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-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001333528923 958403113 /nfs/dbraw/zinc/40/31/13/958403113.db2.gz JEWZMSZMXYNTTP-AWEZNQCLSA-N 2 2 289.335 1.289 10 5 CDBELP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001333528923 958403126 /nfs/dbraw/zinc/40/31/26/958403126.db2.gz JEWZMSZMXYNTTP-AWEZNQCLSA-N 2 2 289.335 1.289 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000595890102 343181634 /nfs/dbraw/zinc/18/16/34/343181634.db2.gz BQNQNBNQHAFJLK-HNNXBMFYSA-N 2 2 291.351 1.548 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000595890102 343181635 /nfs/dbraw/zinc/18/16/35/343181635.db2.gz BQNQNBNQHAFJLK-HNNXBMFYSA-N 2 2 291.351 1.548 10 5 CDBELP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654354 359660437 /nfs/dbraw/zinc/66/04/37/359660437.db2.gz XOGJZAROHDSEAO-AAEUAGOBSA-N 2 2 293.367 1.701 10 5 CDBELP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654354 359660443 /nfs/dbraw/zinc/66/04/43/359660443.db2.gz XOGJZAROHDSEAO-AAEUAGOBSA-N 2 2 293.367 1.701 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000183597922 189363355 /nfs/dbraw/zinc/36/33/55/189363355.db2.gz NXSXEOQQKRKKOR-CQSZACIVSA-N 2 2 281.356 1.305 10 5 CDBELP O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903469415 626003238 /nfs/dbraw/zinc/00/32/38/626003238.db2.gz URKVHJFAGIFCBX-AWEZNQCLSA-N 2 2 291.351 1.848 10 5 CDBELP Cn1cc[nH+]c1CC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000045134282 175312852 /nfs/dbraw/zinc/31/28/52/175312852.db2.gz MAGITRSCHMIWCC-UHFFFAOYSA-N 2 2 290.323 1.539 10 5 CDBELP [NH3+]CCc1[nH+]ccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000062802701 527198909 /nfs/dbraw/zinc/19/89/09/527198909.db2.gz HUJOSBKZLJCKPM-UHFFFAOYSA-N 2 2 260.297 1.535 10 5 CDBELP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[NH2+]CCO1 ZINC000595892945 343182234 /nfs/dbraw/zinc/18/22/34/343182234.db2.gz SKZPHGFFGGSPCM-OAHLLOKOSA-N 2 2 293.367 1.794 10 5 CDBELP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001334040788 958789484 /nfs/dbraw/zinc/78/94/84/958789484.db2.gz KTBQTCXMNKNDML-RISCZKNCSA-N 2 2 275.352 1.808 10 5 CDBELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001334040788 958789500 /nfs/dbraw/zinc/78/95/00/958789500.db2.gz KTBQTCXMNKNDML-RISCZKNCSA-N 2 2 275.352 1.808 10 5 CDBELP COCC[NH2+]C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000565366162 365639515 /nfs/dbraw/zinc/63/95/15/365639515.db2.gz ALFGONGMSIOJGJ-UHFFFAOYSA-N 2 2 293.367 1.795 10 5 CDBELP CCO[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593316275 342787974 /nfs/dbraw/zinc/78/79/74/342787974.db2.gz OHQIGKHMVBBYNK-UKRRQHHQSA-N 2 2 293.367 1.699 10 5 CDBELP CCO[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593316275 342787976 /nfs/dbraw/zinc/78/79/76/342787976.db2.gz OHQIGKHMVBBYNK-UKRRQHHQSA-N 2 2 293.367 1.699 10 5 CDBELP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728052 342829815 /nfs/dbraw/zinc/82/98/15/342829815.db2.gz XPEDKKMUFGNOAK-ZDUSSCGKSA-N 2 2 265.313 1.471 10 5 CDBELP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728052 342829816 /nfs/dbraw/zinc/82/98/16/342829816.db2.gz XPEDKKMUFGNOAK-ZDUSSCGKSA-N 2 2 265.313 1.471 10 5 CDBELP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000593969890 342858733 /nfs/dbraw/zinc/85/87/33/342858733.db2.gz FEHDSMSRZSDEBN-HUUCEWRRSA-N 2 2 295.383 1.948 10 5 CDBELP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000593969890 342858735 /nfs/dbraw/zinc/85/87/35/342858735.db2.gz FEHDSMSRZSDEBN-HUUCEWRRSA-N 2 2 295.383 1.948 10 5 CDBELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000340107403 359563073 /nfs/dbraw/zinc/56/30/73/359563073.db2.gz DITDZAFAOUOZKN-BXUZGUMPSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000340107403 359563075 /nfs/dbraw/zinc/56/30/75/359563075.db2.gz DITDZAFAOUOZKN-BXUZGUMPSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654363 359660239 /nfs/dbraw/zinc/66/02/39/359660239.db2.gz XOGJZAROHDSEAO-YPMHNXCESA-N 2 2 293.367 1.701 10 5 CDBELP C[NH+]1CCC([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000035308234 172121837 /nfs/dbraw/zinc/12/18/37/172121837.db2.gz KJEJLTNIDDNPEH-UHFFFAOYSA-N 2 2 267.304 1.918 10 5 CDBELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000062802778 525001654 /nfs/dbraw/zinc/00/16/54/525001654.db2.gz JTTZOXJNZCWHKB-SNVBAGLBSA-N 2 2 260.297 1.729 10 5 CDBELP Cc1[nH]c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000054822441 526886773 /nfs/dbraw/zinc/88/67/73/526886773.db2.gz VZWAWRIHFRNCFF-UHFFFAOYSA-N 2 2 260.297 1.959 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925490190 724419787 /nfs/dbraw/zinc/41/97/87/724419787.db2.gz LYUVZFABRVNRJF-KBPBESRZSA-N 2 2 291.351 1.963 10 5 CDBELP CC1([NH3+])CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593728036 342829849 /nfs/dbraw/zinc/82/98/49/342829849.db2.gz WVOPEWJWDPKBPW-UHFFFAOYSA-N 2 2 265.313 1.614 10 5 CDBELP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593924343 342852266 /nfs/dbraw/zinc/85/22/66/342852266.db2.gz MKKHTOTXAVHRDL-GXSJLCMTSA-N 2 2 265.313 1.612 10 5 CDBELP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593924343 342852267 /nfs/dbraw/zinc/85/22/67/342852267.db2.gz MKKHTOTXAVHRDL-GXSJLCMTSA-N 2 2 265.313 1.612 10 5 CDBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313363250 260287473 /nfs/dbraw/zinc/28/74/73/260287473.db2.gz VZEWVDPHWXRLGP-FZMZJTMJSA-N 2 2 279.340 1.705 10 5 CDBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313363250 260287474 /nfs/dbraw/zinc/28/74/74/260287474.db2.gz VZEWVDPHWXRLGP-FZMZJTMJSA-N 2 2 279.340 1.705 10 5 CDBELP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000601327196 342554136 /nfs/dbraw/zinc/55/41/36/342554136.db2.gz SIAPMYGUVLIUMH-KOLCDFICSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000601327196 342554137 /nfs/dbraw/zinc/55/41/37/342554137.db2.gz SIAPMYGUVLIUMH-KOLCDFICSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000601328692 342554446 /nfs/dbraw/zinc/55/44/46/342554446.db2.gz WHIYKFXUXVHXKA-LBPRGKRZSA-N 2 2 293.367 1.702 10 5 CDBELP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000593735040 342830893 /nfs/dbraw/zinc/83/08/93/342830893.db2.gz VQXNXTBNQROUCN-WFASDCNBSA-N 2 2 291.351 1.861 10 5 CDBELP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000593735040 342830894 /nfs/dbraw/zinc/83/08/94/342830894.db2.gz VQXNXTBNQROUCN-WFASDCNBSA-N 2 2 291.351 1.861 10 5 CDBELP [NH3+]CCc1[nH+]ccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000062802688 527199415 /nfs/dbraw/zinc/19/94/15/527199415.db2.gz IROULRNYTASREN-UHFFFAOYSA-N 2 2 264.260 1.480 10 5 CDBELP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cs1 ZINC000903955104 626166347 /nfs/dbraw/zinc/16/63/47/626166347.db2.gz KVDVGYKSLZJBFC-VIFPVBQESA-N 2 2 291.323 1.991 10 5 CDBELP C[NH2+]CCOCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000600729845 342245574 /nfs/dbraw/zinc/24/55/74/342245574.db2.gz XYXFTIWEQOOLOG-UHFFFAOYSA-N 2 2 285.319 1.402 10 5 CDBELP C[NH2+]CCOCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000600729845 342245575 /nfs/dbraw/zinc/24/55/75/342245575.db2.gz XYXFTIWEQOOLOG-UHFFFAOYSA-N 2 2 285.319 1.402 10 5 CDBELP COC[C@](C)([NH3+])CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599044635 343949293 /nfs/dbraw/zinc/94/92/93/343949293.db2.gz RHDMMSSQLYBECQ-CQSZACIVSA-N 2 2 290.323 1.919 10 5 CDBELP O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000267106672 190304213 /nfs/dbraw/zinc/30/42/13/190304213.db2.gz WINKHMIREBUSQW-UHFFFAOYSA-N 2 2 290.327 1.394 10 5 CDBELP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000923399494 731183614 /nfs/dbraw/zinc/18/36/14/731183614.db2.gz QIVLAJTVPAICCO-UONOGXRCSA-N 2 2 291.351 1.502 10 5 CDBELP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354060 933547740 /nfs/dbraw/zinc/54/77/40/933547740.db2.gz IUVLFICDDAQQEI-UHFFFAOYSA-N 2 2 295.387 1.516 10 5 CDBELP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000611515389 346807272 /nfs/dbraw/zinc/80/72/72/346807272.db2.gz YUGIYZGPRRWKKN-RYUDHWBXSA-N 2 2 277.324 1.255 10 5 CDBELP C[NH2+]Cc1ccc([N+](=O)[O-])c(OCCn2cc[nH+]c2)c1 ZINC000050516676 522124039 /nfs/dbraw/zinc/12/40/39/522124039.db2.gz GXQVUDCKPDKIQK-UHFFFAOYSA-N 2 2 276.296 1.590 10 5 CDBELP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000601327198 342554115 /nfs/dbraw/zinc/55/41/15/342554115.db2.gz SIAPMYGUVLIUMH-ONGXEEELSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C[NH3+] ZINC000601327198 342554116 /nfs/dbraw/zinc/55/41/16/342554116.db2.gz SIAPMYGUVLIUMH-ONGXEEELSA-N 2 2 267.304 1.761 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333897 342555026 /nfs/dbraw/zinc/55/50/26/342555026.db2.gz IFHNGXGTQDECEG-BXUZGUMPSA-N 2 2 291.351 1.874 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333897 342555027 /nfs/dbraw/zinc/55/50/27/342555027.db2.gz IFHNGXGTQDECEG-BXUZGUMPSA-N 2 2 291.351 1.874 10 5 CDBELP COc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415070224 391254054 /nfs/dbraw/zinc/25/40/54/391254054.db2.gz QDFKTEUWMARDCU-GFCCVEGCSA-N 2 2 279.340 1.835 10 5 CDBELP Cn1c[nH+]c(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000313287822 270324705 /nfs/dbraw/zinc/32/47/05/270324705.db2.gz XPSHEQTUGBXRKE-UHFFFAOYSA-N 2 2 278.287 1.800 10 5 CDBELP C[N@@H+]1C[C@]2(C)C[NH+](CCn3ccc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000931312106 736889337 /nfs/dbraw/zinc/88/93/37/736889337.db2.gz UXWUATRGMWJELZ-OKILXGFUSA-N 2 2 293.371 1.065 10 5 CDBELP C[N@H+]1C[C@]2(C)C[NH+](CCn3ccc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000931312106 736889339 /nfs/dbraw/zinc/88/93/39/736889339.db2.gz UXWUATRGMWJELZ-OKILXGFUSA-N 2 2 293.371 1.065 10 5 CDBELP C[NH+]1C[C@]2(C)C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000931312106 736889341 /nfs/dbraw/zinc/88/93/41/736889341.db2.gz UXWUATRGMWJELZ-OKILXGFUSA-N 2 2 293.371 1.065 10 5 CDBELP C[NH+]1C[C@]2(C)C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000931312106 736889342 /nfs/dbraw/zinc/88/93/42/736889342.db2.gz UXWUATRGMWJELZ-OKILXGFUSA-N 2 2 293.371 1.065 10 5 CDBELP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727049 342829563 /nfs/dbraw/zinc/82/95/63/342829563.db2.gz BHCYJNXOHWPOLB-NSHDSACASA-N 2 2 279.340 1.861 10 5 CDBELP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727049 342829565 /nfs/dbraw/zinc/82/95/65/342829565.db2.gz BHCYJNXOHWPOLB-NSHDSACASA-N 2 2 279.340 1.861 10 5 CDBELP [NH3+]CC12CC(C1)C[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000595908926 343189476 /nfs/dbraw/zinc/18/94/76/343189476.db2.gz JQXLTBQTVVTPSM-UHFFFAOYSA-N 2 2 261.325 1.560 10 5 CDBELP [NH3+]CC12CC(C1)C[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000595908926 343189477 /nfs/dbraw/zinc/18/94/77/343189477.db2.gz JQXLTBQTVVTPSM-UHFFFAOYSA-N 2 2 261.325 1.560 10 5 CDBELP C[N@H+](Cc1ccc([N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747183 174392782 /nfs/dbraw/zinc/39/27/82/174392782.db2.gz UIXBOBWAMSJVSU-ZACCUICWSA-N 2 2 265.313 1.903 10 5 CDBELP C[N@@H+](Cc1ccc([N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747183 174392783 /nfs/dbraw/zinc/39/27/83/174392783.db2.gz UIXBOBWAMSJVSU-ZACCUICWSA-N 2 2 265.313 1.903 10 5 CDBELP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1[N+](=O)[O-] ZINC000925735544 618054783 /nfs/dbraw/zinc/05/47/83/618054783.db2.gz VVCVEKOFIDNUHG-XNHWPECASA-N 2 2 287.363 1.989 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000600679232 342242112 /nfs/dbraw/zinc/24/21/12/342242112.db2.gz SZRPWNJIIDCPBD-CYBMUJFWSA-N 2 2 261.325 1.969 10 5 CDBELP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414953664 371035557 /nfs/dbraw/zinc/03/55/57/371035557.db2.gz JYHNOWIYTFHZCH-NOZJJQNGSA-N 2 2 267.304 1.822 10 5 CDBELP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854226149 745249046 /nfs/dbraw/zinc/24/90/46/745249046.db2.gz CYDAWOJRDSVOGM-IPWFMCSPSA-N 2 2 276.340 1.580 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000872154345 748058708 /nfs/dbraw/zinc/05/87/08/748058708.db2.gz XSRFMIJHZMHQQX-SWLSCSKDSA-N 2 2 291.351 1.515 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000872154345 748058715 /nfs/dbraw/zinc/05/87/15/748058715.db2.gz XSRFMIJHZMHQQX-SWLSCSKDSA-N 2 2 291.351 1.515 10 5 CDBELP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC001328437260 955294940 /nfs/dbraw/zinc/29/49/40/955294940.db2.gz NYVZOGYDMHKTJX-CQSZACIVSA-N 2 2 289.335 1.431 10 5 CDBELP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC001328437260 955294945 /nfs/dbraw/zinc/29/49/45/955294945.db2.gz NYVZOGYDMHKTJX-CQSZACIVSA-N 2 2 289.335 1.431 10 5 CDBELP C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000593724932 342829460 /nfs/dbraw/zinc/82/94/60/342829460.db2.gz BVLVDUIYKJWHJW-JOYOIKCWSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000593724932 342829461 /nfs/dbraw/zinc/82/94/61/342829461.db2.gz BVLVDUIYKJWHJW-JOYOIKCWSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414957190 371171207 /nfs/dbraw/zinc/17/12/07/371171207.db2.gz NXCDPLDPNJWJDV-SCZZXKLOSA-N 2 2 255.343 1.744 10 5 CDBELP COc1cc(C[NH2+]CCC[NH+]2CCC2)c([N+](=O)[O-])cc1O ZINC000577191794 317283393 /nfs/dbraw/zinc/28/33/93/317283393.db2.gz XCIOANTXSVLLQH-UHFFFAOYSA-N 2 2 295.339 1.494 10 5 CDBELP O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903469611 626003242 /nfs/dbraw/zinc/00/32/42/626003242.db2.gz VWZQMGQJQGTORQ-CQSZACIVSA-N 2 2 291.351 1.848 10 5 CDBELP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000600677881 342242006 /nfs/dbraw/zinc/24/20/06/342242006.db2.gz KPFITOMHGHLEJY-UHFFFAOYSA-N 2 2 299.758 1.846 10 5 CDBELP C[C@@H]([NH3+])Cc1[nH+]ccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000062802880 525000007 /nfs/dbraw/zinc/00/00/07/525000007.db2.gz PFWMTSBVDLAGFI-LLVKDONJSA-N 2 2 274.324 1.924 10 5 CDBELP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1[N+](=O)[O-] ZINC000925735543 618054801 /nfs/dbraw/zinc/05/48/01/618054801.db2.gz VVCVEKOFIDNUHG-UNPMEBSKSA-N 2 2 287.363 1.989 10 5 CDBELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccccc1[N+](=O)[O-] ZINC000062802827 524836282 /nfs/dbraw/zinc/83/62/82/524836282.db2.gz XOIUFGNRCOAUMU-JTQLQIEISA-N 2 2 260.297 1.729 10 5 CDBELP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724969 342829280 /nfs/dbraw/zinc/82/92/80/342829280.db2.gz CWNCHMXGHGLFDK-MNOVXSKESA-N 2 2 279.340 1.860 10 5 CDBELP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724969 342829281 /nfs/dbraw/zinc/82/92/81/342829281.db2.gz CWNCHMXGHGLFDK-MNOVXSKESA-N 2 2 279.340 1.860 10 5 CDBELP Cc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000596111419 343230288 /nfs/dbraw/zinc/23/02/88/343230288.db2.gz XYFDHBLGCKAWBX-UHFFFAOYSA-N 2 2 261.325 1.745 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377770953 374619815 /nfs/dbraw/zinc/61/98/15/374619815.db2.gz CPGGBEOOYXJNCH-NSHDSACASA-N 2 2 272.308 1.965 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377770953 374619825 /nfs/dbraw/zinc/61/98/25/374619825.db2.gz CPGGBEOOYXJNCH-NSHDSACASA-N 2 2 272.308 1.965 10 5 CDBELP COCC[N@H+](C)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726615 523605470 /nfs/dbraw/zinc/60/54/70/523605470.db2.gz ODVFOWVKPSTKGP-UHFFFAOYSA-N 2 2 281.356 1.305 10 5 CDBELP COCC[N@@H+](C)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726615 523605478 /nfs/dbraw/zinc/60/54/78/523605478.db2.gz ODVFOWVKPSTKGP-UHFFFAOYSA-N 2 2 281.356 1.305 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000052304621 527198893 /nfs/dbraw/zinc/19/88/93/527198893.db2.gz UDCQBRYZTQCFGE-UHFFFAOYSA-N 2 2 277.240 1.190 10 5 CDBELP C[NH+]1C[C@]2(C)C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000823755742 925725696 /nfs/dbraw/zinc/72/56/96/925725696.db2.gz XGVIHONEYLMFLR-ZIAGYGMSSA-N 2 2 293.371 1.065 10 5 CDBELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344605013 365525927 /nfs/dbraw/zinc/52/59/27/365525927.db2.gz MKBUWXYCDHDTDK-WCQYABFASA-N 2 2 263.341 1.677 10 5 CDBELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344605013 365525933 /nfs/dbraw/zinc/52/59/33/365525933.db2.gz MKBUWXYCDHDTDK-WCQYABFASA-N 2 2 263.341 1.677 10 5 CDBELP C[NH2+]CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593725762 342829466 /nfs/dbraw/zinc/82/94/66/342829466.db2.gz VEAMCDUZYNBEOT-UHFFFAOYSA-N 2 2 279.340 1.732 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000600679471 342242139 /nfs/dbraw/zinc/24/21/39/342242139.db2.gz XDRQEVPNWHJEMM-CYBMUJFWSA-N 2 2 261.325 1.969 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1Cn1cc[nH+]c1C[C@H](C)[NH3+] ZINC000062802875 525462775 /nfs/dbraw/zinc/46/27/75/525462775.db2.gz YKMHRDVLQFDLTG-JTQLQIEISA-N 2 2 290.323 1.738 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925490194 783328483 /nfs/dbraw/zinc/32/84/83/783328483.db2.gz LYUVZFABRVNRJF-KGLIPLIRSA-N 2 2 291.351 1.963 10 5 CDBELP [NH3+]C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000600677884 