs/dbraw/zinc/56/05/69/559560569.db2.gz UQHSCGZULJPFLD-UHFFFAOYSA-N 2 2 374.485 2.156 20 5 FEBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422011506 559560570 /nfs/dbraw/zinc/56/05/70/559560570.db2.gz UQHSCGZULJPFLD-UHFFFAOYSA-N 2 2 374.485 2.156 20 5 FEBDLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 ZINC000430584350 559823732 /nfs/dbraw/zinc/82/37/32/559823732.db2.gz PFHDHMVMWMXFJT-UHFFFAOYSA-N 2 2 364.446 2.254 20 5 FEBDLP Cc1cc(NCC[N@H+]2CCN(C)C(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000440666730 560015848 /nfs/dbraw/zinc/01/58/48/560015848.db2.gz DDMGZHOUWSPNNA-UHFFFAOYSA-N 2 2 357.458 2.311 20 5 FEBDLP Cc1cc(NCC[N@@H+]2CCN(C)C(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000440666730 560015849 /nfs/dbraw/zinc/01/58/49/560015849.db2.gz DDMGZHOUWSPNNA-UHFFFAOYSA-N 2 2 357.458 2.311 20 5 FEBDLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448726843 560196631 /nfs/dbraw/zinc/19/66/31/560196631.db2.gz VGXFBQYRPPQKHP-LSDHHAIUSA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448726843 560196632 /nfs/dbraw/zinc/19/66/32/560196632.db2.gz VGXFBQYRPPQKHP-LSDHHAIUSA-N 2 2 355.398 2.137 20 5 FEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000470173731 560976072 /nfs/dbraw/zinc/97/60/72/560976072.db2.gz NFEFGKZBVVJADP-NRMGUKERSA-N 2 2 372.469 2.237 20 5 FEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000470173731 560976073 /nfs/dbraw/zinc/97/60/73/560976073.db2.gz NFEFGKZBVVJADP-NRMGUKERSA-N 2 2 372.469 2.237 20 5 FEBDLP Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541189355 562605425 /nfs/dbraw/zinc/60/54/25/562605425.db2.gz KZCYBBZCSYLWQC-UHFFFAOYSA-N 2 2 352.398 2.497 20 5 FEBDLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717811 684139084 /nfs/dbraw/zinc/13/90/84/684139084.db2.gz PTVQRINVRSSAMR-BLLLJJGKSA-N 2 2 350.394 2.136 20 5 FEBDLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717811 684139085 /nfs/dbraw/zinc/13/90/85/684139085.db2.gz PTVQRINVRSSAMR-BLLLJJGKSA-N 2 2 350.394 2.136 20 5 FEBDLP Cc1sc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000050798879 540414435 /nfs/dbraw/zinc/41/44/35/540414435.db2.gz UODGXEGKACKDKI-UHFFFAOYSA-N 2 2 366.487 2.253 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000050802443 540415362 /nfs/dbraw/zinc/41/53/62/540415362.db2.gz NXOCNAXQIHOTLS-AATRIKPKSA-N 2 2 372.469 2.283 20 5 FEBDLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000080969894 542620259 /nfs/dbraw/zinc/62/02/59/542620259.db2.gz NEVPMDRLWKPZPL-AWEZNQCLSA-N 2 2 355.398 2.087 20 5 FEBDLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000080969894 542620263 /nfs/dbraw/zinc/62/02/63/542620263.db2.gz NEVPMDRLWKPZPL-AWEZNQCLSA-N 2 2 355.398 2.087 20 5 FEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000123786123 543782830 /nfs/dbraw/zinc/78/28/30/543782830.db2.gz OUZBMYKBIOBJFM-AWEZNQCLSA-N 2 2 357.414 2.222 20 5 FEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000123786123 543782832 /nfs/dbraw/zinc/78/28/32/543782832.db2.gz OUZBMYKBIOBJFM-AWEZNQCLSA-N 2 2 357.414 2.222 20 5 FEBDLP [NH3+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000155584436 326794753 /nfs/dbraw/zinc/79/47/53/326794753.db2.gz DEQKLCMEYIHPEC-HNNXBMFYSA-N 2 2 357.414 2.418 20 5 FEBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367063903 330212754 /nfs/dbraw/zinc/21/27/54/330212754.db2.gz AMEAWPILKJAVJB-HNNXBMFYSA-N 2 2 371.441 2.169 20 5 FEBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367063903 330212755 /nfs/dbraw/zinc/21/27/55/330212755.db2.gz AMEAWPILKJAVJB-HNNXBMFYSA-N 2 2 371.441 2.169 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c2c(c1)COCO2 ZINC000161322189 546119936 /nfs/dbraw/zinc/11/99/36/546119936.db2.gz ZZZYPMXSQXJFIX-UHFFFAOYSA-N 2 2 356.382 2.179 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000182744720 547545329 /nfs/dbraw/zinc/54/53/29/547545329.db2.gz AVQJQGJMGVIQQE-MRXNPFEDSA-N 2 2 360.458 2.204 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186495056 548143831 /nfs/dbraw/zinc/14/38/31/548143831.db2.gz LXKCVZJOVHMDKC-AWEZNQCLSA-N 2 2 355.398 2.137 20 5 FEBDLP O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194221572 548451176 /nfs/dbraw/zinc/45/11/76/548451176.db2.gz VTXKVPDICPCJFN-UHFFFAOYSA-N 2 2 369.425 2.385 20 5 FEBDLP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000268844989 550122688 /nfs/dbraw/zinc/12/26/88/550122688.db2.gz NPWJZQDFHDLEFU-QAPCUYQASA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000268844989 550122690 /nfs/dbraw/zinc/12/26/90/550122690.db2.gz NPWJZQDFHDLEFU-QAPCUYQASA-N 2 2 362.474 2.497 20 5 FEBDLP C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000509006075 561781108 /nfs/dbraw/zinc/78/11/08/561781108.db2.gz ILTRPJPSKMWBFY-ZDUSSCGKSA-N 2 2 368.428 2.473 20 5 FEBDLP C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000509006075 561781109 /nfs/dbraw/zinc/78/11/09/561781109.db2.gz ILTRPJPSKMWBFY-ZDUSSCGKSA-N 2 2 368.428 2.473 20 5 FEBDLP O=C1[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361366907 554918984 /nfs/dbraw/zinc/91/89/84/554918984.db2.gz UUTMFMRWADNCEP-CZUORRHYSA-N 2 2 355.398 2.303 20 5 FEBDLP O=C1[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361366907 554918986 /nfs/dbraw/zinc/91/89/86/554918986.db2.gz UUTMFMRWADNCEP-CZUORRHYSA-N 2 2 355.398 2.303 20 5 FEBDLP Cc1cccc(NC2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000363232757 555059790 /nfs/dbraw/zinc/05/97/90/555059790.db2.gz XHGABRJQAHBPFD-UHFFFAOYSA-N 2 2 369.425 2.474 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274701 556560132 /nfs/dbraw/zinc/56/01/32/556560132.db2.gz RJUCBKMPDJSCMV-CYBMUJFWSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274701 556560134 /nfs/dbraw/zinc/56/01/34/556560134.db2.gz RJUCBKMPDJSCMV-CYBMUJFWSA-N 2 2 366.849 2.147 20 5 FEBDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721391 556677878 /nfs/dbraw/zinc/67/78/78/556677878.db2.gz DQPXCONIIGYFBU-KBMXLJTQSA-N 2 2 373.457 2.450 20 5 FEBDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721391 556677880 /nfs/dbraw/zinc/67/78/80/556677880.db2.gz DQPXCONIIGYFBU-KBMXLJTQSA-N 2 2 373.457 2.450 20 5 FEBDLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000375741205 558075170 /nfs/dbraw/zinc/07/51/70/558075170.db2.gz CVTPHGXJRKZZPD-ALOPSCKCSA-N 2 2 360.458 2.076 20 5 FEBDLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000375741205 558075171 /nfs/dbraw/zinc/07/51/71/558075171.db2.gz CVTPHGXJRKZZPD-ALOPSCKCSA-N 2 2 360.458 2.076 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378369643 558541864 /nfs/dbraw/zinc/54/18/64/558541864.db2.gz YWKGERUABXYNNR-HNNXBMFYSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378369643 558541867 /nfs/dbraw/zinc/54/18/67/558541867.db2.gz YWKGERUABXYNNR-HNNXBMFYSA-N 2 2 360.458 2.144 20 5 FEBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000435378336 559921750 /nfs/dbraw/zinc/92/17/50/559921750.db2.gz DBEHKXWBTUJABV-NSHDSACASA-N 2 2 359.373 2.289 20 5 FEBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000435378336 559921751 /nfs/dbraw/zinc/92/17/51/559921751.db2.gz DBEHKXWBTUJABV-NSHDSACASA-N 2 2 359.373 2.289 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380624 559921858 /nfs/dbraw/zinc/92/18/58/559921858.db2.gz SAJGVYOASYYPTR-GHMZBOCLSA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380624 559921859 /nfs/dbraw/zinc/92/18/59/559921859.db2.gz SAJGVYOASYYPTR-GHMZBOCLSA-N 2 2 359.373 2.416 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435384645 559922054 /nfs/dbraw/zinc/92/20/54/559922054.db2.gz NHBHKXKLIBJRDT-SNVBAGLBSA-N 2 2 363.336 2.325 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435384645 559922055 /nfs/dbraw/zinc/92/20/55/559922055.db2.gz NHBHKXKLIBJRDT-SNVBAGLBSA-N 2 2 363.336 2.325 20 5 FEBDLP C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442772306 560056772 /nfs/dbraw/zinc/05/67/72/560056772.db2.gz VFTAGEFRKNPNBI-FUNVUKJBSA-N 2 2 352.822 2.402 20 5 FEBDLP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442772306 560056773 /nfs/dbraw/zinc/05/67/73/560056773.db2.gz VFTAGEFRKNPNBI-FUNVUKJBSA-N 2 2 352.822 2.402 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000447807445 560169619 /nfs/dbraw/zinc/16/96/19/560169619.db2.gz ROBVXLRIEMPJGV-DLBZAZTESA-N 2 2 360.458 2.466 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000447807445 560169620 /nfs/dbraw/zinc/16/96/20/560169620.db2.gz ROBVXLRIEMPJGV-DLBZAZTESA-N 2 2 360.458 2.466 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[NH+](C2CCC2)CC1 ZINC000448981929 560210216 /nfs/dbraw/zinc/21/02/16/560210216.db2.gz IOPDDNGVERWJDG-UHFFFAOYSA-N 2 2 355.398 2.091 20 5 FEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000449323331 560225272 /nfs/dbraw/zinc/22/52/72/560225272.db2.gz UKHDPLUFKPCJIF-CCNLRDMRSA-N 