342242096 /nfs/dbraw/zinc/24/20/96/342242096.db2.gz KPZYGAVSOAHIDZ-UHFFFAOYSA-N 2 2 271.342 1.254 10 5 CDBELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000340107408 359561800 /nfs/dbraw/zinc/56/18/00/359561800.db2.gz DITDZAFAOUOZKN-FZMZJTMJSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000340107408 359561802 /nfs/dbraw/zinc/56/18/02/359561802.db2.gz DITDZAFAOUOZKN-FZMZJTMJSA-N 2 2 263.341 1.677 10 5 CDBELP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1NN)C[C@H]1CC[NH+](C)C1 ZINC000071191166 176069764 /nfs/dbraw/zinc/06/97/64/176069764.db2.gz VWPIEYBCLSYUFM-NSHDSACASA-N 2 2 293.371 1.264 10 5 CDBELP C[N@H+](Cc1cc([N+](=O)[O-])ccc1NN)C[C@H]1CC[NH+](C)C1 ZINC000071191166 176069765 /nfs/dbraw/zinc/06/97/65/176069765.db2.gz VWPIEYBCLSYUFM-NSHDSACASA-N 2 2 293.371 1.264 10 5 CDBELP C[NH+](Cc1cc([N+](=O)[O-])ccc1NN)C[C@H]1CC[N@H+](C)C1 ZINC000071191166 176069767 /nfs/dbraw/zinc/06/97/67/176069767.db2.gz VWPIEYBCLSYUFM-NSHDSACASA-N 2 2 293.371 1.264 10 5 CDBELP C[NH+](Cc1cc([N+](=O)[O-])ccc1NN)C[C@H]1CC[N@@H+](C)C1 ZINC000071191166 176069768 /nfs/dbraw/zinc/06/97/68/176069768.db2.gz VWPIEYBCLSYUFM-NSHDSACASA-N 2 2 293.371 1.264 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000183597898 525566597 /nfs/dbraw/zinc/56/65/97/525566597.db2.gz NXSXEOQQKRKKOR-AWEZNQCLSA-N 2 2 281.356 1.305 10 5 CDBELP C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000601327543 342554152 /nfs/dbraw/zinc/55/41/52/342554152.db2.gz WKPXCXXCDQMDNZ-SCZZXKLOSA-N 2 2 255.343 1.683 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000601327543 342554153 /nfs/dbraw/zinc/55/41/53/342554153.db2.gz WKPXCXXCDQMDNZ-SCZZXKLOSA-N 2 2 255.343 1.683 10 5 CDBELP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593725716 342829382 /nfs/dbraw/zinc/82/93/82/342829382.db2.gz UDIBEWVGONSHDX-SNVBAGLBSA-N 2 2 279.340 1.860 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1Cn1cc[nH+]c1CC[NH3+] ZINC000062802699 525464078 /nfs/dbraw/zinc/46/40/78/525464078.db2.gz WETRHFWXAYLZIW-UHFFFAOYSA-N 2 2 276.296 1.349 10 5 CDBELP COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600679609 342242164 /nfs/dbraw/zinc/24/21/64/342242164.db2.gz ZZLPDXUUPORBBJ-AWEZNQCLSA-N 2 2 291.351 1.978 10 5 CDBELP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414957194 371171069 /nfs/dbraw/zinc/17/10/69/371171069.db2.gz NXCDPLDPNJWJDV-WPRPVWTQSA-N 2 2 255.343 1.744 10 5 CDBELP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596651212 343371155 /nfs/dbraw/zinc/37/11/55/343371155.db2.gz BXRRHBNSFSRCEN-IFQILLTASA-N 2 2 261.325 1.997 10 5 CDBELP [NH3+]C1(C[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000593727231 342829575 /nfs/dbraw/zinc/82/95/75/342829575.db2.gz GNAIZMMKCNIFIA-UHFFFAOYSA-N 2 2 251.286 1.271 10 5 CDBELP [NH3+]CCC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593729476 342830062 /nfs/dbraw/zinc/83/00/62/342830062.db2.gz FTVOUPCHMSZQAO-UHFFFAOYSA-N 2 2 279.340 1.861 10 5 CDBELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000610420418 346276345 /nfs/dbraw/zinc/27/63/45/346276345.db2.gz ZKQGEDQNXDVLBE-CHWSQXEVSA-N 2 2 293.367 1.702 10 5 CDBELP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654359 359660505 /nfs/dbraw/zinc/66/05/05/359660505.db2.gz XOGJZAROHDSEAO-WCQYABFASA-N 2 2 293.367 1.701 10 5 CDBELP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654359 359660508 /nfs/dbraw/zinc/66/05/08/359660508.db2.gz XOGJZAROHDSEAO-WCQYABFASA-N 2 2 293.367 1.701 10 5 CDBELP COC[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC[NH2+]1 ZINC000414942048 371136683 /nfs/dbraw/zinc/13/66/83/371136683.db2.gz JNXTZSRVLYXUPL-HNNXBMFYSA-N 2 2 293.367 1.761 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261594911 140360569 /nfs/dbraw/zinc/36/05/69/140360569.db2.gz NVDQPEFDLQNDMV-CHWSQXEVSA-N 2 2 261.325 1.636 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261594911 140360570 /nfs/dbraw/zinc/36/05/70/140360570.db2.gz NVDQPEFDLQNDMV-CHWSQXEVSA-N 2 2 261.325 1.636 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000703584091 818877296 /nfs/dbraw/zinc/87/72/96/818877296.db2.gz PPTOEMHZUXRROF-GXTWGEPZSA-N 2 2 261.325 1.636 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000703584091 818877298 /nfs/dbraw/zinc/87/72/98/818877298.db2.gz PPTOEMHZUXRROF-GXTWGEPZSA-N 2 2 261.325 1.636 10 5 CDBELP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727905 342829587 /nfs/dbraw/zinc/82/95/87/342829587.db2.gz IBLYSHFOGZKZLS-VXGBXAGGSA-N 2 2 265.313 1.660 10 5 CDBELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000593727991 342829603 /nfs/dbraw/zinc/82/96/03/342829603.db2.gz UKAFCCCVIHSOED-LEWSCRJBSA-N 2 2 291.351 1.860 10 5 CDBELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000593727991 342829604 /nfs/dbraw/zinc/82/96/04/342829604.db2.gz UKAFCCCVIHSOED-LEWSCRJBSA-N 2 2 291.351 1.860 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000449398988 374808542 /nfs/dbraw/zinc/80/85/42/374808542.db2.gz ZJCZJBXDPASJPX-HNNXBMFYSA-N 2 2 293.367 1.531 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449398988 374808552 /nfs/dbraw/zinc/80/85/52/374808552.db2.gz ZJCZJBXDPASJPX-HNNXBMFYSA-N 2 2 293.367 1.531 10 5 CDBELP O=[N+]([O-])c1ccccc1CC[NH2+]CC[NH+]1CCCC1 ZINC000062726603 527399428 /nfs/dbraw/zinc/39/94/28/527399428.db2.gz UUPZWPQAVZPING-UHFFFAOYSA-N 2 2 263.341 1.823 10 5 CDBELP C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000593724933 342829224 /nfs/dbraw/zinc/82/92/24/342829224.db2.gz BVLVDUIYKJWHJW-SKDRFNHKSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000593724933 342829226 /nfs/dbraw/zinc/82/92/26/342829226.db2.gz BVLVDUIYKJWHJW-SKDRFNHKSA-N 2 2 265.313 1.470 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422641078 245147899 /nfs/dbraw/zinc/14/78/99/245147899.db2.gz WVCPDMGZHACRIN-UHFFFAOYSA-N 2 2 291.351 1.931 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377770952 374619221 /nfs/dbraw/zinc/61/92/21/374619221.db2.gz CPGGBEOOYXJNCH-LLVKDONJSA-N 2 2 272.308 1.965 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377770952 374619224 /nfs/dbraw/zinc/61/92/24/374619224.db2.gz CPGGBEOOYXJNCH-LLVKDONJSA-N 2 2 272.308 1.965 10 5 CDBELP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415008144 391240236 /nfs/dbraw/zinc/24/02/36/391240236.db2.gz MOAXMUBTTZOJHO-BDAKNGLRSA-N 2 2 253.302 1.429 10 5 CDBELP C[NH+](C)C1(C)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000931351659 833377096 /nfs/dbraw/zinc/37/70/96/833377096.db2.gz REBUROOWRPJKLQ-UHFFFAOYSA-N 2 2 281.360 1.207 10 5 CDBELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537968223 282391994 /nfs/dbraw/zinc/39/19/94/282391994.db2.gz VIGKVDJYIUPTCO-BXUZGUMPSA-N 2 2 279.340 1.513 10 5 CDBELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537968223 282391997 /nfs/dbraw/zinc/39/19/97/282391997.db2.gz VIGKVDJYIUPTCO-BXUZGUMPSA-N 2 2 279.340 1.513 10 5 CDBELP COCC[NH2+]C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000580957330 363959743 /nfs/dbraw/zinc/95/97/43/363959743.db2.gz KTVFPYHOFXSCIQ-UHFFFAOYSA-N 2 2 293.367 1.795 10 5 CDBELP Cc1c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000703573258 922755429 /nfs/dbraw/zinc/75/54/29/922755429.db2.gz HCBUHGIKDOOTMS-DZGCQCFKSA-N 2 2 275.352 1.945 10 5 CDBELP Cc1c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000703573258 922755445 /nfs/dbraw/zinc/75/54/45/922755445.db2.gz HCBUHGIKDOOTMS-DZGCQCFKSA-N 2 2 275.352 1.945 10 5 CDBELP C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601326775 342554087 /nfs/dbraw/zinc/55/40/87/342554087.db2.gz PKURJTQQNWIIJT-NXEZZACHSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601326775 342554088 /nfs/dbraw/zinc/55/40/88/342554088.db2.gz PKURJTQQNWIIJT-NXEZZACHSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420353578 244130562 /nfs/dbraw/zinc/13/05/62/244130562.db2.gz NJTZVUGCFFDJRX-GWCFXTLKSA-N 2 2 292.339 1.345 10 5 CDBELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420353578 244130566 /nfs/dbraw/zinc/13/05/66/244130566.db2.gz NJTZVUGCFFDJRX-GWCFXTLKSA-N 2 2 292.339 1.345 10 5 CDBELP C[NH+](C)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000193824545 378315661 /nfs/dbraw/zinc/31/56/61/378315661.db2.gz YLSKREYSVCIXNP-UHFFFAOYSA-N 2 2 293.367 2.000 10 5 CDBELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])o2)C1 ZINC000044533139 175196958 /nfs/dbraw/zinc/19/69/58/175196958.db2.gz SNNUADPBEKDSAO-SNVBAGLBSA-N 2 2 253.302 1.619 10 5 CDBELP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])o2)C1 ZINC000044533139 175196960 /nfs/dbraw/zinc/19/69/60/175196960.db2.gz SNNUADPBEKDSAO-SNVBAGLBSA-N 2 2 253.302 1.619 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955128 626166286 /nfs/dbraw/zinc/16/62/86/626166286.db2.gz KZCWMKQBCCYLNF-LLVKDONJSA-N 2 2 285.294 1.929 10 5 CDBELP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955824 626167006 /nfs/dbraw/zinc/16/70/06/626167006.db2.gz ZQSSEIMCMUSVJP-LLVKDONJSA-N 2 2 285.294 1.929 10 5 CDBELP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000611515390 346807024 /nfs/dbraw/zinc/80/70/24/346807024.db2.gz YUGIYZGPRRWKKN-TXEJJXNPSA-N 2 2 277.324 1.255 10 5 CDBELP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000611515390 346807027 /nfs/dbraw/zinc/80/70/27/346807027.db2.gz YUGIYZGPRRWKKN-TXEJJXNPSA-N 2 2 277.324 1.255 10 5 CDBELP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593724873 342829243 /nfs/dbraw/zinc/82/92/43/342829243.db2.gz AKBDDVIUQWXCTN-CYBMUJFWSA-N 2 2 267.329 1.763 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000597204715 343473934 /nfs/dbraw/zinc/47/39/34/343473934.db2.gz DZOYTFYETSSDIQ-UHFFFAOYSA-N 2 2 263.341 1.897 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000597204715 343473937 /nfs/dbraw/zinc/47/39/37/343473937.db2.gz DZOYTFYETSSDIQ-UHFFFAOYSA-N 2 2 263.341 1.897 10 5 CDBELP Cc1c(Cn2cc[nH+]c2CC[NH3+])cccc1[N+](=O)[O-] ZINC000062802700 525791347 /nfs/dbraw/zinc/79/13/47/525791347.db2.gz ALHWZHVQMXQOIT-UHFFFAOYSA-N 2 2 260.297 1.649 10 5 CDBELP C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000601327542 342554247 /nfs/dbraw/zinc/55/42/47/342554247.db2.gz WKPXCXXCDQMDNZ-PSASIEDQSA-N 2 2 255.343 1.683 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000601327542 342554248 /nfs/dbraw/zinc/55/42/48/342554248.db2.gz WKPXCXXCDQMDNZ-PSASIEDQSA-N 2 2 255.343 1.683 10 5 CDBELP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724971 342829205 /nfs/dbraw/zinc/82/92/05/342829205.db2.gz CWNCHMXGHGLFDK-WDEREUQCSA-N 2 2 279.340 1.860 10 5 CDBELP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724971 342829207 /nfs/dbraw/zinc/82/92/07/342829207.db2.gz CWNCHMXGHGLFDK-WDEREUQCSA-N 2 2 279.340 1.860 10 5 CDBELP CCO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000405628482 349796129 /nfs/dbraw/zinc/79/61/29/349796129.db2.gz YHAJOSGBVCBCAI-BXUZGUMPSA-N 2 2 297.330 1.530 10 5 CDBELP CCO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000405628482 349796133 /nfs/dbraw/zinc/79/61/33/349796133.db2.gz YHAJOSGBVCBCAI-BXUZGUMPSA-N 2 2 297.330 1.530 10 5 CDBELP O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422638739 245148424 /nfs/dbraw/zinc/14/84/24/245148424.db2.gz RHDZYJFXWUWCNL-UHFFFAOYSA-N 2 2 291.351 1.802 10 5 CDBELP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358014241 375944558 /nfs/dbraw/zinc/94/45/58/375944558.db2.gz BWBWSSRCCTXVJY-CMPLNLGQSA-N 2 2 279.340 1.643 10 5 CDBELP C[NH+](C)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195352521 393179531 /nfs/dbraw/zinc/17/95/31/393179531.db2.gz FINQPOOBXRWYSQ-UHFFFAOYSA-N 2 2 293.367 2.000 10 5 CDBELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])o1 ZINC000035569967 172265222 /nfs/dbraw/zinc/26/52/22/172265222.db2.gz GBKXRTRFUDBFDE-MRVPVSSYSA-N 2 2 250.258 1.804 10 5 CDBELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000040638903 174362961 /nfs/dbraw/zinc/36/29/61/174362961.db2.gz CODBSNZPTWEGDL-UHFFFAOYSA-N 2 2 260.297 1.661 10 5 CDBELP C[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000062726535 524483889 /nfs/dbraw/zinc/48/38/89/524483889.db2.gz JYAPFPSHBZSOOL-LLVKDONJSA-N 2 2 251.330 1.677 10 5 CDBELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])o1 ZINC000035569965 172265307 /nfs/dbraw/zinc/26/53/07/172265307.db2.gz GBKXRTRFUDBFDE-QMMMGPOBSA-N 2 2 250.258 1.804 10 5 CDBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313363252 260287508 /nfs/dbraw/zinc/28/75/08/260287508.db2.gz VZEWVDPHWXRLGP-RISCZKNCSA-N 2 2 279.340 1.705 10 5 CDBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313363252 260287509 /nfs/dbraw/zinc/28/75/09/260287509.db2.gz VZEWVDPHWXRLGP-RISCZKNCSA-N 2 2 279.340 1.705 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925490196 712215718 /nfs/dbraw/zinc/21/57/18/712215718.db2.gz LYUVZFABRVNRJF-UONOGXRCSA-N 2 2 291.351 1.963 10 5 CDBELP [NH3+]C1CC[NH+](CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000721983973 712281759 /nfs/dbraw/zinc/28/17/59/712281759.db2.gz CSACOXJGCXCFAG-UHFFFAOYSA-N 2 2 282.319 1.569 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000595890103 343181773 /nfs/dbraw/zinc/18/17/73/343181773.db2.gz BQNQNBNQHAFJLK-OAHLLOKOSA-N 2 2 291.351 1.548 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000595890103 343181776 /nfs/dbraw/zinc/18/17/76/343181776.db2.gz BQNQNBNQHAFJLK-OAHLLOKOSA-N 2 2 291.351 1.548 10 5 CDBELP C[NH+](C)CCC[N@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000596425608 343311874 /nfs/dbraw/zinc/31/18/74/343311874.db2.gz SAUZXAGHKRZNMG-UHFFFAOYSA-N 2 2 286.401 1.952 10 5 CDBELP C[NH+](C)CCC[N@@H+](C)CCNc1sccc1[N+](=O)[O-] ZINC000596425608 343311875 /nfs/dbraw/zinc/31/18/75/343311875.db2.gz SAUZXAGHKRZNMG-UHFFFAOYSA-N 2 2 286.401 1.952 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415106099 391259019 /nfs/dbraw/zinc/25/90/19/391259019.db2.gz JEBWAYMJHUJHBY-CQSZACIVSA-N 2 2 279.340 1.453 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415106099 391259023 /nfs/dbraw/zinc/25/90/23/391259023.db2.gz JEBWAYMJHUJHBY-CQSZACIVSA-N 2 2 279.340 1.453 10 5 CDBELP Cn1cc[nH+]c1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000040639397 174363939 /nfs/dbraw/zinc/36/39/39/174363939.db2.gz DPLXXFAUYOQKJW-UHFFFAOYSA-N 2 2 266.326 1.722 10 5 CDBELP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000596652041 343371336 /nfs/dbraw/zinc/37/13/36/343371336.db2.gz FKTDHGYEPLVTJF-IFQILLTASA-N 2 2 261.325 1.997 10 5 CDBELP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968793 678675389 /nfs/dbraw/zinc/67/53/89/678675389.db2.gz MRLGSZZZFZQFMO-KWBADKCTSA-N 2 2 278.356 1.826 10 5 CDBELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000389453651 362466341 /nfs/dbraw/zinc/46/63/41/362466341.db2.gz QVGGAOYALILABG-LBPRGKRZSA-N 2 2 279.340 1.787 10 5 CDBELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000389453651 362466344 /nfs/dbraw/zinc/46/63/44/362466344.db2.gz QVGGAOYALILABG-LBPRGKRZSA-N 2 2 279.340 1.787 10 5 CDBELP C[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C1CC[NH+](C)CC1 ZINC000050792772 523183633 /nfs/dbraw/zinc/18/36/33/523183633.db2.gz CUBQITKVUUSRGI-UHFFFAOYSA-N 2 2 278.356 1.703 10 5 CDBELP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)C1CC[NH+](C)CC1 ZINC000050792772 523183642 /nfs/dbraw/zinc/18/36/42/523183642.db2.gz CUBQITKVUUSRGI-UHFFFAOYSA-N 2 2 278.356 1.703 10 5 CDBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000601328691 342554457 /nfs/dbraw/zinc/55/44/57/342554457.db2.gz WHIYKFXUXVHXKA-GFCCVEGCSA-N 2 2 293.367 1.702 10 5 CDBELP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727657 342829529 /nfs/dbraw/zinc/82/95/29/342829529.db2.gz PKYXWJBDTSYXPX-NXEZZACHSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727657 342829531 /nfs/dbraw/zinc/82/95/31/342829531.db2.gz PKYXWJBDTSYXPX-NXEZZACHSA-N 2 2 265.313 1.470 10 5 CDBELP [NH3+]Cc1ccc([N+](=O)[O-])c(OCCn2cc[nH+]c2)c1 ZINC000050516188 527256968 /nfs/dbraw/zinc/25/69/68/527256968.db2.gz LWFIFWBTOJIIIQ-UHFFFAOYSA-N 2 2 262.269 1.329 10 5 CDBELP [NH3+]C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724976 342829415 /nfs/dbraw/zinc/82/94/15/342829415.db2.gz DCLKNJDUEUJZMM-SECBINFHSA-N 2 2 251.286 1.081 10 5 CDBELP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724976 342829417 /nfs/dbraw/zinc/82/94/17/342829417.db2.gz DCLKNJDUEUJZMM-SECBINFHSA-N 2 2 251.286 1.081 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000600679233 342242249 /nfs/dbraw/zinc/24/22/49/342242249.db2.gz SZRPWNJIIDCPBD-ZDUSSCGKSA-N 2 2 261.325 1.969 10 5 CDBELP Cc1c(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358311478 360949731 /nfs/dbraw/zinc/94/97/31/360949731.db2.gz PGUUYKVSZGWIKN-ZWNOBZJWSA-N 2 2 263.341 1.943 10 5 CDBELP Cc1c(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358311478 360949734 /nfs/dbraw/zinc/94/97/34/360949734.db2.gz PGUUYKVSZGWIKN-ZWNOBZJWSA-N 2 2 263.341 1.943 10 5 CDBELP CCC[NH2+]CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414866432 370918146 /nfs/dbraw/zinc/91/81/46/370918146.db2.gz GWKJDFKIPMSMPL-UHFFFAOYSA-N 2 2 251.330 1.992 10 5 CDBELP COc1ccc(-n2cc[nH+]c2CC[NH3+])c([N+](=O)[O-])c1 ZINC000052304402 523338702 /nfs/dbraw/zinc/33/87/02/523338702.db2.gz YIKMSPBRHQCZTK-UHFFFAOYSA-N 2 2 262.269 1.290 10 5 CDBELP CC[NH+](CC)CC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000738071112 576036416 /nfs/dbraw/zinc/03/64/16/576036416.db2.gz OGQPELBDCIFGFM-UHFFFAOYSA-N 2 2 295.387 1.803 10 5 CDBELP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000863481378 725191061 /nfs/dbraw/zinc/19/10/61/725191061.db2.gz FVILUXHTDOQELA-UHFFFAOYSA-N 2 2 299.758 1.846 10 5 CDBELP C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000593724930 342829456 /nfs/dbraw/zinc/82/94/56/342829456.db2.gz BVLVDUIYKJWHJW-BXKDBHETSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000593724930 342829457 /nfs/dbraw/zinc/82/94/57/342829457.db2.gz BVLVDUIYKJWHJW-BXKDBHETSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000344206540 362555972 /nfs/dbraw/zinc/55/59/72/362555972.db2.gz FSDPQNVCHGRIMC-SMDDNHRTSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000344206540 362555975 /nfs/dbraw/zinc/55/59/75/362555975.db2.gz FSDPQNVCHGRIMC-SMDDNHRTSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccccc1[N+](=O)[O-] ZINC000062802828 525002566 /nfs/dbraw/zinc/00/25/66/525002566.db2.gz XOIUFGNRCOAUMU-SNVBAGLBSA-N 2 2 260.297 1.729 10 5 CDBELP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000923480236 726015541 /nfs/dbraw/zinc/01/55/41/726015541.db2.gz GPQSZKWCDRSBGV-JTQLQIEISA-N 2 2 265.313 1.471 10 5 CDBELP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000923480236 726015542 /nfs/dbraw/zinc/01/55/42/726015542.db2.gz GPQSZKWCDRSBGV-JTQLQIEISA-N 2 2 265.313 1.471 10 5 CDBELP O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000599029924 343942201 /nfs/dbraw/zinc/94/22/01/343942201.db2.gz CMQZGRMZYIPMHA-VXGBXAGGSA-N 2 2 284.319 1.799 10 5 CDBELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000610420419 346276560 /nfs/dbraw/zinc/27/65/60/346276560.db2.gz ZKQGEDQNXDVLBE-OLZOCXBDSA-N 2 2 293.367 1.702 10 5 CDBELP Cc1cc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000313017684 316013281 /nfs/dbraw/zinc/01/32/81/316013281.db2.gz CRWYIKFHDZUCCX-JTQLQIEISA-N 2 2 282.319 1.121 10 5 CDBELP Cc1cc(N2CC[N@H+](C)C[C@@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000313017684 316013283 /nfs/dbraw/zinc/01/32/83/316013283.db2.gz CRWYIKFHDZUCCX-JTQLQIEISA-N 2 2 282.319 1.121 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1cc(F)ccc1[N+](=O)[O-] ZINC000052304633 527199554 /nfs/dbraw/zinc/19/95/54/527199554.db2.gz GEYFYFTUBDBKBW-UHFFFAOYSA-N 2 2 250.233 1.421 10 5 CDBELP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000923480238 729305524 /nfs/dbraw/zinc/30/55/24/729305524.db2.gz GPQSZKWCDRSBGV-SNVBAGLBSA-N 2 2 265.313 1.471 10 5 CDBELP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000923480238 729305527 /nfs/dbraw/zinc/30/55/27/729305527.db2.gz GPQSZKWCDRSBGV-SNVBAGLBSA-N 2 2 265.313 1.471 10 5 CDBELP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193655340 375889175 /nfs/dbraw/zinc/88/91/75/375889175.db2.gz QLKGPNNAWUONJO-BETUJISGSA-N 2 2 291.351 1.467 10 5 CDBELP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193655340 375889181 /nfs/dbraw/zinc/88/91/81/375889181.db2.gz QLKGPNNAWUONJO-BETUJISGSA-N 2 2 291.351 1.467 10 5 CDBELP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193655340 375889186 /nfs/dbraw/zinc/88/91/86/375889186.db2.gz QLKGPNNAWUONJO-BETUJISGSA-N 2 2 291.351 1.467 10 5 CDBELP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193655340 375889194 /nfs/dbraw/zinc/88/91/94/375889194.db2.gz QLKGPNNAWUONJO-BETUJISGSA-N 2 2 291.351 1.467 10 5 CDBELP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000156176460 522395164 /nfs/dbraw/zinc/39/51/64/522395164.db2.gz LSEPVMLVTBJCHU-CYBMUJFWSA-N 2 2 293.367 1.987 10 5 CDBELP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000156176460 522395176 /nfs/dbraw/zinc/39/51/76/522395176.db2.gz LSEPVMLVTBJCHU-CYBMUJFWSA-N 2 2 293.367 1.987 10 5 CDBELP Cn1c[nH+]c(CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000313279196 270324604 /nfs/dbraw/zinc/32/46/04/270324604.db2.gz CAPQBKVKPOFTPY-UHFFFAOYSA-N 2 2 260.297 1.661 10 5 CDBELP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000156176326 522388169 /nfs/dbraw/zinc/38/81/69/522388169.db2.gz LSEPVMLVTBJCHU-ZDUSSCGKSA-N 2 2 293.367 1.987 10 5 CDBELP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000156176326 522388180 /nfs/dbraw/zinc/38/81/80/522388180.db2.gz LSEPVMLVTBJCHU-ZDUSSCGKSA-N 2 2 293.367 1.987 10 5 CDBELP Cn1cc[nH+]c1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000040638904 174363397 /nfs/dbraw/zinc/36/33/97/174363397.db2.gz VIKKCIOKZDSEJW-UHFFFAOYSA-N 2 2 260.297 1.661 10 5 CDBELP Cn1cc[nH+]c1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000045134428 175312503 /nfs/dbraw/zinc/31/25/03/175312503.db2.gz IJHPZQBPEFFOLC-UHFFFAOYSA-N 2 2 274.324 1.703 10 5 CDBELP C[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000062726534 524737634 /nfs/dbraw/zinc/73/76/34/524737634.db2.gz JYAPFPSHBZSOOL-NSHDSACASA-N 2 2 251.330 1.677 10 5 CDBELP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000062726230 527399455 /nfs/dbraw/zinc/39/94/55/527399455.db2.gz RWTLBRFOQOSPMM-CQSZACIVSA-N 2 2 275.352 1.821 10 5 CDBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]12 ZINC000261868879 739172066 /nfs/dbraw/zinc/17/20/66/739172066.db2.gz YRYGFXSODIUOMG-TVYUQYBPSA-N 2 2 279.315 1.903 10 5 CDBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]12 ZINC000261868879 739172074 /nfs/dbraw/zinc/17/20/74/739172074.db2.gz YRYGFXSODIUOMG-TVYUQYBPSA-N 2 2 279.315 1.903 10 5 CDBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000176080609 738221043 /nfs/dbraw/zinc/22/10/43/738221043.db2.gz PYJAJIQCNWBQIF-LBPRGKRZSA-N 2 2 290.327 1.418 10 5 CDBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000176080609 738221046 /nfs/dbraw/zinc/22/10/46/738221046.db2.gz PYJAJIQCNWBQIF-LBPRGKRZSA-N 2 2 290.327 1.418 10 5 CDBELP CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000593727248 342829556 /nfs/dbraw/zinc/82/95/56/342829556.db2.gz HATYEPJPHTWOSV-GXFFZTMASA-N 2 2 279.340 1.860 10 5 CDBELP CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000593727248 342829557 /nfs/dbraw/zinc/82/95/57/342829557.db2.gz HATYEPJPHTWOSV-GXFFZTMASA-N 2 2 279.340 1.860 10 5 CDBELP COc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000594500549 342914089 /nfs/dbraw/zinc/91/40/89/342914089.db2.gz OLGPXXAWSJNMKP-UHFFFAOYSA-N 2 2 279.340 1.789 10 5 CDBELP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000044530508 175195078 /nfs/dbraw/zinc/19/50/78/175195078.db2.gz SAQMNBLFSGQMSS-NSHDSACASA-N 2 2 292.339 1.204 10 5 CDBELP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000044530508 175195079 /nfs/dbraw/zinc/19/50/79/175195079.db2.gz SAQMNBLFSGQMSS-NSHDSACASA-N 2 2 292.339 1.204 10 5 CDBELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000600681777 342242319 /nfs/dbraw/zinc/24/23/19/342242319.db2.gz JRLQIIBBGKZKMN-OWQIOCHFSA-N 2 2 261.325 1.948 10 5 CDBELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000344206537 362555294 /nfs/dbraw/zinc/55/52/94/362555294.db2.gz FSDPQNVCHGRIMC-BXUZGUMPSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000344206537 362555296 /nfs/dbraw/zinc/55/52/96/362555296.db2.gz FSDPQNVCHGRIMC-BXUZGUMPSA-N 2 2 263.341 1.677 10 5 CDBELP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000923399493 746233220 /nfs/dbraw/zinc/23/32/20/746233220.db2.gz QIVLAJTVPAICCO-KGLIPLIRSA-N 2 2 291.351 1.502 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000037229440 173048611 /nfs/dbraw/zinc/04/86/11/173048611.db2.gz YRVDPKKETPQVBL-UHFFFAOYSA-N 2 2 253.302 1.763 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1cccc(F)c1[N+](=O)[O-] ZINC000052304609 527198325 /nfs/dbraw/zinc/19/83/25/527198325.db2.gz PBVIQNIOVLRXTA-UHFFFAOYSA-N 2 2 250.233 1.421 10 5 CDBELP C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923494476 923881206 /nfs/dbraw/zinc/88/12/06/923881206.db2.gz NFWGQMCNJDZVLN-QWRGUYRKSA-N 2 2 279.340 1.717 10 5 CDBELP C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923494476 923881215 /nfs/dbraw/zinc/88/12/15/923881215.db2.gz NFWGQMCNJDZVLN-QWRGUYRKSA-N 2 2 279.340 1.717 10 5 CDBELP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414953666 371160481 /nfs/dbraw/zinc/16/04/81/371160481.db2.gz JYHNOWIYTFHZCH-TVQRCGJNSA-N 2 2 267.304 1.822 10 5 CDBELP CC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000038098126 174113538 /nfs/dbraw/zinc/11/35/38/174113538.db2.gz FQRCXAFMXJCPEM-UHFFFAOYSA-N 2 2 253.302 1.762 10 5 CDBELP C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923494474 754830604 /nfs/dbraw/zinc/83/06/04/754830604.db2.gz NFWGQMCNJDZVLN-MNOVXSKESA-N 2 2 279.340 1.717 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923494474 754830605 /nfs/dbraw/zinc/83/06/05/754830605.db2.gz NFWGQMCNJDZVLN-MNOVXSKESA-N 2 2 279.340 1.717 10 5 CDBELP [NH3+]CCc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000062802710 527199571 /nfs/dbraw/zinc/19/95/71/527199571.db2.gz RUPLIOYTLBJPJM-UHFFFAOYSA-N 2 2 280.715 1.994 10 5 CDBELP CCO[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593730852 342830329 /nfs/dbraw/zinc/83/03/29/342830329.db2.gz ILVCUILOSUBKBM-BXUZGUMPSA-N 2 2 295.339 1.096 10 5 CDBELP CCO[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593730852 342830331 /nfs/dbraw/zinc/83/03/31/342830331.db2.gz ILVCUILOSUBKBM-BXUZGUMPSA-N 2 2 295.339 1.096 10 5 CDBELP C[NH+](C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000514922141 360611515 /nfs/dbraw/zinc/61/15/15/360611515.db2.gz IUMJXOKJOBVQPQ-UHFFFAOYSA-N 2 2 251.330 1.978 10 5 CDBELP C[NH+](C)CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000514922141 360611520 /nfs/dbraw/zinc/61/15/20/360611520.db2.gz IUMJXOKJOBVQPQ-UHFFFAOYSA-N 2 2 251.330 1.978 10 5 CDBELP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414953667 371160502 /nfs/dbraw/zinc/16/05/02/371160502.db2.gz JYHNOWIYTFHZCH-ZANVPECISA-N 2 2 267.304 1.822 10 5 CDBELP O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422945815 374364253 /nfs/dbraw/zinc/36/42/53/374364253.db2.gz NZNKMDMHKNBNSE-CABCVRRESA-N 2 2 291.351 1.451 10 5 CDBELP O=[N+]([O-])c1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422945818 374364503 /nfs/dbraw/zinc/36/45/03/374364503.db2.gz NZNKMDMHKNBNSE-LSDHHAIUSA-N 2 2 291.351 1.451 10 5 CDBELP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000558607622 356035754 /nfs/dbraw/zinc/03/57/54/356035754.db2.gz RPFYZGDRUZIIEC-UHFFFAOYSA-N 2 2 281.356 1.987 10 5 CDBELP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000558607622 356035762 /nfs/dbraw/zinc/03/57/62/356035762.db2.gz RPFYZGDRUZIIEC-UHFFFAOYSA-N 2 2 281.356 1.987 10 5 CDBELP [NH3+]CCc1[nH+]ccn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000062802705 527199064 /nfs/dbraw/zinc/19/90/64/527199064.db2.gz IBDAHMCSVGOXEB-UHFFFAOYSA-N 2 2 280.715 1.994 10 5 CDBELP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000062726231 527398899 /nfs/dbraw/zinc/39/88/99/527398899.db2.gz RWTLBRFOQOSPMM-AWEZNQCLSA-N 2 2 275.352 1.821 10 5 CDBELP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000903963947 626171101 /nfs/dbraw/zinc/17/11/01/626171101.db2.gz AMUCVIPSWFNRIZ-SCZZXKLOSA-N 2 2 255.343 1.601 10 5 CDBELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000414953665 371160171 /nfs/dbraw/zinc/16/01/71/371160171.db2.gz JYHNOWIYTFHZCH-RNCFNFMXSA-N 2 2 267.304 1.822 10 5 CDBELP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000601327195 342554233 /nfs/dbraw/zinc/55/42/33/342554233.db2.gz SIAPMYGUVLIUMH-GXSJLCMTSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000601327195 342554234 /nfs/dbraw/zinc/55/42/34/342554234.db2.gz SIAPMYGUVLIUMH-GXSJLCMTSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728043 342829796 /nfs/dbraw/zinc/82/97/96/342829796.db2.gz XICCUVYIHMVTCA-UWVGGRQHSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728043 342829797 /nfs/dbraw/zinc/82/97/97/342829797.db2.gz XICCUVYIHMVTCA-UWVGGRQHSA-N 2 2 265.313 1.470 10 5 CDBELP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414941540 371136841 /nfs/dbraw/zinc/13/68/41/371136841.db2.gz YQIMNULWKCYAEV-ZWNOBZJWSA-N 2 2 263.341 1.991 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459636779 392496535 /nfs/dbraw/zinc/49/65/35/392496535.db2.gz AOHNUNIDBXTABM-UHFFFAOYSA-N 2 2 274.324 1.969 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1ccc([N+](=O)[O-])c2cccnc21 ZINC000052304540 527199305 /nfs/dbraw/zinc/19/93/05/527199305.db2.gz YHJDILZLCLOBSX-UHFFFAOYSA-N 2 2 283.291 1.830 10 5 CDBELP O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903467350 626002903 /nfs/dbraw/zinc/00/29/03/626002903.db2.gz AITBAHAPSLVCGZ-AWEZNQCLSA-N 2 2 291.351 1.848 10 5 CDBELP C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000601327545 342554224 /nfs/dbraw/zinc/55/42/24/342554224.db2.gz WKPXCXXCDQMDNZ-WPRPVWTQSA-N 2 2 255.343 1.683 10 5 CDBELP C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000601327545 342554225 /nfs/dbraw/zinc/55/42/25/342554225.db2.gz WKPXCXXCDQMDNZ-WPRPVWTQSA-N 2 2 255.343 1.683 10 5 CDBELP C[NH+](C)CCC[N@H+](C)CCNc1ncccc1[N+](=O)[O-] ZINC000596425922 343311847 /nfs/dbraw/zinc/31/18/47/343311847.db2.gz YNZNFJAJQQWKOA-UHFFFAOYSA-N 2 2 281.360 1.285 10 5 CDBELP C[NH+](C)CCC[N@@H+](C)CCNc1ncccc1[N+](=O)[O-] ZINC000596425922 343311849 /nfs/dbraw/zinc/31/18/49/343311849.db2.gz YNZNFJAJQQWKOA-UHFFFAOYSA-N 2 2 281.360 1.285 10 5 CDBELP COC[C@@](C)([NH3+])CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599044634 343949299 /nfs/dbraw/zinc/94/92/99/343949299.db2.gz RHDMMSSQLYBECQ-AWEZNQCLSA-N 2 2 290.323 1.919 10 5 CDBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453479 350365344 /nfs/dbraw/zinc/36/53/44/350365344.db2.gz LJXWNNWJSHDXAC-WXHSDQCUSA-N 2 2 261.325 1.807 10 5 CDBELP Cn1c[nH+]cc1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000571500502 359579069 /nfs/dbraw/zinc/57/90/69/359579069.db2.gz IORCULQDUZOWJJ-UHFFFAOYSA-N 2 2 286.335 1.929 10 5 CDBELP Cn1c[nH+]cc1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000571500502 359579072 /nfs/dbraw/zinc/57/90/72/359579072.db2.gz IORCULQDUZOWJJ-UHFFFAOYSA-N 2 2 286.335 1.929 10 5 CDBELP COc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415070225 391253987 /nfs/dbraw/zinc/25/39/87/391253987.db2.gz QDFKTEUWMARDCU-LBPRGKRZSA-N 2 2 279.340 1.835 10 5 CDBELP COc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358014262 391941309 /nfs/dbraw/zinc/94/13/09/391941309.db2.gz BWBWSSRCCTXVJY-PWSUYJOCSA-N 2 2 279.340 1.643 10 5 CDBELP COc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358014262 391941312 /nfs/dbraw/zinc/94/13/12/391941312.db2.gz BWBWSSRCCTXVJY-PWSUYJOCSA-N 2 2 279.340 1.643 10 5 CDBELP Cc1ccc(C[NH2+]CCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000040639149 174363630 /nfs/dbraw/zinc/36/36/30/174363630.db2.gz JVWUSBRXRVQKOW-UHFFFAOYSA-N 2 2 274.324 1.969 10 5 CDBELP C[C@H]([NH3+])Cc1[nH+]ccn1CCc1ccccc1[N+](=O)[O-] ZINC000062802933 524836815 /nfs/dbraw/zinc/83/68/15/524836815.db2.gz JQMWMHXWDNDVPK-NSHDSACASA-N 2 2 274.324 1.924 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1Cn1cc[nH+]c1C[C@@H](C)[NH3+] ZINC000062802876 525463590 /nfs/dbraw/zinc/46/35/90/525463590.db2.gz YKMHRDVLQFDLTG-SNVBAGLBSA-N 2 2 290.323 1.738 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1Cl ZINC000052304396 527198653 /nfs/dbraw/zinc/19/86/53/527198653.db2.gz IDZYNVMQAJOGAW-UHFFFAOYSA-N 2 2 266.688 1.935 10 5 CDBELP [NH3+]C[C@H]1CCCC[N@@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062727106 527231577 /nfs/dbraw/zinc/23/15/77/527231577.db2.gz IQRZMSNOGDCGKT-CYBMUJFWSA-N 2 2 263.341 1.951 10 5 CDBELP [NH3+]C[C@H]1CCCC[N@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062727106 527231582 /nfs/dbraw/zinc/23/15/82/527231582.db2.gz IQRZMSNOGDCGKT-CYBMUJFWSA-N 2 2 263.341 1.951 10 5 CDBELP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000596652039 343371372 /nfs/dbraw/zinc/37/13/72/343371372.db2.gz FKTDHGYEPLVTJF-CDWSIMAYSA-N 2 2 261.325 1.997 10 5 CDBELP C[NH+](C)C1CC[NH+](CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000362129650 159079747 /nfs/dbraw/zinc/07/97/47/159079747.db2.gz NDDRTCWYIATGKP-UHFFFAOYSA-N 2 2 293.371 1.428 10 5 CDBELP CC[N@@H+](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000184539179 521115480 /nfs/dbraw/zinc/11/54/80/521115480.db2.gz OXPKPDBSAKVMQM-UHFFFAOYSA-N 2 2 281.356 1.307 10 5 CDBELP CC[N@H+](CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000184539179 521115478 /nfs/dbraw/zinc/11/54/78/521115478.db2.gz OXPKPDBSAKVMQM-UHFFFAOYSA-N 2 2 281.356 1.307 10 5 CDBELP C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000050792771 523262755 /nfs/dbraw/zinc/26/27/55/523262755.db2.gz