2 2 374.485 2.199 20 5 FEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000449323331 560225275 /nfs/dbraw/zinc/22/52/75/560225275.db2.gz UKHDPLUFKPCJIF-CCNLRDMRSA-N 2 2 374.485 2.199 20 5 FEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000470173730 560975943 /nfs/dbraw/zinc/97/59/43/560975943.db2.gz NFEFGKZBVVJADP-AGWAZZAUSA-N 2 2 372.469 2.237 20 5 FEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000470173730 560975944 /nfs/dbraw/zinc/97/59/44/560975944.db2.gz NFEFGKZBVVJADP-AGWAZZAUSA-N 2 2 372.469 2.237 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000531340874 562442568 /nfs/dbraw/zinc/44/25/68/562442568.db2.gz ZLYLPIFJOUHDQH-QGZVFWFLSA-N 2 2 350.438 2.334 20 5 FEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000531340874 562442569 /nfs/dbraw/zinc/44/25/69/562442569.db2.gz ZLYLPIFJOUHDQH-QGZVFWFLSA-N 2 2 350.438 2.334 20 5 FEBDLP CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611374246 676034581 /nfs/dbraw/zinc/03/45/81/676034581.db2.gz HRUFNRIBQVTHIZ-KRWDZBQOSA-N 2 2 350.438 2.334 20 5 FEBDLP CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611374246 676034584 /nfs/dbraw/zinc/03/45/84/676034584.db2.gz HRUFNRIBQVTHIZ-KRWDZBQOSA-N 2 2 350.438 2.334 20 5 FEBDLP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602967718 673914936 /nfs/dbraw/zinc/91/49/36/673914936.db2.gz PHUVCTGPIGHIAV-MRXNPFEDSA-N 2 2 351.447 2.141 20 5 FEBDLP Cc1c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000050802423 540415574 /nfs/dbraw/zinc/41/55/74/540415574.db2.gz DRCRSMSAOCWXEQ-UHFFFAOYSA-N 2 2 360.458 2.192 20 5 FEBDLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111243466 543389258 /nfs/dbraw/zinc/38/92/58/543389258.db2.gz VAGUUDUNBSDJBN-UHFFFAOYSA-N 2 2 355.398 2.018 20 5 FEBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000111301439 543394505 /nfs/dbraw/zinc/39/45/05/543394505.db2.gz YIUQKDPKYUPZDF-SFHVURJKSA-N 2 2 363.458 2.331 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000172237938 327188958 /nfs/dbraw/zinc/18/89/58/327188958.db2.gz DFHYBUMFEPIALA-MRXNPFEDSA-N 2 2 352.866 2.460 20 5 FEBDLP C[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000172755167 327217177 /nfs/dbraw/zinc/21/71/77/327217177.db2.gz FDFKMXHWTCWCFT-UHFFFAOYSA-N 2 2 360.458 2.275 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000180942066 547216208 /nfs/dbraw/zinc/21/62/08/547216208.db2.gz IMLFVAHUGVGKRO-UHFFFAOYSA-N 2 2 361.446 2.194 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000180942066 547216212 /nfs/dbraw/zinc/21/62/12/547216212.db2.gz IMLFVAHUGVGKRO-UHFFFAOYSA-N 2 2 361.446 2.194 20 5 FEBDLP CN(CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC[NH+](C)CC1 ZINC000180942066 547216217 /nfs/dbraw/zinc/21/62/17/547216217.db2.gz IMLFVAHUGVGKRO-UHFFFAOYSA-N 2 2 361.446 2.194 20 5 FEBDLP CN(CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC[NH+](C)CC1 ZINC000180942066 547216222 /nfs/dbraw/zinc/21/62/22/547216222.db2.gz IMLFVAHUGVGKRO-UHFFFAOYSA-N 2 2 361.446 2.194 20 5 FEBDLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184567644 547847144 /nfs/dbraw/zinc/84/71/44/547847144.db2.gz HVOJZKAGMKFTOM-LJQANCHMSA-N 2 2 370.453 2.446 20 5 FEBDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184567644 547847149 /nfs/dbraw/zinc/84/71/49/547847149.db2.gz HVOJZKAGMKFTOM-LJQANCHMSA-N 2 2 370.453 2.446 20 5 FEBDLP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781064 561452708 /nfs/dbraw/zinc/45/27/08/561452708.db2.gz ACFOLVFGCAZDTC-DOTOQJQBSA-N 2 2 362.474 2.061 20 5 FEBDLP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781064 561452709 /nfs/dbraw/zinc/45/27/09/561452709.db2.gz ACFOLVFGCAZDTC-DOTOQJQBSA-N 2 2 362.474 2.061 20 5 FEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272564575 550458191 /nfs/dbraw/zinc/45/81/91/550458191.db2.gz URBQNUCPIUFCOS-UHFFFAOYSA-N 2 2 350.463 2.063 20 5 FEBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272564575 550458192 /nfs/dbraw/zinc/45/81/92/550458192.db2.gz URBQNUCPIUFCOS-UHFFFAOYSA-N 2 2 350.463 2.063 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028470 554366228 /nfs/dbraw/zinc/36/62/28/554366228.db2.gz JGJVTEGGZKFQJL-GDBMZVCRSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028470 554366230 /nfs/dbraw/zinc/36/62/30/554366230.db2.gz JGJVTEGGZKFQJL-GDBMZVCRSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028470 554366231 /nfs/dbraw/zinc/36/62/31/554366231.db2.gz JGJVTEGGZKFQJL-GDBMZVCRSA-N 2 2 360.458 2.289 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028470 554366233 /nfs/dbraw/zinc/36/62/33/554366233.db2.gz JGJVTEGGZKFQJL-GDBMZVCRSA-N 2 2 360.458 2.289 20 5 FEBDLP C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370147946 556794473 /nfs/dbraw/zinc/79/44/73/556794473.db2.gz HLTBPTDJCCXINX-RHSMWYFYSA-N 2 2 373.457 2.194 20 5 FEBDLP C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370147946 556794476 /nfs/dbraw/zinc/79/44/76/556794476.db2.gz HLTBPTDJCCXINX-RHSMWYFYSA-N 2 2 373.457 2.194 20 5 FEBDLP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374906012 557948907 /nfs/dbraw/zinc/94/89/07/557948907.db2.gz BLPWOBDBDUYRHX-RHSMWYFYSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374906012 557948909 /nfs/dbraw/zinc/94/89/09/557948909.db2.gz BLPWOBDBDUYRHX-RHSMWYFYSA-N 2 2 350.438 2.192 20 5 FEBDLP CC(=O)c1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000376450856 558174967 /nfs/dbraw/zinc/17/49/67/558174967.db2.gz SGWCMZBDDGJRSG-CQSZACIVSA-N 2 2 360.458 2.402 20 5 FEBDLP CC(=O)c1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000376450856 558174969 /nfs/dbraw/zinc/17/49/69/558174969.db2.gz SGWCMZBDDGJRSG-CQSZACIVSA-N 2 2 360.458 2.402 20 5 FEBDLP CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376817492 558225398 /nfs/dbraw/zinc/22/53/98/558225398.db2.gz CIBQJZVWFHBEFY-CQSZACIVSA-N 2 2 353.854 2.248 20 5 FEBDLP CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376817492 558225399 /nfs/dbraw/zinc/22/53/99/558225399.db2.gz CIBQJZVWFHBEFY-CQSZACIVSA-N 2 2 353.854 2.248 20 5 FEBDLP Cc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000377258633 558300109 /nfs/dbraw/zinc/30/01/09/558300109.db2.gz SUQVOYGUOKPHEN-OAHLLOKOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000377258633 558300112 /nfs/dbraw/zinc/30/01/12/558300112.db2.gz SUQVOYGUOKPHEN-OAHLLOKOSA-N 2 2 360.458 2.144 20 5 FEBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522037501 562189976 /nfs/dbraw/zinc/18/99/76/562189976.db2.gz LPADJTIGIPDMJQ-HNNXBMFYSA-N 2 2 355.398 2.089 20 5 FEBDLP CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000522037501 562189977 /nfs/dbraw/zinc/18/99/77/562189977.db2.gz LPADJTIGIPDMJQ-HNNXBMFYSA-N 2 2 355.398 2.089 20 5 FEBDLP C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378365115 558539871 /nfs/dbraw/zinc/53/98/71/558539871.db2.gz IBCOJIGFAWJPDG-MRXNPFEDSA-N 2 2 374.485 2.154 20 5 FEBDLP C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378365115 558539874 /nfs/dbraw/zinc/53/98/74/558539874.db2.gz IBCOJIGFAWJPDG-MRXNPFEDSA-N 2 2 374.485 2.154 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(C(F)(F)F)c1 ZINC000423081618 559618082 /nfs/dbraw/zinc/61/80/82/559618082.db2.gz DJMZHQFRFMHSML-LSDHHAIUSA-N 2 2 359.348 2.470 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430591776 559823972 /nfs/dbraw/zinc/82/39/72/559823972.db2.gz FWWGXYBOEKUJCJ-JSGCOSHPSA-N 2 2 352.435 2.236 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430591776 559823973 /nfs/dbraw/zinc/82/39/73/559823973.db2.gz FWWGXYBOEKUJCJ-JSGCOSHPSA-N 2 2 352.435 2.236 20 5 FEBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382339 559921792 /nfs/dbraw/zinc/92/17/92/559921792.db2.gz YXYDQYFXMMGILA-DRZSPHRISA-N 2 2 371.384 2.416 20 5 FEBDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382339 559921793 /nfs/dbraw/zinc/92/17/93/559921793.db2.gz YXYDQYFXMMGILA-DRZSPHRISA-N 2 2 371.384 2.416 20 5 FEBDLP CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448826237 560201044 /nfs/dbraw/zinc/20/10/44/560201044.db2.gz ZCDKDUHKKQLZDR-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448826237 560201045 /nfs/dbraw/zinc/20/10/45/560201045.db2.gz ZCDKDUHKKQLZDR-AWEZNQCLSA-N 2 2 357.414 2.242 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000448831330 560201377 /nfs/dbraw/zinc/20/13/77/560201377.db2.gz QJLGJPRTYANJBU-INIZCTEOSA-N 2 2 369.425 2.481 20 5 FEBDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448958667 560208948 /nfs/dbraw/zinc/20/89/48/560208948.db2.gz ZPFDMFPLEWRHEO-OAHLLOKOSA-N 2 2 357.414 2.385 20 5 FEBDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448958667 560208949 /nfs/dbraw/zinc/20/89/49/560208949.db2.gz ZPFDMFPLEWRHEO-OAHLLOKOSA-N 2 2 357.414 2.385 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531714935 562454595 /nfs/dbraw/zinc/45/45/95/562454595.db2.gz AHAOBOIVOAXJSW-HNNXBMFYSA-N 2 2 362.474 2.497 20 5 FEBDLP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609489415 568490739 /nfs/dbraw/zinc/49/07/39/568490739.db2.gz KGGZEQKIQKUJPO-HNNXBMFYSA-N 2 2 357.414 2.385 20 5 FEBDLP CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609489415 568490740 /nfs/dbraw/zinc/49/07/40/568490740.db2.gz KGGZEQKIQKUJPO-HNNXBMFYSA-N 2 2 357.414 2.385 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000843369064 681000275 /nfs/dbraw/zinc/00/02/75/681000275.db2.gz VQHOKVGYLFBGAB-SCDSUCTJSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000843369064 681000276 /nfs/dbraw/zinc/00/02/76/681000276.db2.gz VQHOKVGYLFBGAB-SCDSUCTJSA-N 2 2 352.822 2.246 20 5 FEBDLP COc1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000872151247 684922931 /nfs/dbraw/zinc/92/29/31/684922931.db2.gz JZDGGXNKYFNGTA-ZYHUDNBSSA-N 2 2 363.336 2.051 20 5 FEBDLP COc1ccc(OCC[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000872151247 684922932 /nfs/dbraw/zinc/92/29/32/684922932.db2.gz JZDGGXNKYFNGTA-ZYHUDNBSSA-N 2 2 363.336 2.051 20 5 FEBDLP CC(C)Oc1nc(NCC[NH+]2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000519559501 539492238 /nfs/dbraw/zinc/49/22/38/539492238.db2.gz XTGGYBIAMQZBRT-UHFFFAOYSA-N 2 2 351.451 2.215 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000076329620 542261593 /nfs/dbraw/zinc/26/15/93/542261593.db2.gz MSHQCCATYRTXNN-UHFFFAOYSA-N 2 2 363.462 2.393 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000076329620 542261596 /nfs/dbraw/zinc/26/15/96/542261596.db2.gz MSHQCCATYRTXNN-UHFFFAOYSA-N 2 2 363.462 2.393 20 5 FEBDLP O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000135240742 544338788 /nfs/dbraw/zinc/33/87/88/544338788.db2.gz ZZGDSIMBZWPVBL-UHFFFAOYSA-N 2 2 372.469 2.302 20 5 FEBDLP O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000135240742 544338790 /nfs/dbraw/zinc/33/87/90/544338790.db2.gz ZZGDSIMBZWPVBL-UHFFFAOYSA-N 2 2 372.469 2.302 20 5 FEBDLP CCOc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000153153779 544739898 /nfs/dbraw/zinc/73/98/98/544739898.db2.gz NRKJWDGYRMOLSV-AWEZNQCLSA-N 2 2 351.447 2.491 20 5 FEBDLP O=C1[C@H]([N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000154109722 544864883 /nfs/dbraw/zinc/86/48/83/544864883.db2.gz SFKKLLADTGCDIY-ZWKOTPCHSA-N 2 2 368.393 2.248 20 5 FEBDLP O=C1[C@H]([N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000154109722 544864886 /nfs/dbraw/zinc/86/48/86/544864886.db2.gz SFKKLLADTGCDIY-ZWKOTPCHSA-N 2 2 368.393 2.248 20 5 FEBDLP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000174117432 327307251 /nfs/dbraw/zinc/30/72/51/327307251.db2.gz IFOOFSWETZPWAZ-HNNXBMFYSA-N 2 2 357.414 2.337 20 5 FEBDLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000177447549 546620247 /nfs/dbraw/zinc/62/02/47/546620247.db2.gz KYULAVRWZZRKMH-LSDHHAIUSA-N 2 2 357.414 2.383 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000194473709 548488089 /nfs/dbraw/zinc/48/80/89/548488089.db2.gz FKKFUYJEAIOHKN-CYBMUJFWSA-N 2 2 364.402 2.094 20 5 FEBDLP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000489098631 561403298 /nfs/dbraw/zinc/40/32/98/561403298.db2.gz OIRQDEMFIMQROK-KRWDZBQOSA-N 2 2 362.474 2.205 20 5 FEBDLP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000489098631 561403299 /nfs/dbraw/zinc/40/32/99/561403299.db2.gz OIRQDEMFIMQROK-KRWDZBQOSA-N 2 2 362.474 2.205 20 5 FEBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000273077529 550484000 /nfs/dbraw/zinc/48/40/00/550484000.db2.gz WUQKIVGFTWLSBY-QGZVFWFLSA-N 2 2 363.458 2.285 20 5 FEBDLP CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000360973663 554898265 /nfs/dbraw/zinc/89/82/65/554898265.db2.gz VMOGFADGAOVXNT-CYBMUJFWSA-N 2 2 353.854 2.248 20 5 FEBDLP CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000360973663 554898268 /nfs/dbraw/zinc/89/82/68/554898268.db2.gz VMOGFADGAOVXNT-CYBMUJFWSA-N 2 2 353.854 2.248 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368692215 556386471 /nfs/dbraw/zinc/38/64/71/556386471.db2.gz MFQRWYVJYHXCDA-DLBZAZTESA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368692215 556386472 /nfs/dbraw/zinc/38/64/72/556386472.db2.gz MFQRWYVJYHXCDA-DLBZAZTESA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368692215 556386473 /nfs/dbraw/zinc/38/64/73/556386473.db2.gz MFQRWYVJYHXCDA-DLBZAZTESA-N 2 2 355.442 2.282 20 5 FEBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368692215 556386474 /nfs/dbraw/zinc/38/64/74/556386474.db2.gz MFQRWYVJYHXCDA-DLBZAZTESA-N 2 2 355.442 2.282 20 5 FEBDLP CC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607767 557519524 /nfs/dbraw/zinc/51/95/24/557519524.db2.gz VZINXZOJSFMUNX-KRWDZBQOSA-N 2 2 360.458 2.402 20 5 FEBDLP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000375504487 558039502 /nfs/dbraw/zinc/03/95/02/558039502.db2.gz GNJGELUFBHMALB-HDMKZQKVSA-N 2 2 357.414 2.389 20 5 FEBDLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414967318 559197510 /nfs/dbraw/zinc/19/75/10/559197510.db2.gz BAWADCPBZLRSIY-GOSISDBHSA-N 2 2 369.469 2.356 20 5 FEBDLP [NH3+][C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000423039091 559616013 /nfs/dbraw/zinc/61/60/13/559616013.db2.gz PRSLKYAGAGKZMF-SJORKVTESA-N 2 2 361.423 2.103 20 5 FEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)n1 ZINC000423224269 559623231 /nfs/dbraw/zinc/62/32/31/559623231.db2.gz BOZZEBYTYRTOBJ-HZPDHXFCSA-N 2 2 371.445 2.192 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000448887531 560204980 /nfs/dbraw/zinc/20/49/80/560204980.db2.gz SNCXDTZSNAORMQ-UHFFFAOYSA-N 2 2 369.425 2.481 20 5 FEBDLP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC000450146941 560252172 /nfs/dbraw/zinc/25/21/72/560252172.db2.gz MJONSJUMEMHXSJ-CVEARBPZSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC000450146941 560252173 /nfs/dbraw/zinc/25/21/73/560252173.db2.gz MJONSJUMEMHXSJ-CVEARBPZSA-N 2 2 369.425 2.337 20 5 FEBDLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456350747 560516703 /nfs/dbraw/zinc/51/67/03/560516703.db2.gz LZWZGXCCMFNOQV-OAHLLOKOSA-N 2 2 357.414 2.337 20 5 FEBDLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456350747 560516704 /nfs/dbraw/zinc/51/67/04/560516704.db2.gz LZWZGXCCMFNOQV-OAHLLOKOSA-N 2 2 357.414 2.337 20 5 FEBDLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000532921138 562492650 /nfs/dbraw/zinc/49/26/50/562492650.db2.gz UYPAZJSLHJQAAF-UHFFFAOYSA-N 2 2 354.838 2.460 20 5 FEBDLP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000541228011 562606531 /nfs/dbraw/zinc/60/65/31/562606531.db2.gz CRHPKOWRJSNLGJ-XJKSGUPXSA-N 2 2 357.414 2.170 20 5 FEBDLP COc1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000872151246 684922916 /nfs/dbraw/zinc/92/29/16/684922916.db2.gz JZDGGXNKYFNGTA-PWSUYJOCSA-N 2 2 363.336 2.051 20 5 FEBDLP COc1ccc(OCC[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000872151246 684922917 /nfs/dbraw/zinc/92/29/17/684922917.db2.gz JZDGGXNKYFNGTA-PWSUYJOCSA-N 2 2 363.336 2.051 20 5 FEBDLP CC[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000067233448 541434914 /nfs/dbraw/zinc/43/49/14/541434914.db2.gz YTWFPYSXUMQRDZ-UHFFFAOYSA-N 2 2 357.414 2.242 20 5 FEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000112921382 543468750 /nfs/dbraw/zinc/46/87/50/543468750.db2.gz FPGZBNWYTRHWTM-UHFFFAOYSA-N 2 2 373.457 2.174 20 5 FEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000112921382 543468753 /nfs/dbraw/zinc/46/87/53/543468753.db2.gz FPGZBNWYTRHWTM-UHFFFAOYSA-N 2 2 373.457 2.174 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154494488 544912376 /nfs/dbraw/zinc/91/23/76/544912376.db2.gz NXBNMWPLAFVKDN-BYICEURKSA-N 2 2 372.469 2.286 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154494488 544912378 /nfs/dbraw/zinc/91/23/78/544912378.db2.gz NXBNMWPLAFVKDN-BYICEURKSA-N 2 2 372.469 2.286 20 5 FEBDLP C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000172752613 327216918 /nfs/dbraw/zinc/21/69/18/327216918.db2.gz YPXXPPJRBQGTEB-UHFFFAOYSA-N 2 2 360.458 2.275 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155320369 545510929 /nfs/dbraw/zinc/51/09/29/545510929.db2.gz CRQJVCPWESKOQQ-CRAIPNDOSA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155320369 545510932 /nfs/dbraw/zinc/51/09/32/545510932.db2.gz CRQJVCPWESKOQQ-CRAIPNDOSA-N 2 2 362.474 2.497 20 5 FEBDLP C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490630239 561436352 /nfs/dbraw/zinc/43/63/52/561436352.db2.gz JWCRXQOYUFMXGM-YOEHRIQHSA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490630239 561436353 /nfs/dbraw/zinc/43/63/53/561436353.db2.gz JWCRXQOYUFMXGM-YOEHRIQHSA-N 2 2 350.438 2.192 20 5 FEBDLP CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000289707759 552365459 /nfs/dbraw/zinc/36/54/59/552365459.db2.gz HOKUDPUWSJQHTI-UHFFFAOYSA-N 2 2 363.462 2.305 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000361153629 554906922 /nfs/dbraw/zinc/90/69/22/554906922.db2.gz JJAGIKPQWHVNQE-AWEZNQCLSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000361153629 554906924 /nfs/dbraw/zinc/90/69/24/554906924.db2.gz JJAGIKPQWHVNQE-AWEZNQCLSA-N 2 2 366.849 2.147 20 5 FEBDLP CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362253542 554958396 /nfs/dbraw/zinc/95/83/96/554958396.db2.gz FGVWAXBDMDTYNG-KRWDZBQOSA-N 2 2 350.438 2.334 20 5 FEBDLP CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362253542 554958399 /nfs/dbraw/zinc/95/83/99/554958399.db2.gz FGVWAXBDMDTYNG-KRWDZBQOSA-N 2 2 350.438 2.334 20 5 FEBDLP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362253542 554958400 /nfs/dbraw/zinc/95/84/00/554958400.db2.gz FGVWAXBDMDTYNG-KRWDZBQOSA-N 2 2 350.438 2.334 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207922 555270294 /nfs/dbraw/zinc/27/02/94/555270294.db2.gz PXEDFEOUUGJMOH-CYBMUJFWSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207922 555270296 /nfs/dbraw/zinc/27/02/96/555270296.db2.gz PXEDFEOUUGJMOH-CYBMUJFWSA-N 2 2 366.849 2.147 20 5 FEBDLP O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000370025644 556760472 /nfs/dbraw/zinc/76/04/72/556760472.db2.gz JKMKBNNTYGQFSD-UHFFFAOYSA-N 2 2 364.409 2.498 20 5 FEBDLP C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373528459 557711220 /nfs/dbraw/zinc/71/12/20/557711220.db2.gz IFAOFSAJJVJCCY-CQSZACIVSA-N 2 2 350.438 2.334 20 5 FEBDLP C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373528459 557711221 /nfs/dbraw/zinc/71/12/21/557711221.db2.gz IFAOFSAJJVJCCY-CQSZACIVSA-N 2 2 350.438 2.334 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373785311 557758685 /nfs/dbraw/zinc/75/86/85/557758685.db2.gz COKGTHHSNIVUNO-GOSISDBHSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373785311 557758687 /nfs/dbraw/zinc/75/86/87/557758687.db2.gz COKGTHHSNIVUNO-GOSISDBHSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373785311 557758688 /nfs/dbraw/zinc/75/86/88/557758688.db2.gz COKGTHHSNIVUNO-GOSISDBHSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373785311 557758690 /nfs/dbraw/zinc/75/86/90/557758690.db2.gz COKGTHHSNIVUNO-GOSISDBHSA-N 2 2 362.474 2.204 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2C[C@H](C3CC3)[N@H+](Cc3ccccc3)C2)c1 ZINC000377411496 558335467 /nfs/dbraw/zinc/33/54/67/558335467.db2.gz LNFKTIQLXISASP-PKOBYXMFSA-N 2 2 355.442 2.434 20 5 FEBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@H]2C[C@H](C3CC3)[N@@H+](Cc3ccccc3)C2)c1 ZINC000377411496 558335469 /nfs/dbraw/zinc/33/54/69/558335469.db2.gz LNFKTIQLXISASP-PKOBYXMFSA-N 2 2 355.442 2.434 20 5 FEBDLP CN(C)C(=O)CC[NH+]1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413145336 559082783 /nfs/dbraw/zinc/08/27/83/559082783.db2.gz ZSAROJPLVAWMJI-UHFFFAOYSA-N 2 2 371.441 2.498 20 5 FEBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000422007162 559560131 /nfs/dbraw/zinc/56/01/31/559560131.db2.gz MZIHVIZUVNOUSK-UHFFFAOYSA-N 2 2 366.487 2.289 20 5 FEBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000422007162 559560132 /nfs/dbraw/zinc/56/01/32/559560132.db2.gz MZIHVIZUVNOUSK-UHFFFAOYSA-N 2 2 366.487 2.289 20 5 FEBDLP Cn1cc[nH+]c1[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489414 559630123 /nfs/dbraw/zinc/63/01/23/559630123.db2.gz WLQJUHZBYJXOGE-UONOGXRCSA-N 2 2 351.357 2.005 20 5 FEBDLP CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448907460 560206019 /nfs/dbraw/zinc/20/60/19/560206019.db2.gz CMIRJNJAIIKQON-UHFFFAOYSA-N 2 2 357.414 2.194 20 5 FEBDLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450022135 560248241 /nfs/dbraw/zinc/24/82/41/560248241.db2.gz KCRUDKMOJXOWLN-OAHLLOKOSA-N 2 2 357.414 2.337 20 5 FEBDLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450022135 560248242 /nfs/dbraw/zinc/24/82/42/560248242.db2.gz KCRUDKMOJXOWLN-OAHLLOKOSA-N 2 2 357.414 2.337 20 5 FEBDLP C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[N@@H+]1C1CC1 ZINC000450071312 560249897 /nfs/dbraw/zinc/24/98/97/560249897.db2.gz BBRQMQCOHBILMT-TZMCWYRMSA-N 2 2 355.398 2.136 20 5 FEBDLP C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[N@H+]1C1CC1 ZINC000450071312 560249898 /nfs/dbraw/zinc/24/98/98/560249898.db2.gz BBRQMQCOHBILMT-TZMCWYRMSA-N 2 2 355.398 2.136 20 5 FEBDLP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000450314876 560258061 /nfs/dbraw/zinc/25/80/61/560258061.db2.gz CJSVZBATSIUVPT-KBPBESRZSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000450314876 560258062 /nfs/dbraw/zinc/25/80/62/560258062.db2.gz CJSVZBATSIUVPT-KBPBESRZSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548016 560313793 /nfs/dbraw/zinc/31/37/93/560313793.db2.gz LYOSBYOHTZSULR-SJLPKXTDSA-N 2 2 374.485 2.327 20 5 FEBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548016 560313794 /nfs/dbraw/zinc/31/37/94/560313794.db2.gz LYOSBYOHTZSULR-SJLPKXTDSA-N 2 2 374.485 2.327 20 5 FEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000471208709 561000473 /nfs/dbraw/zinc/00/04/73/561000473.db2.gz VPQCHZSSAROQEP-AWEZNQCLSA-N 2 2 356.430 2.334 20 5 FEBDLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931434086 684282425 /nfs/dbraw/zinc/28/24/25/684282425.db2.gz LZUGCNWDNCGPMQ-NEPJUHHUSA-N 2 2 352.822 2.070 20 5 FEBDLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931434086 684282429 /nfs/dbraw/zinc/28/24/29/684282429.db2.gz LZUGCNWDNCGPMQ-NEPJUHHUSA-N 2 2 352.822 2.070 20 5 FEBDLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931434086 684282432 /nfs/dbraw/zinc/28/24/32/684282432.db2.gz LZUGCNWDNCGPMQ-NEPJUHHUSA-N 2 2 352.822 2.070 20 5 FEBDLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931434086 684282434 /nfs/dbraw/zinc/28/24/34/684282434.db2.gz LZUGCNWDNCGPMQ-NEPJUHHUSA-N 2 2 352.822 2.070 20 5 FEBDLP O=C(NCCCCn1cc[nH+]c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000108978032 543309425 /nfs/dbraw/zinc/30/94/25/543309425.db2.gz AOFZVJPKNVWMNZ-UHFFFAOYSA-N 2 2 354.370 2.187 20 5 FEBDLP C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000122869638 543728415 /nfs/dbraw/zinc/72/84/15/543728415.db2.gz RRCYKHQFGYOPAK-YOEHRIQHSA-N 2 2 357.414 2.337 20 5 FEBDLP C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000122869638 543728417 /nfs/dbraw/zinc/72/84/17/543728417.db2.gz RRCYKHQFGYOPAK-YOEHRIQHSA-N 2 2 357.414 2.337 20 5 FEBDLP CC(C)[NH2+]C1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117338970 326058327 /nfs/dbraw/zinc/05/83/27/326058327.db2.gz FRWLBDLKKNHMDK-UHFFFAOYSA-N 2 2 362.430 2.355 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000171064527 327115273 /nfs/dbraw/zinc/11/52/73/327115273.db2.gz GOWLMPMDTXKSOX-UHFFFAOYSA-N 2 2 366.381 2.454 20 5 FEBDLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172604015 327210701 /nfs/dbraw/zinc/21/07/01/327210701.db2.gz ASZBMNZFCDRGQW-ZFWWWQNUSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172604015 327210702 /nfs/dbraw/zinc/21/07/02/327210702.db2.gz ASZBMNZFCDRGQW-ZFWWWQNUSA-N 2 2 357.414 2.193 20 5 FEBDLP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173046844 327232236 /nfs/dbraw/zinc/23/22/36/327232236.db2.gz PCFONOWVXZAHQT-ZDUSSCGKSA-N 2 2 359.430 2.487 20 5 FEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772798 327350027 /nfs/dbraw/zinc/35/00/27/327350027.db2.gz ZTZABZHEAQMNDO-RHSMWYFYSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772798 327350028 /nfs/dbraw/zinc/35/00/28/327350028.db2.gz ZTZABZHEAQMNDO-RHSMWYFYSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772798 327350030 /nfs/dbraw/zinc/35/00/30/327350030.db2.gz ZTZABZHEAQMNDO-RHSMWYFYSA-N 2 2 360.458 2.146 20 5 FEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772798 327350032 /nfs/dbraw/zinc/35/00/32/327350032.db2.gz ZTZABZHEAQMNDO-RHSMWYFYSA-N 2 2 360.458 2.146 20 5 FEBDLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000261829264 328822734 /nfs/dbraw/zinc/82/27/34/328822734.db2.gz KSIOEFFDECSAJZ-GYABFAJESA-N 2 2 369.425 2.416 20 5 FEBDLP CCc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000266910590 329271902 /nfs/dbraw/zinc/27/19/02/329271902.db2.gz JEBMAUBGIQZSAN-UHFFFAOYSA-N 2 2 362.474 2.255 20 5 FEBDLP CCc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000266910590 329271903 /nfs/dbraw/zinc/27/19/03/329271903.db2.gz JEBMAUBGIQZSAN-UHFFFAOYSA-N 2 2 362.474 2.255 20 5 FEBDLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245602195 548956324 /nfs/dbraw/zinc/95/63/24/548956324.db2.gz MOETYOGWRVILBU-FHLIZLRMSA-N 2 2 369.425 2.480 20 5 FEBDLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245602195 548956329 /nfs/dbraw/zinc/95/63/29/548956329.db2.gz MOETYOGWRVILBU-FHLIZLRMSA-N 2 2 369.425 2.480 20 5 FEBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000273077525 550484098 /nfs/dbraw/zinc/48/40/98/550484098.db2.gz WUQKIVGFTWLSBY-KRWDZBQOSA-N 2 2 363.458 2.285 20 5 FEBDLP CN(C)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000500416200 561572267 /nfs/dbraw/zinc/57/22/67/561572267.db2.gz OPNSJXXVCYBKRP-UHFFFAOYSA-N 2 2 352.354 2.494 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000361581161 554925519 /nfs/dbraw/zinc/92/55/19/554925519.db2.gz HTEAACCBCOBVPE-MRXNPFEDSA-N 2 2 369.425 2.481 20 5 FEBDLP O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414025 555100022 /nfs/dbraw/zinc/10/00/22/555100022.db2.gz JGVNAQGTPCEILX-BPQIPLTHSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414025 555100024 /nfs/dbraw/zinc/10/00/24/555100024.db2.gz JGVNAQGTPCEILX-BPQIPLTHSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414025 555100025 /nfs/dbraw/zinc/10/00/25/555100025.db2.gz JGVNAQGTPCEILX-BPQIPLTHSA-N 2 2 359.426 2.377 20 5 FEBDLP O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414025 555100027 /nfs/dbraw/zinc/10/00/27/555100027.db2.gz JGVNAQGTPCEILX-BPQIPLTHSA-N 2 2 359.426 2.377 20 5 FEBDLP C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367454128 556054511 /nfs/dbraw/zinc/05/45/11/556054511.db2.gz LXRQPQKLNFPLBX-WAVCKPEOSA-N 2 2 372.469 2.235 20 5 FEBDLP C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367454128 556054515 /nfs/dbraw/zinc/05/45/15/556054515.db2.gz LXRQPQKLNFPLBX-WAVCKPEOSA-N 2 2 372.469 2.235 20 5 FEBDLP C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374914867 557950619 /nfs/dbraw/zinc/95/06/19/557950619.db2.gz OAPBZGVSURBYAZ-CQSZACIVSA-N 2 2 350.438 2.334 20 5 FEBDLP C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374914867 557950620 /nfs/dbraw/zinc/95/06/20/557950620.db2.gz OAPBZGVSURBYAZ-CQSZACIVSA-N 2 2 350.438 2.334 20 5 FEBDLP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415033081 559201747 /nfs/dbraw/zinc/20/17/47/559201747.db2.gz IJHCFRVUKFYRPX-IGOJGBNBSA-N 2 2 369.421 2.490 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430591778 559823960 /nfs/dbraw/zinc/82/39/60/559823960.db2.gz FWWGXYBOEKUJCJ-OCCSQVGLSA-N 2 2 352.435 2.236 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430591778 559823961 /nfs/dbraw/zinc/82/39/61/559823961.db2.gz FWWGXYBOEKUJCJ-OCCSQVGLSA-N 2 2 352.435 2.236 20 5 FEBDLP C[NH2+]CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000430696286 559826526 /nfs/dbraw/zinc/82/65/26/559826526.db2.gz PYFNEIUXWGWCIF-UHFFFAOYSA-N 2 2 374.466 2.187 20 5 FEBDLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382338 559921761 /nfs/dbraw/zinc/92/17/61/559921761.db2.gz YXYDQYFXMMGILA-CYZMBNFOSA-N 2 2 371.384 2.416 20 5 FEBDLP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382338 559921762 /nfs/dbraw/zinc/92/17/62/559921762.db2.gz YXYDQYFXMMGILA-CYZMBNFOSA-N 2 2 371.384 2.416 20 5 FEBDLP C[NH+](C)CC(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805142 560169549 /nfs/dbraw/zinc/16/95/49/560169549.db2.gz HTJDNXAXXYLODP-UHFFFAOYSA-N 2 2 350.463 2.427 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000448936946 560207840 /nfs/dbraw/zinc/20/78/40/560207840.db2.gz OJRFVZWSCYIQRX-INIZCTEOSA-N 2 2 369.425 2.481 20 5 FEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000470173732 560976047 /nfs/dbraw/zinc/97/60/47/560976047.db2.gz NFEFGKZBVVJADP-XAVZPLJISA-N 2 2 372.469 2.237 20 5 FEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000470173732 560976048 /nfs/dbraw/zinc/97/60/48/560976048.db2.gz NFEFGKZBVVJADP-XAVZPLJISA-N 2 2 372.469 2.237 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535315574 562555813 /nfs/dbraw/zinc/55/58/13/562555813.db2.gz YGVUHRHGQJVTEY-CYBMUJFWSA-N 2 2 354.370 2.368 20 5 FEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535315574 562555814 /nfs/dbraw/zinc/55/58/14/562555814.db2.gz YGVUHRHGQJVTEY-CYBMUJFWSA-N 2 2 354.370 2.368 20 5 FEBDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592428493 672801025 /nfs/dbraw/zinc/80/10/25/672801025.db2.gz SCWHXKBYMKQDQJ-UHFFFAOYSA-N 2 2 361.471 2.055 20 5 FEBDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592428493 672801028 /nfs/dbraw/zinc/80/10/28/672801028.db2.gz SCWHXKBYMKQDQJ-UHFFFAOYSA-N 2 2 361.471 2.055 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000749990437 680093644 /nfs/dbraw/zinc/09/36/44/680093644.db2.gz VWQKMXWWGZIDRN-GFCCVEGCSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000749990437 680093647 /nfs/dbraw/zinc/09/36/47/680093647.db2.gz VWQKMXWWGZIDRN-GFCCVEGCSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000050801882 540414292 /nfs/dbraw/zinc/41/42/92/540414292.db2.gz ILARDUXOXLLLCS-QPJJXVBHSA-N 2 2 372.469 2.283 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000116399659 326011182 /nfs/dbraw/zinc/01/11/82/326011182.db2.gz HEOLQLOZLFJUHF-MRXNPFEDSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000116399659 326011184 /nfs/dbraw/zinc/01/11/84/326011184.db2.gz HEOLQLOZLFJUHF-MRXNPFEDSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000297124116 330193903 /nfs/dbraw/zinc/19/39/03/330193903.db2.gz YWODOOPVGSBKCH-AWEZNQCLSA-N 2 2 357.414 2.337 20 5 FEBDLP O=C(NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448625025 330279434 /nfs/dbraw/zinc/27/94/34/330279434.db2.gz KVTVPAQZIJKVKR-UHFFFAOYSA-N 2 2 355.398 2.137 20 5 FEBDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827282 545984183 /nfs/dbraw/zinc/98/41/83/545984183.db2.gz PQUWCRPRGYSSIF-IAGOWNOFSA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827282 545984186 /nfs/dbraw/zinc/98/41/86/545984186.db2.gz PQUWCRPRGYSSIF-IAGOWNOFSA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827282 545984189 /nfs/dbraw/zinc/98/41/89/545984189.db2.gz PQUWCRPRGYSSIF-IAGOWNOFSA-N 2 2 362.474 2.343 20 5 FEBDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827282 545984190 /nfs/dbraw/zinc/98/41/90/545984190.db2.gz PQUWCRPRGYSSIF-IAGOWNOFSA-N 2 2 362.474 2.343 20 5 FEBDLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172234674 546243038 /nfs/dbraw/zinc/24/30/38/546243038.db2.gz XJZOMTLKFKUSRF-AWEZNQCLSA-N 2 2 357.414 2.194 20 5 FEBDLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172234674 546243044 /nfs/dbraw/zinc/24/30/44/546243044.db2.gz XJZOMTLKFKUSRF-AWEZNQCLSA-N 2 2 357.414 2.194 20 5 FEBDLP C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000247687143 549371639 /nfs/dbraw/zinc/37/16/39/549371639.db2.gz SGAHHYFCFUHKHK-KYJSFNMBSA-N 2 2 360.414 2.114 20 5 FEBDLP C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000247687143 549371641 /nfs/dbraw/zinc/37/16/41/549371641.db2.gz SGAHHYFCFUHKHK-KYJSFNMBSA-N 2 2 360.414 2.114 20 5 FEBDLP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000291785691 552661437 /nfs/dbraw/zinc/66/14/37/552661437.db2.gz VNKUCVHYHDVOQZ-UHFFFAOYSA-N 2 2 370.457 2.162 20 5 FEBDLP CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362253543 554958304 /nfs/dbraw/zinc/95/83/04/554958304.db2.gz FGVWAXBDMDTYNG-QGZVFWFLSA-N 2 2 350.438 2.334 20 5 FEBDLP CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362253543 554958306 /nfs/dbraw/zinc/95/83/06/554958306.db2.gz FGVWAXBDMDTYNG-QGZVFWFLSA-N 2 2 350.438 2.334 20 5 FEBDLP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362253543 554958308 /nfs/dbraw/zinc/95/83/08/554958308.db2.gz FGVWAXBDMDTYNG-QGZVFWFLSA-N 2 2 350.438 2.334 20 5 FEBDLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000364229616 555274531 /nfs/dbraw/zinc/27/45/31/555274531.db2.gz NSYODBQLBYBQIH-GJZGRUSLSA-N 2 2 365.478 2.040 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000373781416 557757836 /nfs/dbraw/zinc/75/78/36/557757836.db2.gz HTICYCYPIVUIGS-GOSISDBHSA-N 2 2 362.474 2.205 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000373781416 557757839 /nfs/dbraw/zinc/75/78/39/557757839.db2.gz HTICYCYPIVUIGS-GOSISDBHSA-N 2 2 362.474 2.205 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000373781417 557757936 /nfs/dbraw/zinc/75/79/36/557757936.db2.gz HTICYCYPIVUIGS-SFHVURJKSA-N 2 2 362.474 2.205 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000373781417 557757938 /nfs/dbraw/zinc/75/79/38/557757938.db2.gz HTICYCYPIVUIGS-SFHVURJKSA-N 2 2 362.474 2.205 20 5 FEBDLP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374906013 557948998 /nfs/dbraw/zinc/94/89/98/557948998.db2.gz BLPWOBDBDUYRHX-WMLDXEAASA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374906013 557949000 /nfs/dbraw/zinc/94/90/00/557949000.db2.gz BLPWOBDBDUYRHX-WMLDXEAASA-N 2 2 350.438 2.192 20 5 FEBDLP CC[NH+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000410853788 558817175 /nfs/dbraw/zinc/81/71/75/558817175.db2.gz KNPPOXSRNSXCCE-KBPBESRZSA-N 2 2 357.414 2.335 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420366914 559483402 /nfs/dbraw/zinc/48/34/02/559483402.db2.gz