BCPNOZQPLKAEJJ-UHFFFAOYSA-N 2 2 278.356 1.703 10 5 CDBELP C[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000050792771 523262759 /nfs/dbraw/zinc/26/27/59/523262759.db2.gz BCPNOZQPLKAEJJ-UHFFFAOYSA-N 2 2 278.356 1.703 10 5 CDBELP Cc1cccc([N+](=O)[O-])c1NCC[NH+]1CCC([NH3+])CC1 ZINC000721976781 819806424 /nfs/dbraw/zinc/80/64/24/819806424.db2.gz CMYBOBOXIQLRAO-UHFFFAOYSA-N 2 2 278.356 1.738 10 5 CDBELP Cc1noc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000595391327 343053918 /nfs/dbraw/zinc/05/39/18/343053918.db2.gz BXJFSUAVBJNAFL-UHFFFAOYSA-N 2 2 291.311 1.994 10 5 CDBELP C[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000122797301 347858712 /nfs/dbraw/zinc/85/87/12/347858712.db2.gz FFLZSVVERYHLDE-SNVBAGLBSA-N 2 2 284.747 1.327 10 5 CDBELP C[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000122797301 347858714 /nfs/dbraw/zinc/85/87/14/347858714.db2.gz FFLZSVVERYHLDE-SNVBAGLBSA-N 2 2 284.747 1.327 10 5 CDBELP O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000347782220 359637686 /nfs/dbraw/zinc/63/76/86/359637686.db2.gz IMUSNHQVFOEGNJ-UHFFFAOYSA-N 2 2 287.323 1.635 10 5 CDBELP COCC[NH2+]CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414866718 370918038 /nfs/dbraw/zinc/91/80/38/370918038.db2.gz ASOCQWBHLTVALY-UHFFFAOYSA-N 2 2 267.329 1.229 10 5 CDBELP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@H]1CC[NH+](C)C1 ZINC000071191104 176068448 /nfs/dbraw/zinc/06/84/48/176068448.db2.gz BPKTWUWBETVIJJ-NSHDSACASA-N 2 2 278.356 1.561 10 5 CDBELP C[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@H]1CC[NH+](C)C1 ZINC000071191104 176068450 /nfs/dbraw/zinc/06/84/50/176068450.db2.gz BPKTWUWBETVIJJ-NSHDSACASA-N 2 2 278.356 1.561 10 5 CDBELP C[NH+](Cc1cc([N+](=O)[O-])ccc1N)C[C@H]1CC[N@H+](C)C1 ZINC000071191104 176068451 /nfs/dbraw/zinc/06/84/51/176068451.db2.gz BPKTWUWBETVIJJ-NSHDSACASA-N 2 2 278.356 1.561 10 5 CDBELP C[NH+](Cc1cc([N+](=O)[O-])ccc1N)C[C@H]1CC[N@@H+](C)C1 ZINC000071191104 176068453 /nfs/dbraw/zinc/06/84/53/176068453.db2.gz BPKTWUWBETVIJJ-NSHDSACASA-N 2 2 278.356 1.561 10 5 CDBELP CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071330747 176124433 /nfs/dbraw/zinc/12/44/33/176124433.db2.gz GCEAAFKOHGYDNT-GFCCVEGCSA-N 2 2 281.360 1.174 10 5 CDBELP CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071330747 176124435 /nfs/dbraw/zinc/12/44/35/176124435.db2.gz GCEAAFKOHGYDNT-GFCCVEGCSA-N 2 2 281.360 1.174 10 5 CDBELP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728045 342829736 /nfs/dbraw/zinc/82/97/36/342829736.db2.gz XICCUVYIHMVTCA-ZJUUUORDSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728045 342829737 /nfs/dbraw/zinc/82/97/37/342829737.db2.gz XICCUVYIHMVTCA-ZJUUUORDSA-N 2 2 265.313 1.470 10 5 CDBELP Cc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000597203924 343473490 /nfs/dbraw/zinc/47/34/90/343473490.db2.gz YYEQQVUNDROEJI-UHFFFAOYSA-N 2 2 263.341 1.897 10 5 CDBELP C[NH+]1C[C@@]2(C)C[NH+](CCn3ccc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000931312105 833972566 /nfs/dbraw/zinc/97/25/66/833972566.db2.gz UXWUATRGMWJELZ-KBPBESRZSA-N 2 2 293.371 1.065 10 5 CDBELP C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000708869885 834648876 /nfs/dbraw/zinc/64/88/76/834648876.db2.gz JSQAMSQJDUUENM-GXSJLCMTSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000708869885 834648858 /nfs/dbraw/zinc/64/88/58/834648858.db2.gz JSQAMSQJDUUENM-GXSJLCMTSA-N 2 2 267.304 1.761 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955270 626166951 /nfs/dbraw/zinc/16/69/51/626166951.db2.gz ODSRJHRWYSIPSP-LLVKDONJSA-N 2 2 285.294 1.929 10 5 CDBELP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1[N+](=O)[O-] ZINC000925735542 837838494 /nfs/dbraw/zinc/83/84/94/837838494.db2.gz VVCVEKOFIDNUHG-RDUHTLEXSA-N 2 2 287.363 1.989 10 5 CDBELP [NH3+]CC12CC(C1)C[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000595909361 343189389 /nfs/dbraw/zinc/18/93/89/343189389.db2.gz LWGZSQUCBGFKKT-UHFFFAOYSA-N 2 2 277.324 1.397 10 5 CDBELP [NH3+]CC12CC(C1)C[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000595909361 343189392 /nfs/dbraw/zinc/18/93/92/343189392.db2.gz LWGZSQUCBGFKKT-UHFFFAOYSA-N 2 2 277.324 1.397 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422938236 374364799 /nfs/dbraw/zinc/36/47/99/374364799.db2.gz HAHBMGBTLURVQG-LSDHHAIUSA-N 2 2 291.351 1.451 10 5 CDBELP C[C@]1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC000261930166 280154959 /nfs/dbraw/zinc/15/49/59/280154959.db2.gz CRQWPOUZIXWZRA-HNNXBMFYSA-N 2 2 275.352 1.953 10 5 CDBELP C[C@]1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC000261930166 280154960 /nfs/dbraw/zinc/15/49/60/280154960.db2.gz CRQWPOUZIXWZRA-HNNXBMFYSA-N 2 2 275.352 1.953 10 5 CDBELP C[N@H+](CC[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000062726617 522866684 /nfs/dbraw/zinc/86/66/84/522866684.db2.gz NDBWNSCHHIYSFA-UHFFFAOYSA-N 2 2 263.341 1.821 10 5 CDBELP C[N@@H+](CC[NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000062726617 522866696 /nfs/dbraw/zinc/86/66/96/522866696.db2.gz NDBWNSCHHIYSFA-UHFFFAOYSA-N 2 2 263.341 1.821 10 5 CDBELP Cc1c(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358311474 360949429 /nfs/dbraw/zinc/94/94/29/360949429.db2.gz PGUUYKVSZGWIKN-GWCFXTLKSA-N 2 2 263.341 1.943 10 5 CDBELP Cc1c(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358311474 360949433 /nfs/dbraw/zinc/94/94/33/360949433.db2.gz PGUUYKVSZGWIKN-GWCFXTLKSA-N 2 2 263.341 1.943 10 5 CDBELP CCO[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405291340 374049881 /nfs/dbraw/zinc/04/98/81/374049881.db2.gz HOFPNZWXJDLEDC-TZMCWYRMSA-N 2 2 279.340 1.390 10 5 CDBELP CCO[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405291340 374049885 /nfs/dbraw/zinc/04/98/85/374049885.db2.gz HOFPNZWXJDLEDC-TZMCWYRMSA-N 2 2 279.340 1.390 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1cc(F)cc([N+](=O)[O-])c1 ZINC000052304617 527198404 /nfs/dbraw/zinc/19/84/04/527198404.db2.gz INLATKGDRFSAFY-UHFFFAOYSA-N 2 2 250.233 1.421 10 5 CDBELP C[NH+](C)C[C@H](CO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599084935 343950705 /nfs/dbraw/zinc/95/07/05/343950705.db2.gz GJBJQFGAVBSRAQ-LLVKDONJSA-N 2 2 290.323 1.477 10 5 CDBELP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000062726515 527398593 /nfs/dbraw/zinc/39/85/93/527398593.db2.gz KKYLFBCHILCBNO-CYBMUJFWSA-N 2 2 275.352 1.964 10 5 CDBELP O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000062726515 527398602 /nfs/dbraw/zinc/39/86/02/527398602.db2.gz KKYLFBCHILCBNO-CYBMUJFWSA-N 2 2 275.352 1.964 10 5 CDBELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000414754477 535279274 /nfs/dbraw/zinc/27/92/74/535279274.db2.gz NRZOIJVYZBZADX-GFCCVEGCSA-N 2 2 295.387 1.802 10 5 CDBELP Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000853798194 710733127 /nfs/dbraw/zinc/73/31/27/710733127.db2.gz DHUYSVYTCQGIPQ-UHFFFAOYSA-N 2 2 295.387 1.594 10 5 CDBELP Cc1ccc([N+](=O)[O-])c(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000853798194 710733130 /nfs/dbraw/zinc/73/31/30/710733130.db2.gz DHUYSVYTCQGIPQ-UHFFFAOYSA-N 2 2 295.387 1.594 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449389075 374806359 /nfs/dbraw/zinc/80/63/59/374806359.db2.gz BVUDHXRFKNPHJW-OAHLLOKOSA-N 2 2 293.367 1.531 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449389075 374806368 /nfs/dbraw/zinc/80/63/68/374806368.db2.gz BVUDHXRFKNPHJW-OAHLLOKOSA-N 2 2 293.367 1.531 10 5 CDBELP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])CC1 ZINC001655331189 1171687767 /nfs/dbraw/zinc/68/77/67/1171687767.db2.gz ZKOYUDHBLVQGHZ-AWEZNQCLSA-N 2 2 269.389 1.850 10 5 CDBELP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC[N+](=O)[O-])CC1 ZINC001655331189 1171687772 /nfs/dbraw/zinc/68/77/72/1171687772.db2.gz ZKOYUDHBLVQGHZ-AWEZNQCLSA-N 2 2 269.389 1.850 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846220927 931995158 /nfs/dbraw/zinc/99/51/58/931995158.db2.gz ZDNHCHAZXUWRPU-UHFFFAOYSA-N 2 2 291.351 1.876 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846220927 931995161 /nfs/dbraw/zinc/99/51/61/931995161.db2.gz ZDNHCHAZXUWRPU-UHFFFAOYSA-N 2 2 291.351 1.876 10 5 CDBELP Cn1c[nH+]cc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601150063 342482453 /nfs/dbraw/zinc/48/24/53/342482453.db2.gz TYONGHFOYXZJSE-CQSZACIVSA-N 2 2 290.323 1.326 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422562240 245115509 /nfs/dbraw/zinc/11/55/09/245115509.db2.gz PPMSSPNVTXPHGK-UHFFFAOYSA-N 2 2 261.325 1.923 10 5 CDBELP C[C@H]1C[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000174873693 379601973 /nfs/dbraw/zinc/60/19/73/379601973.db2.gz HCOFDJRUKPMOBE-RYUDHWBXSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@H]1C[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000174873693 379601982 /nfs/dbraw/zinc/60/19/82/379601982.db2.gz HCOFDJRUKPMOBE-RYUDHWBXSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC[NH+]1C ZINC000174873693 379601986 /nfs/dbraw/zinc/60/19/86/379601986.db2.gz HCOFDJRUKPMOBE-RYUDHWBXSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC[NH+]1C ZINC000174873693 379601996 /nfs/dbraw/zinc/60/19/96/379601996.db2.gz HCOFDJRUKPMOBE-RYUDHWBXSA-N 2 2 281.360 1.206 10 5 CDBELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])o2)C1 ZINC000044533141 175197445 /nfs/dbraw/zinc/19/74/45/175197445.db2.gz SNNUADPBEKDSAO-JTQLQIEISA-N 2 2 253.302 1.619 10 5 CDBELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])o2)C1 ZINC000044533141 175197446 /nfs/dbraw/zinc/19/74/46/175197446.db2.gz SNNUADPBEKDSAO-JTQLQIEISA-N 2 2 253.302 1.619 10 5 CDBELP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC001328437259 955295598 /nfs/dbraw/zinc/29/55/98/955295598.db2.gz NYVZOGYDMHKTJX-AWEZNQCLSA-N 2 2 289.335 1.431 10 5 CDBELP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC001328437259 955295602 /nfs/dbraw/zinc/29/56/02/955295602.db2.gz NYVZOGYDMHKTJX-AWEZNQCLSA-N 2 2 289.335 1.431 10 5 CDBELP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000593969888 342858672 /nfs/dbraw/zinc/85/86/72/342858672.db2.gz FEHDSMSRZSDEBN-CABCVRRESA-N 2 2 295.383 1.948 10 5 CDBELP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000593969888 342858673 /nfs/dbraw/zinc/85/86/73/342858673.db2.gz FEHDSMSRZSDEBN-CABCVRRESA-N 2 2 295.383 1.948 10 5 CDBELP [NH3+]CC12CC(C1)C[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000595908234 343188913 /nfs/dbraw/zinc/18/89/13/343188913.db2.gz GJPYQLOHTFKIBY-UHFFFAOYSA-N 2 2 277.324 1.397 10 5 CDBELP [NH3+]CC12CC(C1)C[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000595908234 343188915 /nfs/dbraw/zinc/18/89/15/343188915.db2.gz GJPYQLOHTFKIBY-UHFFFAOYSA-N 2 2 277.324 1.397 10 5 CDBELP C[N@@H+]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000134277786 360327830 /nfs/dbraw/zinc/32/78/30/360327830.db2.gz DDCZOSZLZDDIHY-CYBMUJFWSA-N 2 2 263.341 1.821 10 5 CDBELP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000134277786 360327835 /nfs/dbraw/zinc/32/78/35/360327835.db2.gz DDCZOSZLZDDIHY-CYBMUJFWSA-N 2 2 263.341 1.821 10 5 CDBELP CC[N@H+](C)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726601 520238162 /nfs/dbraw/zinc/23/81/62/520238162.db2.gz GRCSVHRMWHAGQD-UHFFFAOYSA-N 2 2 251.330 1.679 10 5 CDBELP CC[N@@H+](C)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726601 520238166 /nfs/dbraw/zinc/23/81/66/520238166.db2.gz GRCSVHRMWHAGQD-UHFFFAOYSA-N 2 2 251.330 1.679 10 5 CDBELP O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903469416 626003309 /nfs/dbraw/zinc/00/33/09/626003309.db2.gz URKVHJFAGIFCBX-CQSZACIVSA-N 2 2 291.351 1.848 10 5 CDBELP COc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000597203102 343472591 /nfs/dbraw/zinc/47/25/91/343472591.db2.gz MXQGDFFLSSZYGB-UHFFFAOYSA-N 2 2 279.340 1.597 10 5 CDBELP COc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000597203102 343472593 /nfs/dbraw/zinc/47/25/93/343472593.db2.gz MXQGDFFLSSZYGB-UHFFFAOYSA-N 2 2 279.340 1.597 10 5 CDBELP C[NH2+]CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000415127993 391259767 /nfs/dbraw/zinc/25/97/67/391259767.db2.gz JFNOTEUOUBREHB-UHFFFAOYSA-N 2 2 251.330 1.945 10 5 CDBELP C[NH2+]CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000415127993 391259768 /nfs/dbraw/zinc/25/97/68/391259768.db2.gz JFNOTEUOUBREHB-UHFFFAOYSA-N 2 2 251.330 1.945 10 5 CDBELP COc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415008147 391239953 /nfs/dbraw/zinc/23/99/53/391239953.db2.gz MOAXMUBTTZOJHO-RKDXNWHRSA-N 2 2 253.302 1.429 10 5 CDBELP O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000374200336 160263742 /nfs/dbraw/zinc/26/37/42/160263742.db2.gz OYLTZDWYFIYVMD-UHFFFAOYSA-N 2 2 290.327 1.394 10 5 CDBELP Cn1cc[nH+]c1CC[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000040639388 174363739 /nfs/dbraw/zinc/36/37/39/174363739.db2.gz OVVBSINNUQDDRS-UHFFFAOYSA-N 2 2 296.277 1.939 10 5 CDBELP Cc1c(C[NH2+]CCc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000045134427 175312512 /nfs/dbraw/zinc/31/25/12/175312512.db2.gz PXNQGRHGPCDDRY-UHFFFAOYSA-N 2 2 274.324 1.969 10 5 CDBELP C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903498255 626008714 /nfs/dbraw/zinc/00/87/14/626008714.db2.gz AFHPYJJGGCZJMY-GHMZBOCLSA-N 2 2 279.340 1.717 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903498255 626008717 /nfs/dbraw/zinc/00/87/17/626008717.db2.gz AFHPYJJGGCZJMY-GHMZBOCLSA-N 2 2 279.340 1.717 10 5 CDBELP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cs1 ZINC000903955102 626166614 /nfs/dbraw/zinc/16/66/14/626166614.db2.gz KVDVGYKSLZJBFC-SECBINFHSA-N 2 2 291.323 1.991 10 5 CDBELP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817984702 679547421 /nfs/dbraw/zinc/54/74/21/679547421.db2.gz XLGBOSPELZPRRS-ZYHUDNBSSA-N 2 2 278.356 1.970 10 5 CDBELP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923416780 679607334 /nfs/dbraw/zinc/60/73/34/679607334.db2.gz ZNZIWVVLPCDWSM-AWEZNQCLSA-N 2 2 293.367 1.702 10 5 CDBELP CC1(C)CC[NH2+]CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923416780 679607337 /nfs/dbraw/zinc/60/73/37/679607337.db2.gz ZNZIWVVLPCDWSM-AWEZNQCLSA-N 2 2 293.367 1.702 10 5 CDBELP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CC[N+](=O)[O-])CC1 ZINC001655331190 1171686489 /nfs/dbraw/zinc/68/64/89/1171686489.db2.gz ZKOYUDHBLVQGHZ-CQSZACIVSA-N 2 2 269.389 1.850 10 5 CDBELP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC[N+](=O)[O-])CC1 ZINC001655331190 1171686495 /nfs/dbraw/zinc/68/64/95/1171686495.db2.gz ZKOYUDHBLVQGHZ-CQSZACIVSA-N 2 2 269.389 1.850 10 5 CDBELP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724977 342829189 /nfs/dbraw/zinc/82/91/89/342829189.db2.gz DCLKNJDUEUJZMM-VIFPVBQESA-N 2 2 251.286 1.081 10 5 CDBELP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724977 342829190 /nfs/dbraw/zinc/82/91/90/342829190.db2.gz DCLKNJDUEUJZMM-VIFPVBQESA-N 2 2 251.286 1.081 10 5 CDBELP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728044 342829740 /nfs/dbraw/zinc/82/97/40/342829740.db2.gz XICCUVYIHMVTCA-VHSXEESVSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728044 342829741 /nfs/dbraw/zinc/82/97/41/342829741.db2.gz XICCUVYIHMVTCA-VHSXEESVSA-N 2 2 265.313 1.470 10 5 CDBELP Cn1c[nH+]c(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000313295662 350830090 /nfs/dbraw/zinc/83/00/90/350830090.db2.gz KTWDSRUVNXOVOI-UHFFFAOYSA-N 2 2 274.324 1.703 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422561726 245115327 /nfs/dbraw/zinc/11/53/27/245115327.db2.gz MZNXHPSBZJAWER-UHFFFAOYSA-N 2 2 261.325 1.923 10 5 CDBELP Cn1c[nH+]c(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000313309690 260282393 /nfs/dbraw/zinc/28/23/93/260282393.db2.gz WAGRKRHXJYNACK-UHFFFAOYSA-N 2 2 260.297 1.661 10 5 CDBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000261868882 679790964 /nfs/dbraw/zinc/79/09/64/679790964.db2.gz YRYGFXSODIUOMG-ZWKOPEQDSA-N 2 2 279.315 1.903 10 5 CDBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000261868882 679790967 /nfs/dbraw/zinc/79/09/67/679790967.db2.gz YRYGFXSODIUOMG-ZWKOPEQDSA-N 2 2 279.315 1.903 10 5 CDBELP [NH3+]C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000600679108 342242011 /nfs/dbraw/zinc/24/20/11/342242011.db2.gz ZNRHOQWRUSMDDB-UHFFFAOYSA-N 2 2 265.313 1.192 10 5 CDBELP Cc1ccnc(NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596425843 343311988 /nfs/dbraw/zinc/31/19/88/343311988.db2.gz WRWUNHMZGQZTLU-UHFFFAOYSA-N 2 2 295.387 1.594 10 5 CDBELP Cc1ccnc(NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596425843 343311990 /nfs/dbraw/zinc/31/19/90/343311990.db2.gz WRWUNHMZGQZTLU-UHFFFAOYSA-N 2 2 295.387 1.594 10 5 CDBELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000340107419 359562709 /nfs/dbraw/zinc/56/27/09/359562709.db2.gz DITDZAFAOUOZKN-SMDDNHRTSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000340107419 359562718 /nfs/dbraw/zinc/56/27/18/359562718.db2.gz DITDZAFAOUOZKN-SMDDNHRTSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000708869886 688077907 /nfs/dbraw/zinc/07/79/07/688077907.db2.gz JSQAMSQJDUUENM-KOLCDFICSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000708869886 688077920 /nfs/dbraw/zinc/07/79/20/688077920.db2.gz JSQAMSQJDUUENM-KOLCDFICSA-N 2 2 267.304 1.761 10 5 CDBELP COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000611515391 346807257 /nfs/dbraw/zinc/80/72/57/346807257.db2.gz YUGIYZGPRRWKKN-VXGBXAGGSA-N 2 2 277.324 1.255 10 5 CDBELP CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000593727249 342829807 /nfs/dbraw/zinc/82/98/07/342829807.db2.gz HATYEPJPHTWOSV-MFKMUULPSA-N 2 2 279.340 1.860 10 5 CDBELP CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000593727249 342829808 /nfs/dbraw/zinc/82/98/08/342829808.db2.gz HATYEPJPHTWOSV-MFKMUULPSA-N 2 2 279.340 1.860 10 5 CDBELP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414941536 370813346 /nfs/dbraw/zinc/81/33/46/370813346.db2.gz YQIMNULWKCYAEV-GXFFZTMASA-N 2 2 263.341 1.991 10 5 CDBELP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414941535 371137093 /nfs/dbraw/zinc/13/70/93/371137093.db2.gz YQIMNULWKCYAEV-GWCFXTLKSA-N 2 2 263.341 1.991 10 5 CDBELP C[NH+](C)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000193232061 378260363 /nfs/dbraw/zinc/26/03/63/378260363.db2.gz QKNBRGXUKMTIBN-UHFFFAOYSA-N 2 2 293.367 2.000 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1ccc([N+](=O)[O-])c2ncccc12 ZINC000052304555 527198483 /nfs/dbraw/zinc/19/84/83/527198483.db2.gz WQZTYZKJEAYVDD-UHFFFAOYSA-N 2 2 283.291 1.830 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925490197 694320820 /nfs/dbraw/zinc/32/08/20/694320820.db2.gz LYUVZFABRVNRJF-ZIAGYGMSSA-N 2 2 291.351 1.963 10 5 CDBELP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000872230952 723672496 /nfs/dbraw/zinc/67/24/96/723672496.db2.gz AUHHREHHJBGSEF-CQSZACIVSA-N 2 2 293.367 1.448 10 5 CDBELP Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000872230952 723672497 /nfs/dbraw/zinc/67/24/97/723672497.db2.gz AUHHREHHJBGSEF-CQSZACIVSA-N 2 2 293.367 1.448 10 5 CDBELP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000596651211 343371499 /nfs/dbraw/zinc/37/14/99/343371499.db2.gz BXRRHBNSFSRCEN-CDWSIMAYSA-N 2 2 261.325 1.997 10 5 CDBELP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422632293 245143001 /nfs/dbraw/zinc/14/30/01/245143001.db2.gz GOGKGMUQKJMJLD-UHFFFAOYSA-N 2 2 291.351 1.802 10 5 CDBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313363254 260287461 /nfs/dbraw/zinc/28/74/61/260287461.db2.gz VZEWVDPHWXRLGP-SMDDNHRTSA-N 2 2 279.340 1.705 10 5 CDBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313363254 260287462 /nfs/dbraw/zinc/28/74/62/260287462.db2.gz VZEWVDPHWXRLGP-SMDDNHRTSA-N 2 2 279.340 1.705 10 5 CDBELP CCO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000922753269 723761912 /nfs/dbraw/zinc/76/19/12/723761912.db2.gz NREMSCQGDSQYNR-AWEZNQCLSA-N 2 2 295.383 1.960 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923423855 723770612 /nfs/dbraw/zinc/77/06/12/723770612.db2.gz CISUQKYQGRUXSU-NWANDNLSSA-N 2 2 291.351 1.170 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923423855 723770613 /nfs/dbraw/zinc/77/06/13/723770613.db2.gz CISUQKYQGRUXSU-NWANDNLSSA-N 2 2 291.351 1.170 10 5 CDBELP C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923494472 723781677 /nfs/dbraw/zinc/78/16/77/723781677.db2.gz NFWGQMCNJDZVLN-GHMZBOCLSA-N 2 2 279.340 1.717 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923494472 723781679 /nfs/dbraw/zinc/78/16/79/723781679.db2.gz NFWGQMCNJDZVLN-GHMZBOCLSA-N 2 2 279.340 1.717 10 5 CDBELP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728051 342829773 /nfs/dbraw/zinc/82/97/73/342829773.db2.gz XPEDKKMUFGNOAK-CYBMUJFWSA-N 2 2 265.313 1.471 10 5 CDBELP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728051 342829774 /nfs/dbraw/zinc/82/97/74/342829774.db2.gz XPEDKKMUFGNOAK-CYBMUJFWSA-N 2 2 265.313 1.471 10 5 CDBELP Cc1cnc(NCC[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596424295 343311483 /nfs/dbraw/zinc/31/14/83/343311483.db2.gz GQKFXCWSPXCMNW-UHFFFAOYSA-N 2 2 295.387 1.594 10 5 CDBELP Cc1cnc(NCC[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596424295 343311484 /nfs/dbraw/zinc/31/14/84/343311484.db2.gz GQKFXCWSPXCMNW-UHFFFAOYSA-N 2 2 295.387 1.594 10 5 CDBELP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923416781 726927476 /nfs/dbraw/zinc/92/74/76/726927476.db2.gz ZNZIWVVLPCDWSM-CQSZACIVSA-N 2 2 293.367 1.702 10 5 CDBELP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923416781 726927481 /nfs/dbraw/zinc/92/74/81/726927481.db2.gz ZNZIWVVLPCDWSM-CQSZACIVSA-N 2 2 293.367 1.702 10 5 CDBELP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727659 342829756 /nfs/dbraw/zinc/82/97/56/342829756.db2.gz PKYXWJBDTSYXPX-VHSXEESVSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727659 342829757 /nfs/dbraw/zinc/82/97/57/342829757.db2.gz PKYXWJBDTSYXPX-VHSXEESVSA-N 2 2 265.313 1.470 10 5 CDBELP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[NH2+]CCO1 ZINC000126779035 342204886 /nfs/dbraw/zinc/20/48/86/342204886.db2.gz ILWRVYYMSJHUHY-ZDUSSCGKSA-N 2 2 279.340 1.058 10 5 CDBELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]21 ZINC000593727990 342829730 /nfs/dbraw/zinc/82/97/30/342829730.db2.gz UKAFCCCVIHSOED-LERXQTSPSA-N 2 2 291.351 1.860 10 5 CDBELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]21 ZINC000593727990 342829731 /nfs/dbraw/zinc/82/97/31/342829731.db2.gz UKAFCCCVIHSOED-LERXQTSPSA-N 2 2 291.351 1.860 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602618 375879025 /nfs/dbraw/zinc/87/90/25/375879025.db2.gz HEUGHXGWEBTGGD-BETUJISGSA-N 2 2 291.351 1.597 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193602618 375879029 /nfs/dbraw/zinc/87/90/29/375879029.db2.gz HEUGHXGWEBTGGD-BETUJISGSA-N 2 2 291.351 1.597 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193602618 375879034 /nfs/dbraw/zinc/87/90/34/375879034.db2.gz HEUGHXGWEBTGGD-BETUJISGSA-N 2 2 291.351 1.597 10 5 CDBELP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193602618 375879040 /nfs/dbraw/zinc/87/90/40/375879040.db2.gz HEUGHXGWEBTGGD-BETUJISGSA-N 2 2 291.351 1.597 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261594913 140360129 /nfs/dbraw/zinc/36/01/29/140360129.db2.gz NVDQPEFDLQNDMV-OLZOCXBDSA-N 2 2 261.325 1.636 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261594913 140360130 /nfs/dbraw/zinc/36/01/30/140360130.db2.gz NVDQPEFDLQNDMV-OLZOCXBDSA-N 2 2 261.325 1.636 10 5 CDBELP C[C@@H]([NH3+])Cc1[nH+]ccn1CCc1ccccc1[N+](=O)[O-] ZINC000062802934 525000578 /nfs/dbraw/zinc/00/05/78/525000578.db2.gz JQMWMHXWDNDVPK-LLVKDONJSA-N 2 2 274.324 1.924 10 5 CDBELP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817984701 730710321 /nfs/dbraw/zinc/71/03/21/730710321.db2.gz XLGBOSPELZPRRS-PWSUYJOCSA-N 2 2 278.356 1.970 10 5 CDBELP CCO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000922753270 921788581 /nfs/dbraw/zinc/78/85/81/921788581.db2.gz NREMSCQGDSQYNR-CQSZACIVSA-N 2 2 295.383 1.960 10 5 CDBELP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727048 342829708 /nfs/dbraw/zinc/82/97/08/342829708.db2.gz BHCYJNXOHWPOLB-LLVKDONJSA-N 2 2 279.340 1.861 10 5 CDBELP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727048 342829710 /nfs/dbraw/zinc/82/97/10/342829710.db2.gz BHCYJNXOHWPOLB-LLVKDONJSA-N 2 2 279.340 1.861 10 5 CDBELP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593924683 342852175 /nfs/dbraw/zinc/85/21/75/342852175.db2.gz MKKHTOTXAVHRDL-ONGXEEELSA-N 2 2 265.313 1.612 10 5 CDBELP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593924683 342852177 /nfs/dbraw/zinc/85/21/77/342852177.db2.gz MKKHTOTXAVHRDL-ONGXEEELSA-N 2 2 265.313 1.612 10 5 CDBELP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000593969891 342858844 /nfs/dbraw/zinc/85/88/44/342858844.db2.gz FEHDSMSRZSDEBN-LSDHHAIUSA-N 2 2 295.383 1.948 10 5 CDBELP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000593969891 342858845 /nfs/dbraw/zinc/85/88/45/342858845.db2.gz FEHDSMSRZSDEBN-LSDHHAIUSA-N 2 2 295.383 1.948 10 5 CDBELP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000040600697 174350814 /nfs/dbraw/zinc/35/08/14/174350814.db2.gz PKHZMHKBZKEYGC-JTQLQIEISA-N 2 2 253.302 1.619 10 5 CDBELP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000040600697 174350816 /nfs/dbraw/zinc/35/08/16/174350816.db2.gz PKHZMHKBZKEYGC-JTQLQIEISA-N 2 2 253.302 1.619 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333899 342555012 /nfs/dbraw/zinc/55/50/12/342555012.db2.gz IFHNGXGTQDECEG-RISCZKNCSA-N 2 2 291.351 1.874 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333899 342555013 /nfs/dbraw/zinc/55/50/13/342555013.db2.gz IFHNGXGTQDECEG-RISCZKNCSA-N 2 2 291.351 1.874 10 5 CDBELP C[C@](C[NH3+])([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000593725422 342829422 /nfs/dbraw/zinc/82/94/22/342829422.db2.gz OODHXQQCPODENM-CYBMUJFWSA-N 2 2 265.313 1.517 10 5 CDBELP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955825 626166835 /nfs/dbraw/zinc/16/68/35/626166835.db2.gz ZQSSEIMCMUSVJP-NSHDSACASA-N 2 2 285.294 1.929 10 5 CDBELP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001333528924 958402208 /nfs/dbraw/zinc/40/22/08/958402208.db2.gz JEWZMSZMXYNTTP-CQSZACIVSA-N 2 2 289.335 1.289 10 5 CDBELP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC001333528924 958402212 /nfs/dbraw/zinc/40/22/12/958402212.db2.gz JEWZMSZMXYNTTP-CQSZACIVSA-N 2 2 289.335 1.289 10 5 CDBELP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1C[NH2+]CCO1 ZINC000126779283 342204864 /nfs/dbraw/zinc/20/48/64/342204864.db2.gz ILWRVYYMSJHUHY-CYBMUJFWSA-N 2 2 279.340 1.058 10 5 CDBELP CCOc1cc(N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124488934 345669464 /nfs/dbraw/zinc/66/94/64/345669464.db2.gz BGZABCWXYOXEOA-LBPRGKRZSA-N 2 2 294.355 1.073 10 5 CDBELP CCOc1cc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000124488934 345669465 /nfs/dbraw/zinc/66/94/65/345669465.db2.gz BGZABCWXYOXEOA-LBPRGKRZSA-N 2 2 294.355 1.073 10 5 CDBELP [NH3+]C[C@@H]1CCCC[N@@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062727107 527209021 /nfs/dbraw/zinc/20/90/21/527209021.db2.gz IQRZMSNOGDCGKT-ZDUSSCGKSA-N 2 2 263.341 1.951 10 5 CDBELP [NH3+]C[C@@H]1CCCC[N@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062727107 527209028 /nfs/dbraw/zinc/20/90/28/527209028.db2.gz IQRZMSNOGDCGKT-ZDUSSCGKSA-N 2 2 263.341 1.951 10 5 CDBELP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414957188 371170727 /nfs/dbraw/zinc/17/07/27/371170727.db2.gz NXCDPLDPNJWJDV-PSASIEDQSA-N 2 2 255.343 1.744 10 5 CDBELP O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374202140 160263459 /nfs/dbraw/zinc/26/34/59/160263459.db2.gz ZOTUWKGVPLDKMP-UHFFFAOYSA-N 2 2 290.327 1.394 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923423405 746273507 /nfs/dbraw/zinc/27/35/07/746273507.db2.gz CISUQKYQGRUXSU-AEGPPILISA-N 2 2 291.351 1.170 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923423405 746273528 /nfs/dbraw/zinc/27/35/28/746273528.db2.gz CISUQKYQGRUXSU-AEGPPILISA-N 2 2 291.351 1.170 10 5 CDBELP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968792 748757072 /nfs/dbraw/zinc/75/70/72/748757072.db2.gz MRLGSZZZFZQFMO-GBIKHYSHSA-N 2 2 278.356 1.826 10 5 CDBELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344605012 365525697 /nfs/dbraw/zinc/52/56/97/365525697.db2.gz MKBUWXYCDHDTDK-DGCLKSJQSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344605012 365525706 /nfs/dbraw/zinc/52/57/06/365525706.db2.gz MKBUWXYCDHDTDK-DGCLKSJQSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107855773 349714882 /nfs/dbraw/zinc/71/48/82/349714882.db2.gz LJXWNNWJSHDXAC-RAIGVLPGSA-N 2 2 261.325 1.807 10 5 CDBELP C[C@@H]1C[C@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000174873662 372655005 /nfs/dbraw/zinc/65/50/05/372655005.db2.gz HCOFDJRUKPMOBE-VXGBXAGGSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@@H]1C[C@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000174873662 372655010 /nfs/dbraw/zinc/65/50/10/372655010.db2.gz HCOFDJRUKPMOBE-VXGBXAGGSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC[NH+]1C ZINC000174873662 372655017 /nfs/dbraw/zinc/65/50/17/372655017.db2.gz HCOFDJRUKPMOBE-VXGBXAGGSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC[NH+]1C ZINC000174873662 372655021 /nfs/dbraw/zinc/65/50/21/372655021.db2.gz HCOFDJRUKPMOBE-VXGBXAGGSA-N 2 2 281.360 1.206 10 5 CDBELP C[N@@H+]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000134277758 375948397 /nfs/dbraw/zinc/94/83/97/375948397.db2.gz DDCZOSZLZDDIHY-ZDUSSCGKSA-N 2 2 263.341 1.821 10 5 CDBELP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000134277758 375948403 /nfs/dbraw/zinc/94/84/03/375948403.db2.gz DDCZOSZLZDDIHY-ZDUSSCGKSA-N 2 2 263.341 1.821 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1ccc(F)cc1[N+](=O)[O-] ZINC000052304421 527198661 /nfs/dbraw/zinc/19/86/61/527198661.db2.gz MRDGEWCTJMODSF-UHFFFAOYSA-N 2 2 250.233 1.421 10 5 CDBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000176080624 752848900 /nfs/dbraw/zinc/84/89/00/752848900.db2.gz PYJAJIQCNWBQIF-GFCCVEGCSA-N 2 2 290.327 1.418 10 5 CDBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000176080624 752848906 /nfs/dbraw/zinc/84/89/06/752848906.db2.gz PYJAJIQCNWBQIF-GFCCVEGCSA-N 2 2 290.327 1.418 10 5 CDBELP C[NH+](C)CCC[N@H+](C)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601193533 342488626 /nfs/dbraw/zinc/48/86/26/342488626.db2.gz JQUILQWZJGUAIF-UHFFFAOYSA-N 2 2 299.350 1.424 10 5 CDBELP C[NH+](C)CCC[N@@H+](C)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601193533 342488627 /nfs/dbraw/zinc/48/86/27/342488627.db2.gz JQUILQWZJGUAIF-UHFFFAOYSA-N 2 2 299.350 1.424 10 5 CDBELP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000593727989 342829667 /nfs/dbraw/zinc/82/96/67/342829667.db2.gz UKAFCCCVIHSOED-DDTOSNHZSA-N 2 2 291.351 1.860 10 5 CDBELP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000593727989 342829668 /nfs/dbraw/zinc/82/96/68/342829668.db2.gz UKAFCCCVIHSOED-DDTOSNHZSA-N 2 2 291.351 1.860 10 5 CDBELP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449390297 374806554 /nfs/dbraw/zinc/80/65/54/374806554.db2.gz GETOCAARHDALMO-CQSZACIVSA-N 2 2 293.367 1.531 10 5 CDBELP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449390297 374806561 /nfs/dbraw/zinc/80/65/61/374806561.db2.gz GETOCAARHDALMO-CQSZACIVSA-N 2 2 293.367 1.531 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000703596374 755697313 /nfs/dbraw/zinc/69/73/13/755697313.db2.gz PPXFMFKXKHJNQT-GXTWGEPZSA-N 2 2 261.325 1.636 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000703596374 755697322 /nfs/dbraw/zinc/69/73/22/755697322.db2.gz PPXFMFKXKHJNQT-GXTWGEPZSA-N 2 2 261.325 1.636 10 5 CDBELP C[C@@](C[NH3+])([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000593725423 342829354 /nfs/dbraw/zinc/82/93/54/342829354.db2.gz OODHXQQCPODENM-ZDUSSCGKSA-N 2 2 265.313 1.517 10 5 CDBELP C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000593725574 342829490 /nfs/dbraw/zinc/82/94/90/342829490.db2.gz QNODWWBATMCDID-UHFFFAOYSA-N 2 2 267.329 1.717 10 5 CDBELP C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000593725574 342829491 /nfs/dbraw/zinc/82/94/91/342829491.db2.gz QNODWWBATMCDID-UHFFFAOYSA-N 2 2 267.329 1.717 10 5 CDBELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000344206538 362555343 /nfs/dbraw/zinc/55/53/43/362555343.db2.gz FSDPQNVCHGRIMC-FZMZJTMJSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000344206538 362555346 /nfs/dbraw/zinc/55/53/46/362555346.db2.gz FSDPQNVCHGRIMC-FZMZJTMJSA-N 2 2 263.341 1.677 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414923114 371105601 /nfs/dbraw/zinc/10/56/01/371105601.db2.gz GYXCQDRCGJHBDP-HZMBPMFUSA-N 2 2 263.341 1.991 10 5 CDBELP O=[N+]([O-])c1cccc2c1CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000133714730 393203645 /nfs/dbraw/zinc/20/36/45/393203645.db2.gz WMVDWWYGBHLFBS-UHFFFAOYSA-N 2 2 272.308 1.850 10 5 CDBELP O=[N+]([O-])c1cccc2c1CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000133714730 393203649 /nfs/dbraw/zinc/20/36/49/393203649.db2.gz WMVDWWYGBHLFBS-UHFFFAOYSA-N 2 2 272.308 1.850 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000052304393 527199366 /nfs/dbraw/zinc/19/93/66/527199366.db2.gz TWSJJYJSVZMNAJ-UHFFFAOYSA-N 2 2 266.688 1.935 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000593727472 342829626 /nfs/dbraw/zinc/82/96/26/342829626.db2.gz LNUPHPVWTGMEIF-TXEJJXNPSA-N 2 2 291.351 1.732 10 5 CDBELP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000600678252 342243967 /nfs/dbraw/zinc/24/39/67/342243967.db2.gz OXDHXBHGHIQXFQ-UHFFFAOYSA-N 2 2 283.303 1.331 10 5 CDBELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000420348781 244121879 /nfs/dbraw/zinc/12/18/79/244121879.db2.gz AYGJRHGBJYVQEU-GWCFXTLKSA-N 