VFJCBWHXAHSZNA-HNNXBMFYSA-N 2 2 350.419 2.039 20 5 FEBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000422004309 559560022 /nfs/dbraw/zinc/56/00/22/559560022.db2.gz GACUEQWRYVQATO-UHFFFAOYSA-N 2 2 374.485 2.156 20 5 FEBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000422004309 559560023 /nfs/dbraw/zinc/56/00/23/559560023.db2.gz GACUEQWRYVQATO-UHFFFAOYSA-N 2 2 374.485 2.156 20 5 FEBDLP O=C(NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448594376 560191886 /nfs/dbraw/zinc/19/18/86/560191886.db2.gz AKDRFMKOTNEHBC-UHFFFAOYSA-N 2 2 357.414 2.386 20 5 FEBDLP CC1(C)CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000577022871 671411317 /nfs/dbraw/zinc/41/13/17/671411317.db2.gz YWWQHCKZORCPAJ-UHFFFAOYSA-N 2 2 369.487 2.267 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000768712160 680955869 /nfs/dbraw/zinc/95/58/69/680955869.db2.gz KDUZPUXGWUFQLD-CYBMUJFWSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000768712160 680955872 /nfs/dbraw/zinc/95/58/72/680955872.db2.gz KDUZPUXGWUFQLD-CYBMUJFWSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000859337703 683086484 /nfs/dbraw/zinc/08/64/84/683086484.db2.gz NVTHNTZHYNOQGX-GFCCVEGCSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000859337703 683086488 /nfs/dbraw/zinc/08/64/88/683086488.db2.gz NVTHNTZHYNOQGX-GFCCVEGCSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078455110 542462233 /nfs/dbraw/zinc/46/22/33/542462233.db2.gz LHPZHXGQKCZNSI-OAHLLOKOSA-N 2 2 357.414 2.337 20 5 FEBDLP C[N@H+](CCCO)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115546285 543572532 /nfs/dbraw/zinc/57/25/32/543572532.db2.gz MEZDHGDCODKYDF-UHFFFAOYSA-N 2 2 351.447 2.142 20 5 FEBDLP C[N@@H+](CCCO)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115546285 543572535 /nfs/dbraw/zinc/57/25/35/543572535.db2.gz MEZDHGDCODKYDF-UHFFFAOYSA-N 2 2 351.447 2.142 20 5 FEBDLP O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000130046485 544136682 /nfs/dbraw/zinc/13/66/82/544136682.db2.gz XKAVRGIBVYIBPS-UHFFFAOYSA-N 2 2 372.469 2.302 20 5 FEBDLP O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000130046485 544136684 /nfs/dbraw/zinc/13/66/84/544136684.db2.gz XKAVRGIBVYIBPS-UHFFFAOYSA-N 2 2 372.469 2.302 20 5 FEBDLP CCOc1cc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000276965969 550616386 /nfs/dbraw/zinc/61/63/86/550616386.db2.gz WFWBQRQCZMFIQM-UHFFFAOYSA-N 2 2 364.490 2.451 20 5 FEBDLP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000277701415 550703506 /nfs/dbraw/zinc/70/35/06/550703506.db2.gz IBJILPPEYITTIE-AWEZNQCLSA-N 2 2 367.446 2.203 20 5 FEBDLP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000277701415 550703508 /nfs/dbraw/zinc/70/35/08/550703508.db2.gz IBJILPPEYITTIE-AWEZNQCLSA-N 2 2 367.446 2.203 20 5 FEBDLP C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000332383324 554435771 /nfs/dbraw/zinc/43/57/71/554435771.db2.gz HTTKZOSWXNAUJT-AWEZNQCLSA-N 2 2 350.438 2.334 20 5 FEBDLP C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000332383324 554435773 /nfs/dbraw/zinc/43/57/73/554435773.db2.gz HTTKZOSWXNAUJT-AWEZNQCLSA-N 2 2 350.438 2.334 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370840496 556986687 /nfs/dbraw/zinc/98/66/87/556986687.db2.gz VXYUXIHZPJDJOK-QGZVFWFLSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370840496 556986689 /nfs/dbraw/zinc/98/66/89/556986689.db2.gz VXYUXIHZPJDJOK-QGZVFWFLSA-N 2 2 360.458 2.144 20 5 FEBDLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047414 557365864 /nfs/dbraw/zinc/36/58/64/557365864.db2.gz QNIPERXCKYSECA-MJGOQNOKSA-N 2 2 362.474 2.042 20 5 FEBDLP COC(=O)COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414852183 559190703 /nfs/dbraw/zinc/19/07/03/559190703.db2.gz QJYZJGBXYQFXAK-OAHLLOKOSA-N 2 2 365.430 2.144 20 5 FEBDLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420363152 559483290 /nfs/dbraw/zinc/48/32/90/559483290.db2.gz PAWFZZJKDJPGPN-PMACEKPBSA-N 2 2 355.438 2.490 20 5 FEBDLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420363152 559483291 /nfs/dbraw/zinc/48/32/91/559483291.db2.gz PAWFZZJKDJPGPN-PMACEKPBSA-N 2 2 355.438 2.490 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420411951 559486484 /nfs/dbraw/zinc/48/64/84/559486484.db2.gz YVJBCSUJYJHYOU-CZUORRHYSA-N 2 2 362.430 2.006 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420411951 559486485 /nfs/dbraw/zinc/48/64/85/559486485.db2.gz YVJBCSUJYJHYOU-CZUORRHYSA-N 2 2 362.430 2.006 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC1CC[NH+](C2CC2)CC1 ZINC000447815994 560169895 /nfs/dbraw/zinc/16/98/95/560169895.db2.gz ILRPQPPDJBXNCN-UHFFFAOYSA-N 2 2 360.458 2.466 20 5 FEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000453273280 560384943 /nfs/dbraw/zinc/38/49/43/560384943.db2.gz VOVSCFCLZKNKDG-GOEBONIOSA-N 2 2 351.447 2.491 20 5 FEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000453273280 560384944 /nfs/dbraw/zinc/38/49/44/560384944.db2.gz VOVSCFCLZKNKDG-GOEBONIOSA-N 2 2 351.447 2.491 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000534309284 562530968 /nfs/dbraw/zinc/53/09/68/562530968.db2.gz XSZBQGYRUSZDGS-CYBMUJFWSA-N 2 2 373.413 2.155 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000534309284 562530969 /nfs/dbraw/zinc/53/09/69/562530969.db2.gz XSZBQGYRUSZDGS-CYBMUJFWSA-N 2 2 373.413 2.155 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000732719845 673379589 /nfs/dbraw/zinc/37/95/89/673379589.db2.gz BUSIONRNGZYCAX-AWEZNQCLSA-N 2 2 363.487 2.050 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000732719845 673379591 /nfs/dbraw/zinc/37/95/91/673379591.db2.gz BUSIONRNGZYCAX-AWEZNQCLSA-N 2 2 363.487 2.050 20 5 FEBDLP O=C(NCC[NH+]1CCCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000076250067 542250468 /nfs/dbraw/zinc/25/04/68/542250468.db2.gz IFVBBYKQGKJWOV-UHFFFAOYSA-N 2 2 357.414 2.386 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000050954591 540416854 /nfs/dbraw/zinc/41/68/54/540416854.db2.gz GLYSKIYVYASUAN-UHFFFAOYSA-N 2 2 363.418 2.474 20 5 FEBDLP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000109751183 543335893 /nfs/dbraw/zinc/33/58/93/543335893.db2.gz BCLBKQIJJHGJQT-KRWDZBQOSA-N 2 2 362.474 2.205 20 5 FEBDLP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000109751183 543335894 /nfs/dbraw/zinc/33/58/94/543335894.db2.gz BCLBKQIJJHGJQT-KRWDZBQOSA-N 2 2 362.474 2.205 20 5 FEBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000130547315 544155609 /nfs/dbraw/zinc/15/56/09/544155609.db2.gz QOKGFOOUWCSEAH-UHFFFAOYSA-N 2 2 374.485 2.202 20 5 FEBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931514 544328443 /nfs/dbraw/zinc/32/84/43/544328443.db2.gz CUOKRCGSVSUBMZ-PBHICJAKSA-N 2 2 358.442 2.142 20 5 FEBDLP NC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931514 544328445 /nfs/dbraw/zinc/32/84/45/544328445.db2.gz CUOKRCGSVSUBMZ-PBHICJAKSA-N 2 2 358.442 2.142 20 5 FEBDLP NC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931514 544328446 /nfs/dbraw/zinc/32/84/46/544328446.db2.gz CUOKRCGSVSUBMZ-PBHICJAKSA-N 2 2 358.442 2.142 20 5 FEBDLP NC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931514 544328449 /nfs/dbraw/zinc/32/84/49/544328449.db2.gz CUOKRCGSVSUBMZ-PBHICJAKSA-N 2 2 358.442 2.142 20 5 FEBDLP Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000127804913 326512851 /nfs/dbraw/zinc/51/28/51/326512851.db2.gz ULNUNMCCHNNGIU-UHFFFAOYSA-N 2 2 363.462 2.359 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000267011342 329282823 /nfs/dbraw/zinc/28/28/23/329282823.db2.gz HLPRNRVSICADKX-MRXNPFEDSA-N 2 2 352.866 2.460 20 5 FEBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000267011342 329282825 /nfs/dbraw/zinc/28/28/25/329282825.db2.gz HLPRNRVSICADKX-MRXNPFEDSA-N 2 2 352.866 2.460 20 5 FEBDLP COc1c[nH+]ccc1N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000483202674 561270270 /nfs/dbraw/zinc/27/02/70/561270270.db2.gz ZMFWADZFLGRQIN-UHFFFAOYSA-N 2 2 358.398 2.199 20 5 FEBDLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272846078 550473300 /nfs/dbraw/zinc/47/33/00/550473300.db2.gz GXCODDNUDSFKBS-CYBMUJFWSA-N 2 2 355.398 2.161 20 5 FEBDLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272846078 550473301 /nfs/dbraw/zinc/47/33/01/550473301.db2.gz GXCODDNUDSFKBS-CYBMUJFWSA-N 2 2 355.398 2.161 20 5 FEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207923 555270224 /nfs/dbraw/zinc/27/02/24/555270224.db2.gz PXEDFEOUUGJMOH-ZDUSSCGKSA-N 2 2 366.849 2.147 20 5 FEBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207923 555270225 /nfs/dbraw/zinc/27/02/25/555270225.db2.gz PXEDFEOUUGJMOH-ZDUSSCGKSA-N 2 2 366.849 2.147 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373762822 557753729 /nfs/dbraw/zinc/75/37/29/557753729.db2.gz YKQDRCHGHLRNQO-QAPCUYQASA-N 2 2 362.474 2.061 20 5 FEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373762822 557753732 /nfs/dbraw/zinc/75/37/32/557753732.db2.gz YKQDRCHGHLRNQO-QAPCUYQASA-N 2 2 362.474 2.061 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374597696 557904412 /nfs/dbraw/zinc/90/44/12/557904412.db2.gz WBUWZPMNSGQOEY-HNNXBMFYSA-N 2 2 362.474 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374597696 557904413 /nfs/dbraw/zinc/90/44/13/557904413.db2.gz WBUWZPMNSGQOEY-HNNXBMFYSA-N 2 2 362.474 2.204 20 5 FEBDLP C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1C1CC[NH+](C)CC1 ZINC000374600050 557905250 /nfs/dbraw/zinc/90/52/50/557905250.db2.gz ABNSTEUYULFTHK-MRXNPFEDSA-N 2 2 362.474 2.074 20 5 FEBDLP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000410853790 558817195 /nfs/dbraw/zinc/81/71/95/558817195.db2.gz KNPPOXSRNSXCCE-OKILXGFUSA-N 2 2 357.414 2.335 20 5 FEBDLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000410853790 558817196 /nfs/dbraw/zinc/81/71/96/558817196.db2.gz KNPPOXSRNSXCCE-OKILXGFUSA-N 2 2 357.414 2.335 20 5 FEBDLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415098153 559205123 /nfs/dbraw/zinc/20/51/23/559205123.db2.gz UZPMKALIEWLENW-KRWDZBQOSA-N 2 2 356.426 2.441 20 5 FEBDLP COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399773 559485477 /nfs/dbraw/zinc/48/54/77/559485477.db2.gz OHVTXAPJFIMBEJ-CJNGLKHVSA-N 2 2 362.430 2.006 20 5 FEBDLP COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399773 559485478 /nfs/dbraw/zinc/48/54/78/559485478.db2.gz OHVTXAPJFIMBEJ-CJNGLKHVSA-N 2 2 362.430 2.006 20 5 FEBDLP Cn1cc[nH+]c1CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432778 559922938 /nfs/dbraw/zinc/92/29/38/559922938.db2.gz OSUIQSALFMQFGJ-KRWDZBQOSA-N 2 2 355.442 2.473 20 5 FEBDLP Cn1ccnc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432778 559922939 /nfs/dbraw/zinc/92/29/39/559922939.db2.gz OSUIQSALFMQFGJ-KRWDZBQOSA-N 2 2 355.442 2.473 20 5 FEBDLP Cn1ccnc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432778 559922940 /nfs/dbraw/zinc/92/29/40/559922940.db2.gz OSUIQSALFMQFGJ-KRWDZBQOSA-N 2 2 355.442 2.473 20 5 FEBDLP Cn1cc[nH+]c1CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435560192 559925239 /nfs/dbraw/zinc/92/52/39/559925239.db2.gz UVTLKBYEGYDWHB-INIZCTEOSA-N 2 2 369.425 2.113 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435612994 559926189 /nfs/dbraw/zinc/92/61/89/559926189.db2.gz ABOHNBSCAOGYBL-ZDUSSCGKSA-N 2 2 350.419 2.006 20 5 FEBDLP CCOc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435612994 559926190 /nfs/dbraw/zinc/92/61/90/559926190.db2.gz ABOHNBSCAOGYBL-ZDUSSCGKSA-N 2 2 350.419 2.006 20 5 FEBDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448752368 560197867 /nfs/dbraw/zinc/19/78/67/560197867.db2.gz UZNNXTWXXLKBGW-CYBMUJFWSA-N 2 2 368.397 2.352 20 5 FEBDLP CC(C)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448907648 560206122 /nfs/dbraw/zinc/20/61/22/560206122.db2.gz DNDVBXTWECUSBJ-UHFFFAOYSA-N 2 2 359.430 2.440 20 5 FEBDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507230 560232324 /nfs/dbraw/zinc/23/23/24/560232324.db2.gz STKNDOSUKRCZKN-SFHVURJKSA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507230 560232325 /nfs/dbraw/zinc/23/23/25/560232325.db2.gz STKNDOSUKRCZKN-SFHVURJKSA-N 2 2 374.485 2.361 20 5 FEBDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507230 560232326 /nfs/dbraw/zinc/23/23/26/560232326.db2.gz STKNDOSUKRCZKN-SFHVURJKSA-N 2 2 374.485 2.361 20 5 FEBDLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451689355 560322164 /nfs/dbraw/zinc/32/21/64/560322164.db2.gz MBISGERQRPIADB-GDBMZVCRSA-N 2 2 369.425 2.479 20 5 FEBDLP C[N@H+](CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000457193363 560555318 /nfs/dbraw/zinc/55/53/18/560555318.db2.gz DCMJHTNEOYMLRU-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP C[N@@H+](CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000457193363 560555320 /nfs/dbraw/zinc/55/53/20/560555320.db2.gz DCMJHTNEOYMLRU-UHFFFAOYSA-N 2 2 357.414 2.385 20 5 FEBDLP COC(=O)COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000475710823 561102889 /nfs/dbraw/zinc/10/28/89/561102889.db2.gz SNOIQEWTBRXDLR-UHFFFAOYSA-N 2 2 374.397 2.249 20 5 FEBDLP C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000047147709 540292736 /nfs/dbraw/zinc/29/27/36/540292736.db2.gz CZWDWTZSRFOLML-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000047147709 540292739 /nfs/dbraw/zinc/29/27/39/540292739.db2.gz CZWDWTZSRFOLML-CQSZACIVSA-N 2 2 357.414 2.242 20 5 FEBDLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000075777549 542202883 /nfs/dbraw/zinc/20/28/83/542202883.db2.gz FHHAUBRVPPXNAY-LJQANCHMSA-N 2 2 355.438 2.412 20 5 FEBDLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000075777549 542202884 /nfs/dbraw/zinc/20/28/84/542202884.db2.gz FHHAUBRVPPXNAY-LJQANCHMSA-N 2 2 355.438 2.412 20 5 FEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000123716756 543779057 /nfs/dbraw/zinc/77/90/57/543779057.db2.gz WNOGLJFNWWAWGF-WBVHZDCISA-N 2 2 374.441 2.023 20 5 FEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000123716756 543779061 /nfs/dbraw/zinc/77/90/61/543779061.db2.gz WNOGLJFNWWAWGF-WBVHZDCISA-N 2 2 374.441 2.023 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843823 326107327 /nfs/dbraw/zinc/10/73/27/326107327.db2.gz OJOGLGULLPDYFY-UONOGXRCSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843823 326107330 /nfs/dbraw/zinc/10/73/30/326107330.db2.gz OJOGLGULLPDYFY-UONOGXRCSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843823 326107332 /nfs/dbraw/zinc/10/73/32/326107332.db2.gz OJOGLGULLPDYFY-UONOGXRCSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843823 326107336 /nfs/dbraw/zinc/10/73/36/326107336.db2.gz OJOGLGULLPDYFY-UONOGXRCSA-N 2 2 364.446 2.204 20 5 FEBDLP Cn1cc[nH+]c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000275832773 330094044 /nfs/dbraw/zinc/09/40/44/330094044.db2.gz WYAUQTWJHVMQHI-INIZCTEOSA-N 2 2 369.425 2.113 20 5 FEBDLP Cn1cc[nH+]c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275832780 330094244 /nfs/dbraw/zinc/09/42/44/330094244.db2.gz WYAUQTWJHVMQHI-MRXNPFEDSA-N 2 2 369.425 2.113 20 5 FEBDLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000155311487 545508976 /nfs/dbraw/zinc/50/89/76/545508976.db2.gz DPLLELFJWDJJSF-DOTOQJQBSA-N 2 2 362.474 2.497 20 5 FEBDLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000155311487 545508977 /nfs/dbraw/zinc/50/89/77/545508977.db2.gz DPLLELFJWDJJSF-DOTOQJQBSA-N 2 2 362.474 2.497 20 5 FEBDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181108453 547250654 /nfs/dbraw/zinc/25/06/54/547250654.db2.gz CISUVKOHFNPCGE-UHFFFAOYSA-N 2 2 351.794 2.405 20 5 FEBDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181108453 547250661 /nfs/dbraw/zinc/25/06/61/547250661.db2.gz CISUVKOHFNPCGE-UHFFFAOYSA-N 2 2 351.794 2.405 20 5 FEBDLP C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000490630238 561436417 /nfs/dbraw/zinc/43/64/17/561436417.db2.gz JWCRXQOYUFMXGM-WMLDXEAASA-N 2 2 350.438 2.192 20 5 FEBDLP C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000490630238 561436418 /nfs/dbraw/zinc/43/64/18/561436418.db2.gz JWCRXQOYUFMXGM-WMLDXEAASA-N 2 2 350.438 2.192 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281341968 551086612 /nfs/dbraw/zinc/08/66/12/551086612.db2.gz MNZDNAGLIGYJLZ-AWEZNQCLSA-N 2 2 364.446 2.348 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281341968 551086614 /nfs/dbraw/zinc/08/66/14/551086614.db2.gz MNZDNAGLIGYJLZ-AWEZNQCLSA-N 2 2 364.446 2.348 20 5 FEBDLP C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285497393 551765442 /nfs/dbraw/zinc/76/54/42/551765442.db2.gz MMVHKEDRTQEPAN-FKEKPDDDSA-N 2 2 358.442 2.041 20 5 FEBDLP C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285497393 551765445 /nfs/dbraw/zinc/76/54/45/551765445.db2.gz MMVHKEDRTQEPAN-FKEKPDDDSA-N 2 2 358.442 2.041 20 5 FEBDLP C[NH+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285497393 551765448 /nfs/dbraw/zinc/76/54/48/551765448.db2.gz MMVHKEDRTQEPAN-FKEKPDDDSA-N 2 2 358.442 2.041 20 5 FEBDLP C[NH+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285497393 551765450 /nfs/dbraw/zinc/76/54/50/551765450.db2.gz MMVHKEDRTQEPAN-FKEKPDDDSA-N 2 2 358.442 2.041 20 5 FEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755080 555394267 /nfs/dbraw/zinc/39/42/67/555394267.db2.gz AJJYFYPSHBHWSJ-KMFMINBZSA-N 2 2 364.402 2.187 20 5 FEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755080 555394269 /nfs/dbraw/zinc/39/42/69/555394269.db2.gz AJJYFYPSHBHWSJ-KMFMINBZSA-N 2 2 364.402 2.187 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367661604 556107744 /nfs/dbraw/zinc/10/77/44/556107744.db2.gz RSOFRSAANPWMPF-INIZCTEOSA-N 2 2 362.474 2.063 20 5 FEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367661604 556107746 /nfs/dbraw/zinc/10/77/46/556107746.db2.gz RSOFRSAANPWMPF-INIZCTEOSA-N 2 2 362.474 2.063 20 5 FEBDLP CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370838729 556985893 /nfs/dbraw/zinc/98/58/93/556985893.db2.gz GRYLBCWYWPQEML-OVKVCFKUSA-N 2 2 372.469 2.235 20 5 FEBDLP CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370838729 556985895 /nfs/dbraw/zinc/98/58/95/556985895.db2.gz GRYLBCWYWPQEML-OVKVCFKUSA-N 2 2 372.469 2.235 20 5 FEBDLP C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371821682 557302992 /nfs/dbraw/zinc/30/29/92/557302992.db2.gz BYQPISPVUSMVKA-LCJXNMAOSA-N 2 2 372.469 2.283 20 5 FEBDLP C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371821682 557302996 /nfs/dbraw/zinc/30/29/96/557302996.db2.gz BYQPISPVUSMVKA-LCJXNMAOSA-N 2 2 372.469 2.283 20 5 FEBDLP CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376817490 558225566 /nfs/dbraw/zinc/22/55/66/558225566.db2.gz CIBQJZVWFHBEFY-AWEZNQCLSA-N 2 2 353.854 2.248 20 5 FEBDLP CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376817490 558225568 /nfs/dbraw/zinc/22/55/68/558225568.db2.gz CIBQJZVWFHBEFY-AWEZNQCLSA-N 2 2 353.854 2.248 20 5 FEBDLP COC(=O)[C@@H]([NH2+]CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000413321658 559098574 /nfs/dbraw/zinc/09/85/74/559098574.db2.gz GPPIVQKUPGTNQQ-INIZCTEOSA-N 2 2 360.414 2.732 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000420317301 559480025 /nfs/dbraw/zinc/48/00/25/559480025.db2.gz ZIIZUFNZFHVAGL-ZKYQVNSYSA-N 2 2 352.822 2.246 20 5 FEBDLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000420317301 559480026 /nfs/dbraw/zinc/48/00/26/559480026.db2.gz ZIIZUFNZFHVAGL-ZKYQVNSYSA-N 2 2 352.822 2.246 20 5 FEBDLP COc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000420331375 559480956 /nfs/dbraw/zinc/48/09/56/559480956.db2.gz BVFJTOPKTVCNPK-OAHLLOKOSA-N 2 2 362.430 2.006 20 5 FEBDLP COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432786036 559865043 /nfs/dbraw/zinc/86/50/43/559865043.db2.gz BEGXHJBNNHQFSE-OAHLLOKOSA-N 2 2 365.430 2.063 20 5 FEBDLP COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432786036 559865044 /nfs/dbraw/zinc/86/50/44/559865044.db2.gz BEGXHJBNNHQFSE-OAHLLOKOSA-N 2 2 365.430 2.063 20 5 FEBDLP CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435613413 559926151 /nfs/dbraw/zinc/92/61/51/559926151.db2.gz JSHSTQWBZOXMEP-CYBMUJFWSA-N 2 2 350.419 2.006 20 5 FEBDLP CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435613413 559926152 /nfs/dbraw/zinc/92/61/52/559926152.db2.gz JSHSTQWBZOXMEP-CYBMUJFWSA-N 2 2 350.419 2.006 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000448837174 560201744 /nfs/dbraw/zinc/20/17/44/560201744.db2.gz SBZUWKOTGHVSMA-UHFFFAOYSA-N 2 2 366.381 2.454 20 5 FEBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000448933040 560207407 /nfs/dbraw/zinc/20/74/07/560207407.db2.gz NMOBSPDADPSFLX-INIZCTEOSA-N 2 2 369.425 2.481 20 5 FEBDLP C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C[NH+](C)C ZINC000449938527 560245850 /nfs/dbraw/zinc/24/58/50/560245850.db2.gz JSUVEIPUPJYPSF-ZDUSSCGKSA-N 2 2 359.430 2.487 20 5 FEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC([NH+]2CCCC2)CC1 ZINC000472344003 561024830 /nfs/dbraw/zinc/02/48/30/561024830.db2.gz BGYYMOYRHAWHRJ-UHFFFAOYSA-N 2 2 374.485 2.492 20 5 FEBDLP Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000535229993 562553531 /nfs/dbraw/zinc/55/35/31/562553531.db2.gz IIJRPRZYXYFSQS-SJPCQFCGSA-N 2 2 372.469 2.286 20 5 FEBDLP Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000535229993 562553532 /nfs/dbraw/zinc/55/35/32/562553532.db2.gz IIJRPRZYXYFSQS-SJPCQFCGSA-N 2 2 372.469 2.286 20 5 FEBDLP CCC1([NH+](C)C)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602967717 673914775 /nfs/dbraw/zinc/91/47/75/673914775.db2.gz PHUVCTGPIGHIAV-INIZCTEOSA-N 2 2 351.447 2.141 20 5 FEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762739 684583164 /nfs/dbraw/zinc/58/31/64/684583164.db2.gz NRPDIEALXYJFCF-MFKMUULPSA-N 2 2 358.236 2.214 20 5 FEBDLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153791573 326742857 /nfs/dbraw/zinc/74/28/57/326742857.db2.gz IDKXFCGGISLYRO-ZDUSSCGKSA-N 2 2 354.370 2.043 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000246904574 549239455 /nfs/dbraw/zinc/23/94/55/549239455.db2.gz MFQKPKORXFXCLV-KBPBESRZSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000246904574 549239456 /nfs/dbraw/zinc/23/94/56/549239456.db2.gz MFQKPKORXFXCLV-KBPBESRZSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000246904574 549239457 /nfs/dbraw/zinc/23/94/57/549239457.db2.gz MFQKPKORXFXCLV-KBPBESRZSA-N 2 2 364.446 2.204 20 5 FEBDLP COc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000246904574 549239458 /nfs/dbraw/zinc/23/94/58/549239458.db2.gz MFQKPKORXFXCLV-KBPBESRZSA-N 2 2 364.446 2.204 20 5 FEBDLP C[NH+](C)C1CC[NH+](CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000287982269 552070699 /nfs/dbraw/zinc/07/06/99/552070699.db2.gz AORUPNDUCNAWIQ-UHFFFAOYSA-N 2 2 350.448 2.037 20 5 FEBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000361581159 554925525 /nfs/dbraw/zinc/92/55/25/554925525.db2.gz HTEAACCBCOBVPE-INIZCTEOSA-N 2 2 369.425 2.481 20 5 FEBDLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365641866 555629271 /nfs/dbraw/zinc/62/92/71/555629271.db2.gz VUHRFRWSZPZJNC-CQSZACIVSA-N 2 2 357.414 2.171 20 5 FEBDLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365641866 555629274 /nfs/dbraw/zinc/62/92/74/555629274.db2.gz VUHRFRWSZPZJNC-CQSZACIVSA-N 2 2 357.414 2.171 20 5 FEBDLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367284683 556008355 /nfs/dbraw/zinc/00/83/55/556008355.db2.gz FLUQCPNYJQMJPX-INIZCTEOSA-N 2 2 350.438 2.336 20 5 FEBDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367284683 556008356 /nfs/dbraw/zinc/00/83/56/556008356.db2.gz FLUQCPNYJQMJPX-INIZCTEOSA-N 2 2 350.438 2.336 20 5 FEBDLP C[NH+](C)CC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000517497708 562091295 /nfs/dbraw/zinc/09/12/95/562091295.db2.gz SQRRWLUGBHTKFD-UHFFFAOYSA-N 2 2 362.474 2.205 20 5 FEBDLP Cc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371469456 557190738 /nfs/dbraw/zinc/19/07/38/557190738.db2.gz FMDMGNPGMAGDFT-OAHLLOKOSA-N 2 2 360.458 2.144 20 5 FEBDLP Cc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371469456 557190740 /nfs/dbraw/zinc/19/07/40/557190740.db2.gz FMDMGNPGMAGDFT-OAHLLOKOSA-N 2 2 360.458 2.144 20 5 FEBDLP CCc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000378364628 558539779 /nfs/dbraw/zinc/53/97/79/558539779.db2.gz CRAYHDQJEMQRKX-OAHLLOKOSA-N 2 2 374.485 2.398 20 5 FEBDLP CCc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000378364628 558539780 /nfs/dbraw/zinc/53/97/80/558539780.db2.gz CRAYHDQJEMQRKX-OAHLLOKOSA-N 2 2 374.485 2.398 20 5 FEBDLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414831847 559190062 /nfs/dbraw/zinc/19/00/62/559190062.db2.gz QAPZDBQNDZXWAJ-NSHDSACASA-N 2 2 359.373 2.337 20 5 FEBDLP CC[NH+](CC)[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447801917 560169446 /nfs/dbraw/zinc/16/94/46/560169446.db2.gz FRYARPOKRCINQW-KRWDZBQOSA-N 2 2 362.474 2.348 20 5 FEBDLP O=C(NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448676994 560193717 /nfs/dbraw/zinc/19/37/17/560193717.db2.gz KFHZPOILJFVBBZ-UHFFFAOYSA-N 2 2 357.414 2.386 20 5 FEBDLP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000449931059 560245752 /nfs/dbraw/zinc/24/57/52/560245752.db2.gz XWALEBNSBCUYBF-HIFRSBDPSA-N 2 2 357.414 2.335 20 5 FEBDLP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000449931059 560245753 /nfs/dbraw/zinc/24/57/53/560245753.db2.gz XWALEBNSBCUYBF-HIFRSBDPSA-N 2 2 357.414 2.335 20 5 FEBDLP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC000450146944 560252178 /nfs/dbraw/zinc/25/21/78/560252178.db2.gz MJONSJUMEMHXSJ-HOTGVXAUSA-N 2 2 369.425 2.337 20 5 FEBDLP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC000450146944 560252179 /nfs/dbraw/zinc/25/21/79/560252179.db2.gz MJONSJUMEMHXSJ-HOTGVXAUSA-N 2 2 369.425 2.337 20 5 FEBDLP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451720522 560324468 /nfs/dbraw/zinc/32/44/68/560324468.db2.gz NDWASWFRKWEFJO-HNNXBMFYSA-N 2 2 357.414 2.385 20 5 FEBDLP CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451720522 560324469 /nfs/dbraw/zinc/32/44/69/560324469.db2.gz NDWASWFRKWEFJO-HNNXBMFYSA-N 2 2 357.414 2.385 20 5 FEBDLP O=C(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000816620916 675069182 /nfs/dbraw/zinc/06/91/82/675069182.db2.gz QMRBCGBYGGWGDC-UHFFFAOYSA-N 2 2 368.865 2.330 20 5 FEBDLP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000931482010 684290047 /nfs/dbraw/zinc/29/00/47/684290047.db2.gz YOPREZUOKWJOLT-UHFFFAOYSA-N 2 2 372.263 2.246 20 5 FEBDLP