2 2 265.313 1.395 10 5 CDBELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000420348781 244121884 /nfs/dbraw/zinc/12/18/84/244121884.db2.gz AYGJRHGBJYVQEU-GWCFXTLKSA-N 2 2 265.313 1.395 10 5 CDBELP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000414941538 371137081 /nfs/dbraw/zinc/13/70/81/371137081.db2.gz YQIMNULWKCYAEV-MFKMUULPSA-N 2 2 263.341 1.991 10 5 CDBELP CC[NH2+][C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000414938612 371144469 /nfs/dbraw/zinc/14/44/69/371144469.db2.gz DBSHFICULMJAKU-LLVKDONJSA-N 2 2 251.330 1.991 10 5 CDBELP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261738780 140382974 /nfs/dbraw/zinc/38/29/74/140382974.db2.gz LVHKBJVHWIWFKA-ZYHUDNBSSA-N 2 2 279.315 1.775 10 5 CDBELP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261738780 140382975 /nfs/dbraw/zinc/38/29/75/140382975.db2.gz LVHKBJVHWIWFKA-ZYHUDNBSSA-N 2 2 279.315 1.775 10 5 CDBELP CC[N@H+](Cc1ccc([N+](=O)[O-])o1)C1CC[NH2+]CC1 ZINC000037538071 173257910 /nfs/dbraw/zinc/25/79/10/173257910.db2.gz ZZEWCNOGRGEONZ-UHFFFAOYSA-N 2 2 253.302 1.762 10 5 CDBELP CC[N@@H+](Cc1ccc([N+](=O)[O-])o1)C1CC[NH2+]CC1 ZINC000037538071 173257912 /nfs/dbraw/zinc/25/79/12/173257912.db2.gz ZZEWCNOGRGEONZ-UHFFFAOYSA-N 2 2 253.302 1.762 10 5 CDBELP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261738767 140382195 /nfs/dbraw/zinc/38/21/95/140382195.db2.gz LVHKBJVHWIWFKA-CMPLNLGQSA-N 2 2 279.315 1.775 10 5 CDBELP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261738767 140382196 /nfs/dbraw/zinc/38/21/96/140382196.db2.gz LVHKBJVHWIWFKA-CMPLNLGQSA-N 2 2 279.315 1.775 10 5 CDBELP [NH3+]C1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000721983376 780331900 /nfs/dbraw/zinc/33/19/00/780331900.db2.gz BRWZPQVCFLFZEB-UHFFFAOYSA-N 2 2 282.319 1.569 10 5 CDBELP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854226150 928173709 /nfs/dbraw/zinc/17/37/09/928173709.db2.gz CYDAWOJRDSVOGM-NAUIOFCNSA-N 2 2 276.340 1.580 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414804734 241396317 /nfs/dbraw/zinc/39/63/17/241396317.db2.gz XTICXDPPLXRBFB-CYBMUJFWSA-N 2 2 251.330 1.976 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414923364 371105753 /nfs/dbraw/zinc/10/57/53/371105753.db2.gz GYXCQDRCGJHBDP-QMTHXVAHSA-N 2 2 263.341 1.991 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415038484 391248785 /nfs/dbraw/zinc/24/87/85/391248785.db2.gz MEVKTXMINBEJCN-CQSZACIVSA-N 2 2 279.340 1.371 10 5 CDBELP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044721395 175236759 /nfs/dbraw/zinc/23/67/59/175236759.db2.gz KWTSRFRZFGVCEF-GFCCVEGCSA-N 2 2 291.351 1.800 10 5 CDBELP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044721395 175236760 /nfs/dbraw/zinc/23/67/60/175236760.db2.gz KWTSRFRZFGVCEF-GFCCVEGCSA-N 2 2 291.351 1.800 10 5 CDBELP C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923494478 923881366 /nfs/dbraw/zinc/88/13/66/923881366.db2.gz NFWGQMCNJDZVLN-WDEREUQCSA-N 2 2 279.340 1.717 10 5 CDBELP C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923494478 923881374 /nfs/dbraw/zinc/88/13/74/923881374.db2.gz NFWGQMCNJDZVLN-WDEREUQCSA-N 2 2 279.340 1.717 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422938233 374364278 /nfs/dbraw/zinc/36/42/78/374364278.db2.gz HAHBMGBTLURVQG-CABCVRRESA-N 2 2 291.351 1.451 10 5 CDBELP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593924344 342852297 /nfs/dbraw/zinc/85/22/97/342852297.db2.gz MKKHTOTXAVHRDL-KOLCDFICSA-N 2 2 265.313 1.612 10 5 CDBELP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593924344 342852298 /nfs/dbraw/zinc/85/22/98/342852298.db2.gz MKKHTOTXAVHRDL-KOLCDFICSA-N 2 2 265.313 1.612 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000600679472 342242222 /nfs/dbraw/zinc/24/22/22/342242222.db2.gz XDRQEVPNWHJEMM-ZDUSSCGKSA-N 2 2 261.325 1.969 10 5 CDBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855762 186195297 /nfs/dbraw/zinc/19/52/97/186195297.db2.gz LJXWNNWJSHDXAC-WCFLWFBJSA-N 2 2 261.325 1.807 10 5 CDBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855762 186195299 /nfs/dbraw/zinc/19/52/99/186195299.db2.gz LJXWNNWJSHDXAC-WCFLWFBJSA-N 2 2 261.325 1.807 10 5 CDBELP COc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358014265 391941379 /nfs/dbraw/zinc/94/13/79/391941379.db2.gz BWBWSSRCCTXVJY-ZYHUDNBSSA-N 2 2 279.340 1.643 10 5 CDBELP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358014265 391941380 /nfs/dbraw/zinc/94/13/80/391941380.db2.gz BWBWSSRCCTXVJY-ZYHUDNBSSA-N 2 2 279.340 1.643 10 5 CDBELP C[NH+](C)CC1(O)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000931485086 795380477 /nfs/dbraw/zinc/38/04/77/795380477.db2.gz YCECWBNENCQCHU-UHFFFAOYSA-N 2 2 299.396 1.545 10 5 CDBELP Cn1c[nH+]cc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601150062 342482420 /nfs/dbraw/zinc/48/24/20/342482420.db2.gz TYONGHFOYXZJSE-AWEZNQCLSA-N 2 2 290.323 1.326 10 5 CDBELP O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422564458 245113887 /nfs/dbraw/zinc/11/38/87/245113887.db2.gz WEPVWCVRXMDCAV-UHFFFAOYSA-N 2 2 261.325 1.923 10 5 CDBELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000344206539 391641923 /nfs/dbraw/zinc/64/19/23/391641923.db2.gz FSDPQNVCHGRIMC-RISCZKNCSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000344206539 391641926 /nfs/dbraw/zinc/64/19/26/391641926.db2.gz FSDPQNVCHGRIMC-RISCZKNCSA-N 2 2 263.341 1.677 10 5 CDBELP Cn1cc[nH+]c1CC[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000045134422 175312854 /nfs/dbraw/zinc/31/28/54/175312854.db2.gz TZURUBYJSZDGDD-UHFFFAOYSA-N 2 2 278.287 1.800 10 5 CDBELP COc1ccc(Cn2cc[nH+]c2CC[NH3+])cc1[N+](=O)[O-] ZINC000062802698 524262431 /nfs/dbraw/zinc/26/24/31/524262431.db2.gz SOGLQVDJKAEAJZ-UHFFFAOYSA-N 2 2 276.296 1.349 10 5 CDBELP CC[NH+](CC)CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000738070833 619310008 /nfs/dbraw/zinc/31/00/08/619310008.db2.gz LHJAUFRQQHUMAL-UHFFFAOYSA-N 2 2 295.387 1.803 10 5 CDBELP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[NH2+]CCO1 ZINC000595892925 343182371 /nfs/dbraw/zinc/18/23/71/343182371.db2.gz SKZPHGFFGGSPCM-HNNXBMFYSA-N 2 2 293.367 1.794 10 5 CDBELP O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903469610 626003328 /nfs/dbraw/zinc/00/33/28/626003328.db2.gz VWZQMGQJQGTORQ-AWEZNQCLSA-N 2 2 291.351 1.848 10 5 CDBELP O=[N+]([O-])c1cnn(CC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000174847091 379593017 /nfs/dbraw/zinc/59/30/17/379593017.db2.gz PBUJDBHZZUBVLK-UHFFFAOYSA-N 2 2 293.371 1.352 10 5 CDBELP COc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415008145 391240080 /nfs/dbraw/zinc/24/00/80/391240080.db2.gz MOAXMUBTTZOJHO-DTWKUNHWSA-N 2 2 253.302 1.429 10 5 CDBELP O=[N+]([O-])c1ccccc1CC[NH2+]CCn1cc[nH+]c1 ZINC000062726389 527399478 /nfs/dbraw/zinc/39/94/78/527399478.db2.gz PRDTVRXTNDFZPR-UHFFFAOYSA-N 2 2 260.297 1.624 10 5 CDBELP C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000708869887 820041319 /nfs/dbraw/zinc/04/13/19/820041319.db2.gz JSQAMSQJDUUENM-MWLCHTKSSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000708869887 820041324 /nfs/dbraw/zinc/04/13/24/820041324.db2.gz JSQAMSQJDUUENM-MWLCHTKSSA-N 2 2 267.304 1.761 10 5 CDBELP O=[N+]([O-])c1ccccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422945817 374364041 /nfs/dbraw/zinc/36/40/41/374364041.db2.gz NZNKMDMHKNBNSE-HUUCEWRRSA-N 2 2 291.351 1.451 10 5 CDBELP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@@H]1CC[NH+](C)C1 ZINC000071191105 176068162 /nfs/dbraw/zinc/06/81/62/176068162.db2.gz BPKTWUWBETVIJJ-LLVKDONJSA-N 2 2 278.356 1.561 10 5 CDBELP C[N@H+](Cc1cc([N+](=O)[O-])ccc1N)C[C@@H]1CC[NH+](C)C1 ZINC000071191105 176068164 /nfs/dbraw/zinc/06/81/64/176068164.db2.gz BPKTWUWBETVIJJ-LLVKDONJSA-N 2 2 278.356 1.561 10 5 CDBELP C[NH+](Cc1cc([N+](=O)[O-])ccc1N)C[C@@H]1CC[N@H+](C)C1 ZINC000071191105 176068165 /nfs/dbraw/zinc/06/81/65/176068165.db2.gz BPKTWUWBETVIJJ-LLVKDONJSA-N 2 2 278.356 1.561 10 5 CDBELP C[NH+](Cc1cc([N+](=O)[O-])ccc1N)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191105 176068166 /nfs/dbraw/zinc/06/81/66/176068166.db2.gz BPKTWUWBETVIJJ-LLVKDONJSA-N 2 2 278.356 1.561 10 5 CDBELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1 ZINC000062802753 524836105 /nfs/dbraw/zinc/83/61/05/524836105.db2.gz WOBYNOJBMJHJFT-JTQLQIEISA-N 2 2 260.297 1.729 10 5 CDBELP C[NH+](C)CCNc1cc(-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000038979836 342550421 /nfs/dbraw/zinc/55/04/21/342550421.db2.gz BCRUVUNFLILCIS-UHFFFAOYSA-N 2 2 275.312 1.754 10 5 CDBELP Cc1[nH+]ccn1CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347791127 359648022 /nfs/dbraw/zinc/64/80/22/359648022.db2.gz UKPZQTFNSOXBBC-UHFFFAOYSA-N 2 2 287.323 1.553 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414804736 241396920 /nfs/dbraw/zinc/39/69/20/241396920.db2.gz XTICXDPPLXRBFB-ZDUSSCGKSA-N 2 2 251.330 1.976 10 5 CDBELP COCC[NH2+]C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000568007468 391564838 /nfs/dbraw/zinc/56/48/38/391564838.db2.gz NAVPQHWJEQMGPG-UHFFFAOYSA-N 2 2 293.367 1.795 10 5 CDBELP C[NH+](C)C[C@@H](CO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599084936 343950784 /nfs/dbraw/zinc/95/07/84/343950784.db2.gz GJBJQFGAVBSRAQ-NSHDSACASA-N 2 2 290.323 1.477 10 5 CDBELP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724970 342829316 /nfs/dbraw/zinc/82/93/16/342829316.db2.gz CWNCHMXGHGLFDK-QWRGUYRKSA-N 2 2 279.340 1.860 10 5 CDBELP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724970 342829317 /nfs/dbraw/zinc/82/93/17/342829317.db2.gz CWNCHMXGHGLFDK-QWRGUYRKSA-N 2 2 279.340 1.860 10 5 CDBELP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193615618 375879064 /nfs/dbraw/zinc/87/90/64/375879064.db2.gz NIMOUHPOZOLTSB-VNHYZAJKSA-N 2 2 291.351 1.122 10 5 CDBELP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193615618 375879073 /nfs/dbraw/zinc/87/90/73/375879073.db2.gz NIMOUHPOZOLTSB-VNHYZAJKSA-N 2 2 291.351 1.122 10 5 CDBELP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193615618 375879081 /nfs/dbraw/zinc/87/90/81/375879081.db2.gz NIMOUHPOZOLTSB-VNHYZAJKSA-N 2 2 291.351 1.122 10 5 CDBELP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193615618 375879085 /nfs/dbraw/zinc/87/90/85/375879085.db2.gz NIMOUHPOZOLTSB-VNHYZAJKSA-N 2 2 291.351 1.122 10 5 CDBELP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968798 846367498 /nfs/dbraw/zinc/36/74/98/846367498.db2.gz MRLGSZZZFZQFMO-OUJBWJOFSA-N 2 2 278.356 1.826 10 5 CDBELP COc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000415008146 536896998 /nfs/dbraw/zinc/89/69/98/536896998.db2.gz MOAXMUBTTZOJHO-IUCAKERBSA-N 2 2 253.302 1.429 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596109032 343229472 /nfs/dbraw/zinc/22/94/72/343229472.db2.gz SIUAUEOVHFSNIJ-UHFFFAOYSA-N 2 2 261.325 1.745 10 5 CDBELP Cc1c(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358311475 360949764 /nfs/dbraw/zinc/94/97/64/360949764.db2.gz PGUUYKVSZGWIKN-GXFFZTMASA-N 2 2 263.341 1.943 10 5 CDBELP Cc1c(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358311475 360949767 /nfs/dbraw/zinc/94/97/67/360949767.db2.gz PGUUYKVSZGWIKN-GXFFZTMASA-N 2 2 263.341 1.943 10 5 CDBELP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654357 278349803 /nfs/dbraw/zinc/34/98/03/278349803.db2.gz XOGJZAROHDSEAO-DGCLKSJQSA-N 2 2 293.367 1.701 10 5 CDBELP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654357 278349804 /nfs/dbraw/zinc/34/98/04/278349804.db2.gz XOGJZAROHDSEAO-DGCLKSJQSA-N 2 2 293.367 1.701 10 5 CDBELP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727660 342829823 /nfs/dbraw/zinc/82/98/23/342829823.db2.gz PKYXWJBDTSYXPX-ZJUUUORDSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727660 342829824 /nfs/dbraw/zinc/82/98/24/342829824.db2.gz PKYXWJBDTSYXPX-ZJUUUORDSA-N 2 2 265.313 1.470 10 5 CDBELP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727510 342829852 /nfs/dbraw/zinc/82/98/52/342829852.db2.gz ODHPRVRBGXUKKK-ZDUSSCGKSA-N 2 2 279.340 1.778 10 5 CDBELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000610420421 346276302 /nfs/dbraw/zinc/27/63/02/346276302.db2.gz ZKQGEDQNXDVLBE-STQMWFEESA-N 2 2 293.367 1.702 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194543624 358378089 /nfs/dbraw/zinc/37/80/89/358378089.db2.gz GRPLXIIFPRONDS-OKILXGFUSA-N 2 2 275.352 1.897 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194543624 358378090 /nfs/dbraw/zinc/37/80/90/358378090.db2.gz GRPLXIIFPRONDS-OKILXGFUSA-N 2 2 275.352 1.897 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194543624 358378091 /nfs/dbraw/zinc/37/80/91/358378091.db2.gz GRPLXIIFPRONDS-OKILXGFUSA-N 2 2 275.352 1.897 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194543624 358378094 /nfs/dbraw/zinc/37/80/94/358378094.db2.gz GRPLXIIFPRONDS-OKILXGFUSA-N 2 2 275.352 1.897 10 5 CDBELP CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071330748 176124458 /nfs/dbraw/zinc/12/44/58/176124458.db2.gz GCEAAFKOHGYDNT-LBPRGKRZSA-N 2 2 281.360 1.174 10 5 CDBELP CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071330748 176124459 /nfs/dbraw/zinc/12/44/59/176124459.db2.gz GCEAAFKOHGYDNT-LBPRGKRZSA-N 2 2 281.360 1.174 10 5 CDBELP CNc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000071792493 176263562 /nfs/dbraw/zinc/26/35/62/176263562.db2.gz SHYDXWPDEMJSGN-UHFFFAOYSA-N 2 2 278.356 1.822 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000703585325 712268612 /nfs/dbraw/zinc/26/86/12/712268612.db2.gz YGWZVIUONLWLPC-GXTWGEPZSA-N 2 2 261.325 1.636 10 5 CDBELP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000703585325 712268614 /nfs/dbraw/zinc/26/86/14/712268614.db2.gz YGWZVIUONLWLPC-GXTWGEPZSA-N 2 2 261.325 1.636 10 5 CDBELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000600678478 342244128 /nfs/dbraw/zinc/24/41/28/342244128.db2.gz QPBVNBIQGSSHBS-NWDGAFQWSA-N 2 2 279.340 1.834 10 5 CDBELP COC[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC[NH2+]1 ZINC000414942050 241474207 /nfs/dbraw/zinc/47/42/07/241474207.db2.gz JNXTZSRVLYXUPL-OAHLLOKOSA-N 2 2 293.367 1.761 10 5 CDBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313363249 260287606 /nfs/dbraw/zinc/28/76/06/260287606.db2.gz VZEWVDPHWXRLGP-BXUZGUMPSA-N 2 2 279.340 1.705 10 5 CDBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313363249 260287608 /nfs/dbraw/zinc/28/76/08/260287608.db2.gz VZEWVDPHWXRLGP-BXUZGUMPSA-N 2 2 279.340 1.705 10 5 CDBELP COc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000600677892 342242027 /nfs/dbraw/zinc/24/20/27/342242027.db2.gz KVNRVZXXVJEWJX-UHFFFAOYSA-N 2 2 295.339 1.201 10 5 CDBELP O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000595890418 343181873 /nfs/dbraw/zinc/18/18/73/343181873.db2.gz DBMJDGYHETWGFR-OAHLLOKOSA-N 2 2 291.351 1.548 10 5 CDBELP O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000595890418 343181874 /nfs/dbraw/zinc/18/18/74/343181874.db2.gz DBMJDGYHETWGFR-OAHLLOKOSA-N 2 2 291.351 1.548 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422938235 374364924 /nfs/dbraw/zinc/36/49/24/374364924.db2.gz HAHBMGBTLURVQG-HUUCEWRRSA-N 2 2 291.351 1.451 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000449389074 374805966 /nfs/dbraw/zinc/80/59/66/374805966.db2.gz BVUDHXRFKNPHJW-HNNXBMFYSA-N 2 2 293.367 1.531 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000449389074 374805969 /nfs/dbraw/zinc/80/59/69/374805969.db2.gz BVUDHXRFKNPHJW-HNNXBMFYSA-N 2 2 293.367 1.531 10 5 CDBELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293834765 375039961 /nfs/dbraw/zinc/03/99/61/375039961.db2.gz SOUDIMAQBOJZKD-JQWIXIFHSA-N 2 2 278.356 1.922 10 5 CDBELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293834765 375039967 /nfs/dbraw/zinc/03/99/67/375039967.db2.gz SOUDIMAQBOJZKD-JQWIXIFHSA-N 2 2 278.356 1.922 10 5 CDBELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000040639145 174363752 /nfs/dbraw/zinc/36/37/52/174363752.db2.gz UJFHACCRKUIICG-UHFFFAOYSA-N 2 2 250.258 1.254 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281866 342624238 /nfs/dbraw/zinc/62/42/38/342624238.db2.gz PZCIFDSYHGGDJP-RYUDHWBXSA-N 2 2 267.304 1.693 10 5 CDBELP COc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000596101266 343236082 /nfs/dbraw/zinc/23/60/82/343236082.db2.gz DVUVKBNRISCIAL-UHFFFAOYSA-N 2 2 277.324 1.445 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422938234 374364367 /nfs/dbraw/zinc/36/43/67/374364367.db2.gz HAHBMGBTLURVQG-GJZGRUSLSA-N 2 2 291.351 1.451 10 5 CDBELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000903431221 625989708 /nfs/dbraw/zinc/98/97/08/625989708.db2.gz JJHOYRYFUPWUOJ-YPMHNXCESA-N 2 2 263.341 1.882 10 5 CDBELP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000903431221 625989709 /nfs/dbraw/zinc/98/97/09/625989709.db2.gz JJHOYRYFUPWUOJ-YPMHNXCESA-N 2 2 263.341 1.882 10 5 CDBELP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCOCC1 ZINC000725052337 683364512 /nfs/dbraw/zinc/36/45/12/683364512.db2.gz AQMVEFSKFZMJBZ-UHFFFAOYSA-N 2 2 279.340 1.535 10 5 CDBELP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCOCC1 ZINC000725052337 683364516 /nfs/dbraw/zinc/36/45/16/683364516.db2.gz AQMVEFSKFZMJBZ-UHFFFAOYSA-N 2 2 279.340 1.535 10 5 CDBELP C[N@@H+]1C[C@]2(C)C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000823755741 925724944 /nfs/dbraw/zinc/72/49/44/925724944.db2.gz XGVIHONEYLMFLR-OKILXGFUSA-N 2 2 293.371 1.065 10 5 CDBELP C[N@H+]1C[C@]2(C)C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000823755741 925724948 /nfs/dbraw/zinc/72/49/48/925724948.db2.gz XGVIHONEYLMFLR-OKILXGFUSA-N 2 2 293.371 1.065 10 5 CDBELP C[NH+]1C[C@]2(C)C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000823755741 925724952 /nfs/dbraw/zinc/72/49/52/925724952.db2.gz XGVIHONEYLMFLR-OKILXGFUSA-N 2 2 293.371 1.065 10 5 CDBELP C[NH+]1C[C@]2(C)C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000823755741 925724958 /nfs/dbraw/zinc/72/49/58/925724958.db2.gz XGVIHONEYLMFLR-OKILXGFUSA-N 2 2 293.371 1.065 10 5 CDBELP Cn1cc[nH+]c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289905305 361894967 /nfs/dbraw/zinc/89/49/67/361894967.db2.gz USTQZTNXAQOKKD-UHFFFAOYSA-N 2 2 275.312 1.294 10 5 CDBELP COc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358014251 391941352 /nfs/dbraw/zinc/94/13/52/391941352.db2.gz BWBWSSRCCTXVJY-JQWIXIFHSA-N 2 2 279.340 1.643 10 5 CDBELP COc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358014251 391941356 /nfs/dbraw/zinc/94/13/56/391941356.db2.gz BWBWSSRCCTXVJY-JQWIXIFHSA-N 2 2 279.340 1.643 10 5 CDBELP C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000601326223 342553798 /nfs/dbraw/zinc/55/37/98/342553798.db2.gz KVESCHTZOAYSJF-NXEZZACHSA-N 2 2 290.323 1.763 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH3+] ZINC000601326223 342553799 /nfs/dbraw/zinc/55/37/99/342553799.db2.gz KVESCHTZOAYSJF-NXEZZACHSA-N 2 2 290.323 1.763 10 5 CDBELP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593724874 342829376 /nfs/dbraw/zinc/82/93/76/342829376.db2.gz AKBDDVIUQWXCTN-ZDUSSCGKSA-N 2 2 267.329 1.763 10 5 CDBELP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]21 ZINC000593727992 342829792 /nfs/dbraw/zinc/82/97/92/342829792.db2.gz UKAFCCCVIHSOED-ZLKJLUDKSA-N 2 2 291.351 1.860 10 5 CDBELP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]21 ZINC000593727992 342829793 /nfs/dbraw/zinc/82/97/93/342829793.db2.gz UKAFCCCVIHSOED-ZLKJLUDKSA-N 2 2 291.351 1.860 10 5 CDBELP C[NH2+]CCOCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000600728319 342245460 /nfs/dbraw/zinc/24/54/60/342245460.db2.gz OWJIIMKVOIHWER-UHFFFAOYSA-N 2 2 273.358 1.324 10 5 CDBELP C[NH2+]CCOCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000600728319 342245461 /nfs/dbraw/zinc/24/54/61/342245461.db2.gz OWJIIMKVOIHWER-UHFFFAOYSA-N 2 2 273.358 1.324 10 5 CDBELP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1NN)C[C@@H]1CC[NH+](C)C1 ZINC000071191167 176070091 /nfs/dbraw/zinc/07/00/91/176070091.db2.gz VWPIEYBCLSYUFM-LLVKDONJSA-N 2 2 293.371 1.264 10 5 CDBELP C[N@H+](Cc1cc([N+](=O)[O-])ccc1NN)C[C@@H]1CC[NH+](C)C1 ZINC000071191167 176070092 /nfs/dbraw/zinc/07/00/92/176070092.db2.gz VWPIEYBCLSYUFM-LLVKDONJSA-N 2 2 293.371 1.264 10 5 CDBELP C[NH+](Cc1cc([N+](=O)[O-])ccc1NN)C[C@@H]1CC[N@H+](C)C1 ZINC000071191167 176070093 /nfs/dbraw/zinc/07/00/93/176070093.db2.gz VWPIEYBCLSYUFM-LLVKDONJSA-N 2 2 293.371 1.264 10 5 CDBELP C[NH+](Cc1cc([N+](=O)[O-])ccc1NN)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191167 176070094 /nfs/dbraw/zinc/07/00/94/176070094.db2.gz VWPIEYBCLSYUFM-LLVKDONJSA-N 2 2 293.371 1.264 10 5 CDBELP COc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000313308808 280624021 /nfs/dbraw/zinc/62/40/21/280624021.db2.gz VANXRTSZUAHZAP-UHFFFAOYSA-N 2 2 290.323 1.669 10 5 CDBELP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926336 520736911 /nfs/dbraw/zinc/73/69/11/520736911.db2.gz TUPRJWWTTFOUPN-CQSZACIVSA-N 2 2 281.356 1.387 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1F ZINC000052304428 527198712 /nfs/dbraw/zinc/19/87/12/527198712.db2.gz PIQFRISIBMYMOT-UHFFFAOYSA-N 2 2 250.233 1.421 10 5 CDBELP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000040600699 174351079 /nfs/dbraw/zinc/35/10/79/174351079.db2.gz PKHZMHKBZKEYGC-SNVBAGLBSA-N 2 2 253.302 1.619 10 5 CDBELP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000040600699 174351081 /nfs/dbraw/zinc/35/10/81/174351081.db2.gz PKHZMHKBZKEYGC-SNVBAGLBSA-N 2 2 253.302 1.619 10 5 CDBELP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000062726516 527398993 /nfs/dbraw/zinc/39/89/93/527398993.db2.gz KKYLFBCHILCBNO-ZDUSSCGKSA-N 2 2 275.352 1.964 10 5 CDBELP O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000062726516 527398985 /nfs/dbraw/zinc/39/89/85/527398985.db2.gz KKYLFBCHILCBNO-ZDUSSCGKSA-N 2 2 275.352 1.964 10 5 CDBELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000389453650 362466299 /nfs/dbraw/zinc/46/62/99/362466299.db2.gz QVGGAOYALILABG-GFCCVEGCSA-N 2 2 279.340 1.787 10 5 CDBELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000389453650 362466307 /nfs/dbraw/zinc/46/63/07/362466307.db2.gz QVGGAOYALILABG-GFCCVEGCSA-N 2 2 279.340 1.787 10 5 CDBELP O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1-n1cc[nH+]c1 ZINC000040586502 174345781 /nfs/dbraw/zinc/34/57/81/174345781.db2.gz HGNXDZXOIFRGKA-UHFFFAOYSA-N 2 2 283.251 1.709 10 5 CDBELP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000923399492 923808163 /nfs/dbraw/zinc/80/81/63/923808163.db2.gz QIVLAJTVPAICCO-KBPBESRZSA-N 2 2 291.351 1.502 10 5 CDBELP C[NH+](C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000140193393 342434225 /nfs/dbraw/zinc/43/42/25/342434225.db2.gz ROEQKSQCSMCVDP-UHFFFAOYSA-N 2 2 251.330 1.978 10 5 CDBELP C[NH+](C)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000140193393 342434226 /nfs/dbraw/zinc/43/42/26/342434226.db2.gz ROEQKSQCSMCVDP-UHFFFAOYSA-N 2 2 251.330 1.978 10 5 CDBELP O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000599029922 343942387 /nfs/dbraw/zinc/94/23/87/343942387.db2.gz CMQZGRMZYIPMHA-TXEJJXNPSA-N 2 2 284.319 1.799 10 5 CDBELP Cc1c(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358311476 360949387 /nfs/dbraw/zinc/94/93/87/360949387.db2.gz PGUUYKVSZGWIKN-MFKMUULPSA-N 2 2 263.341 1.943 10 5 CDBELP Cc1c(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358311476 360949392 /nfs/dbraw/zinc/94/93/92/360949392.db2.gz PGUUYKVSZGWIKN-MFKMUULPSA-N 2 2 263.341 1.943 10 5 CDBELP C[C@H]1C[C@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000174873672 379601526 /nfs/dbraw/zinc/60/15/26/379601526.db2.gz HCOFDJRUKPMOBE-NWDGAFQWSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@H]1C[C@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000174873672 379601530 /nfs/dbraw/zinc/60/15/30/379601530.db2.gz HCOFDJRUKPMOBE-NWDGAFQWSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC[NH+]1C ZINC000174873672 379601535 /nfs/dbraw/zinc/60/15/35/379601535.db2.gz HCOFDJRUKPMOBE-NWDGAFQWSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC[NH+]1C ZINC000174873672 379601537 /nfs/dbraw/zinc/60/15/37/379601537.db2.gz HCOFDJRUKPMOBE-NWDGAFQWSA-N 2 2 281.360 1.206 10 5 CDBELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])o1 ZINC000040750288 174394843 /nfs/dbraw/zinc/39/48/43/174394843.db2.gz KFIMLRGKFUAJNN-PBINXNQUSA-N 2 2 251.286 1.642 10 5 CDBELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])o1 ZINC000040750288 174394845 /nfs/dbraw/zinc/39/48/45/174394845.db2.gz KFIMLRGKFUAJNN-PBINXNQUSA-N 2 2 251.286 1.642 10 5 CDBELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000600681772 342242355 /nfs/dbraw/zinc/24/23/55/342242355.db2.gz JRLQIIBBGKZKMN-BNHDAMHGSA-N 2 2 261.325 1.948 10 5 CDBELP O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044721398 175237039 /nfs/dbraw/zinc/23/70/39/175237039.db2.gz KWTSRFRZFGVCEF-LBPRGKRZSA-N 2 2 291.351 1.800 10 5 CDBELP O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044721398 175237040 /nfs/dbraw/zinc/23/70/40/175237040.db2.gz KWTSRFRZFGVCEF-LBPRGKRZSA-N 2 2 291.351 1.800 10 5 CDBELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537968224 282392032 /nfs/dbraw/zinc/39/20/32/282392032.db2.gz VIGKVDJYIUPTCO-FZMZJTMJSA-N 2 2 279.340 1.513 10 5 CDBELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537968224 282392035 /nfs/dbraw/zinc/39/20/35/282392035.db2.gz VIGKVDJYIUPTCO-FZMZJTMJSA-N 2 2 279.340 1.513 10 5 CDBELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293834769 375039782 /nfs/dbraw/zinc/03/97/82/375039782.db2.gz SOUDIMAQBOJZKD-PWSUYJOCSA-N 2 2 278.356 1.922 10 5 CDBELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293834769 375039786 /nfs/dbraw/zinc/03/97/86/375039786.db2.gz SOUDIMAQBOJZKD-PWSUYJOCSA-N 2 2 278.356 1.922 10 5 CDBELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000062802756 524999744 /nfs/dbraw/zinc/99/97/44/524999744.db2.gz BYECQAJFHFQYBN-SECBINFHSA-N 2 2 278.287 1.868 10 5 CDBELP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724967 342829496 /nfs/dbraw/zinc/82/94/96/342829496.db2.gz CWNCHMXGHGLFDK-GHMZBOCLSA-N 2 2 279.340 1.860 10 5 CDBELP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724967 342829497 /nfs/dbraw/zinc/82/94/97/342829497.db2.gz CWNCHMXGHGLFDK-GHMZBOCLSA-N 2 2 279.340 1.860 10 5 CDBELP COc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000571344894 359567539 /nfs/dbraw/zinc/56/75/39/359567539.db2.gz MQULHMSGFYNEMA-UHFFFAOYSA-N 2 2 279.340 1.786 10 5 CDBELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]12 ZINC000261868873 741549161 /nfs/dbraw/zinc/54/91/61/741549161.db2.gz YRYGFXSODIUOMG-JIMOISOXSA-N 2 2 279.315 1.903 10 5 CDBELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]12 ZINC000261868873 741549165 /nfs/dbraw/zinc/54/91/65/741549165.db2.gz YRYGFXSODIUOMG-JIMOISOXSA-N 2 2 279.315 1.903 10 5 CDBELP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727658 342829592 /nfs/dbraw/zinc/82/95/92/342829592.db2.gz PKYXWJBDTSYXPX-UWVGGRQHSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593727658 342829593 /nfs/dbraw/zinc/82/95/93/342829593.db2.gz PKYXWJBDTSYXPX-UWVGGRQHSA-N 2 2 265.313 1.470 10 5 CDBELP CCO[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405299696 345420929 /nfs/dbraw/zinc/42/09/29/345420929.db2.gz MXEMDJNJDLQIBG-TZMCWYRMSA-N 2 2 279.340 1.390 10 5 CDBELP CCO[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405299696 345420932 /nfs/dbraw/zinc/42/09/32/345420932.db2.gz MXEMDJNJDLQIBG-TZMCWYRMSA-N 2 2 279.340 1.390 10 5 CDBELP Nc1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000488155136 392528783 /nfs/dbraw/zinc/52/87/83/392528783.db2.gz XEXMNIXMZHELPG-UHFFFAOYSA-N 2 2 285.307 1.356 10 5 CDBELP Nc1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000488155136 392528787 /nfs/dbraw/zinc/52/87/87/392528787.db2.gz XEXMNIXMZHELPG-UHFFFAOYSA-N 2 2 285.307 1.356 10 5 CDBELP Cc1cc(N2CC[N@@H+](C)C[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000313017685 316013316 /nfs/dbraw/zinc/01/33/16/316013316.db2.gz CRWYIKFHDZUCCX-SNVBAGLBSA-N 2 2 282.319 1.121 10 5 CDBELP Cc1cc(N2CC[N@H+](C)C[C@H]2C[NH3+])c(F)cc1[N+](=O)[O-] ZINC000313017685 316013318 /nfs/dbraw/zinc/01/33/18/316013318.db2.gz CRWYIKFHDZUCCX-SNVBAGLBSA-N 2 2 282.319 1.121 10 5 CDBELP COc1cc(C[NH2+]C2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1O ZINC000569378618 316774364 /nfs/dbraw/zinc/77/43/64/316774364.db2.gz XETLYOGMVUXTQU-UHFFFAOYSA-N 2 2 295.339 1.491 10 5 CDBELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000062802777 524836511 /nfs/dbraw/zinc/83/65/11/524836511.db2.gz JTTZOXJNZCWHKB-JTQLQIEISA-N 2 2 260.297 1.729 10 5 CDBELP CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000593727247 342829580 /nfs/dbraw/zinc/82/95/80/342829580.db2.gz HATYEPJPHTWOSV-GWCFXTLKSA-N 2 2 279.340 1.860 10 5 CDBELP CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000593727247 342829582 /nfs/dbraw/zinc/82/95/82/342829582.db2.gz HATYEPJPHTWOSV-GWCFXTLKSA-N 2 2 279.340 1.860 10 5 CDBELP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593924345 342852212 /nfs/dbraw/zinc/85/22/12/342852212.db2.gz MKKHTOTXAVHRDL-MWLCHTKSSA-N 2 2 265.313 1.612 10 5 CDBELP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593924345 342852215 /nfs/dbraw/zinc/85/22/15/342852215.db2.gz MKKHTOTXAVHRDL-MWLCHTKSSA-N 2 2 265.313 1.612 10 5 CDBELP CCOc1cc(N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000250624068 344048680 /nfs/dbraw/zinc/04/86/80/344048680.db2.gz BGZABCWXYOXEOA-GFCCVEGCSA-N 2 2 294.355 1.073 10 5 CDBELP CCOc1cc(N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000250624068 344048683 /nfs/dbraw/zinc/04/86/83/344048683.db2.gz BGZABCWXYOXEOA-GFCCVEGCSA-N 2 2 294.355 1.073 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415106097 391032031 /nfs/dbraw/zinc/03/20/31/391032031.db2.gz JEBWAYMJHUJHBY-AWEZNQCLSA-N 2 2 279.340 1.453 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415106097 391032034 /nfs/dbraw/zinc/03/20/34/391032034.db2.gz JEBWAYMJHUJHBY-AWEZNQCLSA-N 2 2 279.340 1.453 10 5 CDBELP Cn1c[nH+]c(CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000313290874 260278903 /nfs/dbraw/zinc/27/89/03/260278903.db2.gz FWYZMDKRZQKAQR-UHFFFAOYSA-N 2 2 266.326 1.722 10 5 CDBELP CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000593727250 342829676 /nfs/dbraw/zinc/82/96/76/342829676.db2.gz HATYEPJPHTWOSV-ZWNOBZJWSA-N 2 2 279.340 1.860 10 5 CDBELP CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000593727250 342829677 /nfs/dbraw/zinc/82/96/77/342829677.db2.gz HATYEPJPHTWOSV-ZWNOBZJWSA-N 2 2 279.340 1.860 10 5 CDBELP C[N@H+](CCOCC[NH3+])Cc1csc([N+](=O)[O-])c1 ZINC000600734617 342246066 /nfs/dbraw/zinc/24/60/66/342246066.db2.gz IAXARDIFAFHEGN-UHFFFAOYSA-N 2 2 259.331 1.063 10 5 CDBELP C[N@@H+](CCOCC[NH3+])Cc1csc([N+](=O)[O-])c1 ZINC000600734617 342246067 /nfs/dbraw/zinc/24/60/67/342246067.db2.gz IAXARDIFAFHEGN-UHFFFAOYSA-N 2 2 259.331 1.063 10 5 CDBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855766 186195266 /nfs/dbraw/zinc/19/52/66/186195266.db2.gz LJXWNNWJSHDXAC-RTXFEEFZSA-N 2 2 261.325 1.807 10 5 CDBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855766 186195267 /nfs/dbraw/zinc/19/52/67/186195267.db2.gz LJXWNNWJSHDXAC-RTXFEEFZSA-N 2 2 261.325 1.807 10 5 CDBELP O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422945816 374363772 /nfs/dbraw/zinc/36/37/72/374363772.db2.gz NZNKMDMHKNBNSE-GJZGRUSLSA-N 2 2 291.351 1.451 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261594914 140360580 /nfs/dbraw/zinc/36/05/80/140360580.db2.gz NVDQPEFDLQNDMV-QWHCGFSZSA-N 2 2 261.325 1.636 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261594914 140360581 /nfs/dbraw/zinc/36/05/81/140360581.db2.gz NVDQPEFDLQNDMV-QWHCGFSZSA-N 2 2 261.325 1.636 10 5 CDBELP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000714029124 757085182 /nfs/dbraw/zinc/08/51/82/757085182.db2.gz KPKKTVYAKBLVHC-DZGCQCFKSA-N 2 2 275.352 1.945 10 5 CDBELP Cc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000714029124 757085193 /nfs/dbraw/zinc/08/51/93/757085193.db2.gz KPKKTVYAKBLVHC-DZGCQCFKSA-N 2 2 275.352 1.945 10 5 CDBELP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593725925 342829193 /nfs/dbraw/zinc/82/91/93/342829193.db2.gz ZMRASTKFYMOHFK-SNVBAGLBSA-N 2 2 265.313 1.342 10 5 CDBELP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593725925 342829194 /nfs/dbraw/zinc/82/91/94/342829194.db2.gz ZMRASTKFYMOHFK-SNVBAGLBSA-N 2 2 265.313 1.342 10 5 CDBELP C[C@H]([NH3+])C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593725715 342829289 /nfs/dbraw/zinc/82/92/89/342829289.db2.gz UDIBEWVGONSHDX-JTQLQIEISA-N 2 2 279.340 1.860 10 5 CDBELP O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000599029921 343942300 /nfs/dbraw/zinc/94/23/00/343942300.db2.gz CMQZGRMZYIPMHA-RYUDHWBXSA-N 2 2 284.319 1.799 10 5 CDBELP Cn1cc[nH+]c1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000040638902 174362826 /nfs/dbraw/zinc/36/28/26/174362826.db2.gz FJECUOHOQHGNRR-UHFFFAOYSA-N 2 2 260.297 1.661 10 5 CDBELP C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000601327544 342554175 /nfs/dbraw/zinc/55/41/75/342554175.db2.gz WKPXCXXCDQMDNZ-WCBMZHEXSA-N 2 2 255.343 1.683 10 5 CDBELP C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000601327544 342554176 /nfs/dbraw/zinc/55/41/76/342554176.db2.gz WKPXCXXCDQMDNZ-WCBMZHEXSA-N 2 2 255.343 1.683 10 5 CDBELP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968795 779670423 /nfs/dbraw/zinc/67/04/23/779670423.db2.gz MRLGSZZZFZQFMO-NRUUGDAUSA-N 2 2 278.356 1.826 10 5 CDBELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000420361467 244143630 /nfs/dbraw/zinc/14/36/30/244143630.db2.gz XWRBRYUQDFOXIY-GWCFXTLKSA-N 2 2 265.313 1.395 10 5 CDBELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000420361467 244143635 /nfs/dbraw/zinc/14/36/35/244143635.db2.gz XWRBRYUQDFOXIY-GWCFXTLKSA-N 2 2 265.313 1.395 10 5 CDBELP Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000872230951 1165400270 /nfs/dbraw/zinc/40/02/70/1165400270.db2.gz AUHHREHHJBGSEF-AWEZNQCLSA-N 2 2 293.367 1.448 10 5 CDBELP Cc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000872230951 1165400274 /nfs/dbraw/zinc/40/02/74/1165400274.db2.gz AUHHREHHJBGSEF-AWEZNQCLSA-N 2 2 293.367 1.448 10 5 CDBELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344605014 365525723 /nfs/dbraw/zinc/52/57/23/365525723.db2.gz MKBUWXYCDHDTDK-YPMHNXCESA-N 2 2 263.341 1.677 10 5 CDBELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344605014 365525730 /nfs/dbraw/zinc/52/57/30/365525730.db2.gz MKBUWXYCDHDTDK-YPMHNXCESA-N 2 2 263.341 1.677 10 5 CDBELP O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000595890416 343181468 /nfs/dbraw/zinc/18/14/68/343181468.db2.gz DBMJDGYHETWGFR-HNNXBMFYSA-N 2 2 291.351 1.548 10 5 CDBELP O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000595890416 343181470 /nfs/dbraw/zinc/18/14/70/343181470.db2.gz DBMJDGYHETWGFR-HNNXBMFYSA-N 2 2 291.351 1.548 10 5 CDBELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000610420420 346276421 /nfs/dbraw/zinc/27/64/21/346276421.db2.gz ZKQGEDQNXDVLBE-QWHCGFSZSA-N 2 2 293.367 1.702 10 5 CDBELP O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422638987 245148135 /nfs/dbraw/zinc/14/81/35/245148135.db2.gz RXMRFBWOISLHFF-UHFFFAOYSA-N 2 2 291.351 1.802 10 5 CDBELP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261738771 140383022 /nfs/dbraw/zinc/38/30/22/140383022.db2.gz LVHKBJVHWIWFKA-JQWIXIFHSA-N 2 2 279.315 1.775 10 5 CDBELP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261738771 140383024 /nfs/dbraw/zinc/38/30/24/140383024.db2.gz LVHKBJVHWIWFKA-JQWIXIFHSA-N 2 2 279.315 1.775 10 5 CDBELP Cn1c[nH+]c(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000313303498 260280244 /nfs/dbraw/zinc/28/02/44/260280244.db2.gz QZPZNOCSMQONDS-UHFFFAOYSA-N 2 2 260.297 1.661 10 5 CDBELP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261738775 275035885 /nfs/dbraw/zinc/03/58/85/275035885.db2.gz LVHKBJVHWIWFKA-PWSUYJOCSA-N 2 2 279.315 1.775 10 5 CDBELP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261738775 275035886 /nfs/dbraw/zinc/03/58/86/275035886.db2.gz LVHKBJVHWIWFKA-PWSUYJOCSA-N 2 2 279.315 1.775 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333900 342554943 /nfs/dbraw/zinc/55/49/43/342554943.db2.gz IFHNGXGTQDECEG-SMDDNHRTSA-N 2 2 291.351 1.874 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333900 342554944 /nfs/dbraw/zinc/55/49/44/342554944.db2.gz IFHNGXGTQDECEG-SMDDNHRTSA-N 2 2 291.351 1.874 10 5 CDBELP C[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226622814 346521615 /nfs/dbraw/zinc/52/16/15/346521615.db2.gz FFLZSVVERYHLDE-JTQLQIEISA-N 2 2 284.747 1.327 10 5 CDBELP C[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226622814 346521617 /nfs/dbraw/zinc/52/16/17/346521617.db2.gz FFLZSVVERYHLDE-JTQLQIEISA-N 2 2 284.747 1.327 10 5 CDBELP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193615605 375878331 /nfs/dbraw/zinc/87/83/31/375878331.db2.gz NIMOUHPOZOLTSB-GUTXKFCHSA-N 2 2 291.351 1.122 10 5 CDBELP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193615605 375878337 /nfs/dbraw/zinc/87/83/37/375878337.db2.gz NIMOUHPOZOLTSB-GUTXKFCHSA-N 2 2 291.351 1.122 10 5 CDBELP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193615605 375878344 /nfs/dbraw/zinc/87/83/44/375878344.db2.gz NIMOUHPOZOLTSB-GUTXKFCHSA-N 2 2 291.351 1.122 10 5 CDBELP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000193615605 375878353 /nfs/dbraw/zinc/87/83/53/375878353.db2.gz NIMOUHPOZOLTSB-GUTXKFCHSA-N 2 2 291.351 1.122 10 5 CDBELP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000903964038 626170930 /nfs/dbraw/zinc/17/09/30/626170930.db2.gz FYLUCDAEPZSMAB-KOLCDFICSA-N 2 2 267.304 1.679 10 5 CDBELP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000044530506 175195031 /nfs/dbraw/zinc/19/50/31/175195031.db2.gz SAQMNBLFSGQMSS-LLVKDONJSA-N 2 2 292.339 1.204 10 5 CDBELP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000044530506 175195032 /nfs/dbraw/zinc/19/50/32/175195032.db2.gz SAQMNBLFSGQMSS-LLVKDONJSA-N 2 2 292.339 1.204 10 5 CDBELP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955129 626166650 /nfs/dbraw/zinc/16/66/50/626166650.db2.gz KZCWMKQBCCYLNF-NSHDSACASA-N 2 2 285.294 1.929 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955271 626167061 /nfs/dbraw/zinc/16/70/61/626167061.db2.gz ODSRJHRWYSIPSP-NSHDSACASA-N 2 2 285.294 1.929 10 5 CDBELP Cc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000313266674 260273913 /nfs/dbraw/zinc/27/39/13/260273913.db2.gz SIJIZJQVUZRORM-UHFFFAOYSA-N 2 2 274.324 1.969 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1ccc2scnc2c1[N+](=O)[O-] ZINC000052304489 527199380 /nfs/dbraw/zinc/19/93/80/527199380.db2.gz WCYDZMBQJJJHNZ-UHFFFAOYSA-N 2 2 289.320 1.891 10 5 CDBELP Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000721988656 814064107 /nfs/dbraw/zinc/06/41/07/814064107.db2.gz ZHIRGOBXCZTFCP-UHFFFAOYSA-N 2 2 279.344 1.133 10 5 CDBELP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593725924 342829215 /nfs/dbraw/zinc/82/92/15/342829215.db2.gz ZMRASTKFYMOHFK-JTQLQIEISA-N 2 2 265.313 1.342 10 5 CDBELP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593725924 342829216 /nfs/dbraw/zinc/82/92/16/342829216.db2.gz ZMRASTKFYMOHFK-JTQLQIEISA-N 2 2 265.313 1.342 10 5 CDBELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000340107413 359560978 /nfs/dbraw/zinc/56/09/78/359560978.db2.gz DITDZAFAOUOZKN-RISCZKNCSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000340107413 359560982 /nfs/dbraw/zinc/56/09/82/359560982.db2.gz DITDZAFAOUOZKN-RISCZKNCSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000062802755 524837180 /nfs/dbraw/zinc/83/71/80/524837180.db2.gz BYECQAJFHFQYBN-VIFPVBQESA-N 2 2 278.287 1.868 10 5 CDBELP [NH3+]CCc1[nH+]ccn1-c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000052304416 527198741 /nfs/dbraw/zinc/19/87/41/527198741.db2.gz NAYVBTZPELZQEM-UHFFFAOYSA-N 2 2 290.279 1.053 10 5 CDBELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344605011 365525628 /nfs/dbraw/zinc/52/56/28/365525628.db2.gz MKBUWXYCDHDTDK-AAEUAGOBSA-N 2 2 263.341 1.677 10 5 CDBELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344605011 365525635 /nfs/dbraw/zinc/52/56/35/365525635.db2.gz MKBUWXYCDHDTDK-AAEUAGOBSA-N 2 2 263.341 1.677 10 5 CDBELP [NH3+]CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593725556 342829309 /nfs/dbraw/zinc/82/93/09/342829309.db2.gz PQNKBUMSNXCMLN-UHFFFAOYSA-N 2 2 265.313 1.471 10 5 CDBELP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449390296 374806460 /nfs/dbraw/zinc/80/64/60/374806460.db2.gz GETOCAARHDALMO-AWEZNQCLSA-N 2 2 293.367 1.531 10 5 CDBELP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449390296 374806464 /nfs/dbraw/zinc/80/64/64/374806464.db2.gz GETOCAARHDALMO-AWEZNQCLSA-N 2 2 293.367 1.531 10 5 CDBELP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596102418 343227573 /nfs/dbraw/zinc/22/75/73/343227573.db2.gz IKZBLZXURJFVSW-HWKANZROSA-N 2 2 273.336 1.950 10 5 CDBELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537968225 282392077 /nfs/dbraw/zinc/39/20/77/282392077.db2.gz VIGKVDJYIUPTCO-RISCZKNCSA-N 2 2 279.340 1.513 10 5 CDBELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537968225 282392083 /nfs/dbraw/zinc/39/20/83/282392083.db2.gz VIGKVDJYIUPTCO-RISCZKNCSA-N 2 2 279.340 1.513 10 5 CDBELP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000366996368 364496198 /nfs/dbraw/zinc/49/61/98/364496198.db2.gz NUPDHKLCJVHEFD-TXEJJXNPSA-N 2 2 279.315 1.727 10 5 CDBELP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000366996368 364496205 /nfs/dbraw/zinc/49/62/05/364496205.db2.gz NUPDHKLCJVHEFD-TXEJJXNPSA-N 2 2 279.315 1.727 10 5 CDBELP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000366996368 364496211 /nfs/dbraw/zinc/49/62/11/364496211.db2.gz NUPDHKLCJVHEFD-TXEJJXNPSA-N 2 2 279.315 1.727 10 5 CDBELP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000366996368 364496215 /nfs/dbraw/zinc/49/62/15/364496215.db2.gz NUPDHKLCJVHEFD-TXEJJXNPSA-N 2 2 279.315 1.727 10 5 CDBELP O=[N+]([O-])c1ccn(CC[NH+]2CCC([NH+]3CCCC3)CC2)n1 ZINC000176230667 148030959 /nfs/dbraw/zinc/03/09/59/148030959.db2.gz NBYZFFPTQNLENS-UHFFFAOYSA-N 2 2 293.371 1.352 10 5 CDBELP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817984699 830012030 /nfs/dbraw/zinc/01/20/30/830012030.db2.gz XLGBOSPELZPRRS-CMPLNLGQSA-N 2 2 278.356 1.970 10 5 CDBELP C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000593724931 342829484 /nfs/dbraw/zinc/82/94/84/342829484.db2.gz BVLVDUIYKJWHJW-CABZTGNLSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000593724931 342829485 /nfs/dbraw/zinc/82/94/85/342829485.db2.gz BVLVDUIYKJWHJW-CABZTGNLSA-N 2 2 265.313 1.470 10 5 CDBELP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600679610 342242142 /nfs/dbraw/zinc/24/21/42/342242142.db2.gz ZZLPDXUUPORBBJ-CQSZACIVSA-N 2 2 291.351 1.978 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414923115 370314943 /nfs/dbraw/zinc/31/49/43/370314943.db2.gz GYXCQDRCGJHBDP-IINYFYTJSA-N 2 2 263.341 1.991 10 5 CDBELP C[N@@H+]1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000226057757 366139574 /nfs/dbraw/zinc/13/95/74/366139574.db2.gz NOCQCWAHIHGSRU-AWEZNQCLSA-N 2 2 263.341 1.821 10 5 CDBELP C[N@H+]1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000226057757 366139575 /nfs/dbraw/zinc/13/95/75/366139575.db2.gz NOCQCWAHIHGSRU-AWEZNQCLSA-N 2 2 263.341 1.821 10 5 CDBELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420355494 244133440 /nfs/dbraw/zinc/13/34/40/244133440.db2.gz PSPNDNMIGUUMTL-QWRGUYRKSA-N 2 2 292.339 1.345 10 5 CDBELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420355494 244133443 /nfs/dbraw/zinc/13/34/43/244133443.db2.gz PSPNDNMIGUUMTL-QWRGUYRKSA-N 2 2 292.339 1.345 10 5 CDBELP C[C@@H]1C[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000174873684 379602217 /nfs/dbraw/zinc/60/22/17/379602217.db2.gz HCOFDJRUKPMOBE-NEPJUHHUSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@@H]1C[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000174873684 379602222 /nfs/dbraw/zinc/60/22/22/379602222.db2.gz HCOFDJRUKPMOBE-NEPJUHHUSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC[NH+]1C ZINC000174873684 379602228 /nfs/dbraw/zinc/60/22/28/379602228.db2.gz HCOFDJRUKPMOBE-NEPJUHHUSA-N 2 2 281.360 1.206 10 5 CDBELP C[C@@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC[NH+]1C ZINC000174873684 379602235 /nfs/dbraw/zinc/60/22/35/379602235.db2.gz HCOFDJRUKPMOBE-NEPJUHHUSA-N 2 2 281.360 1.206 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415038483 391248719 /nfs/dbraw/zinc/24/87/19/391248719.db2.gz MEVKTXMINBEJCN-AWEZNQCLSA-N 2 2 279.340 1.371 10 5 CDBELP [NH3+]CCc1[nH+]ccn1CCc1ccccc1[N+](=O)[O-] ZINC000062802708 527198729 /nfs/dbraw/zinc/19/87/29/527198729.db2.gz RRLCSVYSVRUNSH-UHFFFAOYSA-N 2 2 260.297 1.535 10 5 CDBELP Cn1cc[nH+]c1CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726538 527428633 /nfs/dbraw/zinc/42/86/33/527428633.db2.gz JFXIFRPSECAHPX-UHFFFAOYSA-N 2 2 274.324 1.703 10 5 CDBELP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000923399608 697831353 /nfs/dbraw/zinc/83/13/53/697831353.db2.gz QIVLAJTVPAICCO-ZIAGYGMSSA-N 2 2 291.351 1.502 10 5 CDBELP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817984700 698704668 /nfs/dbraw/zinc/70/46/68/698704668.db2.gz XLGBOSPELZPRRS-JQWIXIFHSA-N 2 2 278.356 1.970 10 5 CDBELP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000593969889 342858874 /nfs/dbraw/zinc/85/88/74/342858874.db2.gz FEHDSMSRZSDEBN-GJZGRUSLSA-N 2 2 295.383 1.948 10 5 CDBELP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000593969889 342858875 /nfs/dbraw/zinc/85/88/75/342858875.db2.gz FEHDSMSRZSDEBN-GJZGRUSLSA-N 2 2 295.383 1.948 10 5 CDBELP C[NH+](C)CCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000596425693 343311855 /nfs/dbraw/zinc/31/18/55/343311855.db2.gz VFGBOPQEROFEHB-UHFFFAOYSA-N 2 2 299.350 1.424 10 5 CDBELP C[NH+](C)CCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000596425693 343311856 /nfs/dbraw/zinc/31/18/56/343311856.db2.gz VFGBOPQEROFEHB-UHFFFAOYSA-N 2 2 299.350 1.424 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000449398989 359006177 /nfs/dbraw/zinc/00/61/77/359006177.db2.gz ZJCZJBXDPASJPX-OAHLLOKOSA-N 2 2 293.367 1.531 10 5 CDBELP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449398989 359006182 /nfs/dbraw/zinc/00/61/82/359006182.db2.gz ZJCZJBXDPASJPX-OAHLLOKOSA-N 2 2 293.367 1.531 10 5 CDBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414923366 371105984 /nfs/dbraw/zinc/10/59/84/371105984.db2.gz GYXCQDRCGJHBDP-YGRLFVJLSA-N 2 2 263.341 1.991 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261594915 140359712 /nfs/dbraw/zinc/35/97/12/140359712.db2.gz NVDQPEFDLQNDMV-STQMWFEESA-N 2 2 261.325 1.636 10 5 CDBELP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261594915 140359713 /nfs/dbraw/zinc/35/97/13/140359713.db2.gz NVDQPEFDLQNDMV-STQMWFEESA-N 2 2 261.325 1.636 10 5 CDBELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1 ZINC000062802754 525002106 /nfs/dbraw/zinc/00/21/06/525002106.db2.gz WOBYNOJBMJHJFT-SNVBAGLBSA-N 2 2 260.297 1.729 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333898 342554961 /nfs/dbraw/zinc/55/49/61/342554961.db2.gz IFHNGXGTQDECEG-FZMZJTMJSA-N 2 2 291.351 1.874 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333898 342554962 /nfs/dbraw/zinc/55/49/62/342554962.db2.gz IFHNGXGTQDECEG-FZMZJTMJSA-N 2 2 291.351 1.874 10 5 CDBELP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000593727449 342829607 /nfs/dbraw/zinc/82/96/07/342829607.db2.gz KFWDMNFGGFEFJM-UHFFFAOYSA-N 2 2 291.351 1.876 10 5 CDBELP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596102421 343227871 /nfs/dbraw/zinc/22/78/71/343227871.db2.gz IKZBLZXURJFVSW-HYXAFXHYSA-N 2 2 273.336 1.950 10 5 CDBELP CC(C)C[C@H]([NH3+])C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000414754479 241369180 /nfs/dbraw/zinc/36/91/80/241369180.db2.gz NRZOIJVYZBZADX-LBPRGKRZSA-N 2 2 295.387 1.802 10 5 CDBELP C[C@@]1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC000261930169 279159483 /nfs/dbraw/zinc/15/94/83/279159483.db2.gz CRQWPOUZIXWZRA-OAHLLOKOSA-N 2 2 275.352 1.953 10 5 CDBELP C[C@@]1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]C1 ZINC000261930169 279159486 /nfs/dbraw/zinc/15/94/86/279159486.db2.gz CRQWPOUZIXWZRA-OAHLLOKOSA-N 2 2 275.352 1.953 10 5 CDBELP C[NH+]1C[C@]2(C)C[NH+](CCn3ccc([N+](=O)[O-])n3)C[C@@]2(C)C1 ZINC000931312108 933537783 /nfs/dbraw/zinc/53/77/83/933537783.db2.gz UXWUATRGMWJELZ-ZIAGYGMSSA-N 2 2 293.371 1.065 10 5 CDBELP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000601327197 342554128 /nfs/dbraw/zinc/55/41/28/342554128.db2.gz SIAPMYGUVLIUMH-MWLCHTKSSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH3+] ZINC000601327197 342554129 /nfs/dbraw/zinc/55/41/29/342554129.db2.gz SIAPMYGUVLIUMH-MWLCHTKSSA-N 2 2 267.304 1.761 10 5 CDBELP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728042 342829544 /nfs/dbraw/zinc/82/95/44/342829544.db2.gz XICCUVYIHMVTCA-NXEZZACHSA-N 2 2 265.313 1.470 10 5 CDBELP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593728042 342829545 /nfs/dbraw/zinc/82/95/45/342829545.db2.gz XICCUVYIHMVTCA-NXEZZACHSA-N 2 2 265.313 1.470 10 5 CDBELP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727509 342829641 /nfs/dbraw/zinc/82/96/41/342829641.db2.gz ODHPRVRBGXUKKK-CYBMUJFWSA-N 2 2 279.340 1.778 10 5 CDBELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537968226 282391945 /nfs/dbraw/zinc/39/19/45/282391945.db2.gz VIGKVDJYIUPTCO-SMDDNHRTSA-N 2 2 279.340 1.513 10 5 CDBELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537968226 282391949 /nfs/dbraw/zinc/39/19/49/282391949.db2.gz VIGKVDJYIUPTCO-SMDDNHRTSA-N 2 2 279.340 1.513 10 5 CDBELP C[C@H]([NH3+])Cc1[nH+]ccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000062802879 524836158 /nfs/dbraw/zinc/83/61/58/524836158.db2.gz PFWMTSBVDLAGFI-NSHDSACASA-N 2 2 274.324 1.924 10 5 CDBELP C[NH+]1C[C@@]2(C)C[NH+](CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000823755740 925725036 /nfs/dbraw/zinc/72/50/36/925725036.db2.gz XGVIHONEYLMFLR-KBPBESRZSA-N 2 2 293.371 1.065 10 5 CDBELP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000863646409 929584450 /nfs/dbraw/zinc/58/44/50/929584450.db2.gz SGBNYWXPPNXTLD-UHFFFAOYSA-N 2 2 299.758 1.846 10 5 CDBELP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000414957192 371170548 /nfs/dbraw/zinc/17/05/48/371170548.db2.gz NXCDPLDPNJWJDV-WCBMZHEXSA-N 2 2 255.343 1.744 10 5 CDBELP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903467351 626003098 /nfs/dbraw/zinc/00/30/98/626003098.db2.gz AITBAHAPSLVCGZ-CQSZACIVSA-N 2 2 291.351 1.848 10 5 CDBELP