smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596361593 398394956 /nfs/dbraw/zinc/39/49/56/398394956.db2.gz WDVNVMBQANICFP-AWEZNQCLSA-N 2 1 308.426 2.587 20 5 DFBDMP Cc1ccc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596361593 398394960 /nfs/dbraw/zinc/39/49/60/398394960.db2.gz WDVNVMBQANICFP-AWEZNQCLSA-N 2 1 308.426 2.587 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592424374 398424568 /nfs/dbraw/zinc/42/45/68/398424568.db2.gz MLIHTHAZJQAKHU-HYXAFXHYSA-N 2 1 301.390 2.824 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592424374 398424570 /nfs/dbraw/zinc/42/45/70/398424570.db2.gz MLIHTHAZJQAKHU-HYXAFXHYSA-N 2 1 301.390 2.824 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592494005 398433626 /nfs/dbraw/zinc/43/36/26/398433626.db2.gz YVUDDFKLNBMREP-DLBZAZTESA-N 2 1 317.433 2.849 20 5 DFBDMP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000272634429 210036996 /nfs/dbraw/zinc/03/69/96/210036996.db2.gz NPDNTECENRAJKW-SMDDNHRTSA-N 2 1 311.813 2.863 20 5 DFBDMP C[C@@H]([NH3+])CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414827596 295822900 /nfs/dbraw/zinc/82/29/00/295822900.db2.gz YAMWTHKOYXFUFH-SNVBAGLBSA-N 2 1 306.391 2.545 20 5 DFBDMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414922852 295835429 /nfs/dbraw/zinc/83/54/29/295835429.db2.gz HKZWPPNDEDKQLS-QWRGUYRKSA-N 2 1 315.320 2.556 20 5 DFBDMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414958611 295840804 /nfs/dbraw/zinc/84/08/04/295840804.db2.gz PHCKONYQQQDYQF-DOMZBBRYSA-N 2 1 315.373 2.942 20 5 DFBDMP CN(Cc1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000595481440 398947131 /nfs/dbraw/zinc/94/71/31/398947131.db2.gz FAKIMHUWWNOMEY-YIONKMFJSA-N 2 1 307.369 2.791 20 5 DFBDMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000600683700 399116511 /nfs/dbraw/zinc/11/65/11/399116511.db2.gz XSSLOKXUOSVHBN-SJXGUFTOSA-N 2 1 303.406 2.646 20 5 DFBDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600707129 399120863 /nfs/dbraw/zinc/12/08/63/399120863.db2.gz GUHZOOMECOWUQA-ARFHVFGLSA-N 2 1 303.406 2.646 20 5 DFBDMP C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595905968 399130313 /nfs/dbraw/zinc/13/03/13/399130313.db2.gz YZFZEMPTHZTCOM-HUUCEWRRSA-N 2 1 321.421 2.813 20 5 DFBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000596059976 399158931 /nfs/dbraw/zinc/15/89/31/399158931.db2.gz WSAQMAMFTWTDMU-INIZCTEOSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000596059976 399158936 /nfs/dbraw/zinc/15/89/36/399158936.db2.gz WSAQMAMFTWTDMU-INIZCTEOSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1cccc(C[N@@H+](CCC2CC[NH2+]CC2)C2CC2)c1 ZINC000420371110 296181883 /nfs/dbraw/zinc/18/18/83/296181883.db2.gz ZMXOBEUTHYBYGR-UHFFFAOYSA-N 2 1 303.406 2.949 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342087695 284323203 /nfs/dbraw/zinc/32/32/03/284323203.db2.gz POMDAZXRCLFDQQ-MAZHCROVSA-N 2 1 319.405 2.553 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342087695 284323206 /nfs/dbraw/zinc/32/32/06/284323206.db2.gz POMDAZXRCLFDQQ-MAZHCROVSA-N 2 1 319.405 2.553 20 5 DFBDMP C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000601129664 399235824 /nfs/dbraw/zinc/23/58/24/399235824.db2.gz WEOIOEHGZZUKGW-MEDUHNTESA-N 2 1 300.362 2.529 20 5 DFBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000602022237 399385808 /nfs/dbraw/zinc/38/58/08/399385808.db2.gz SBUIBHINYGYJQP-CHWSQXEVSA-N 2 1 315.373 2.881 20 5 DFBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C[NH3+] ZINC000602021635 399385849 /nfs/dbraw/zinc/38/58/49/399385849.db2.gz QTNQYQQWOOBGJG-OCCSQVGLSA-N 2 1 315.373 2.881 20 5 DFBDMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000159264876 197340779 /nfs/dbraw/zinc/34/07/79/197340779.db2.gz JVKNZHBLJAKVFM-KRWDZBQOSA-N 2 1 317.433 2.990 20 5 DFBDMP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000423091179 296377037 /nfs/dbraw/zinc/37/70/37/296377037.db2.gz WWZOJTNVBCYWAP-GFCCVEGCSA-N 2 1 317.311 2.845 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423383788 296411140 /nfs/dbraw/zinc/41/11/40/296411140.db2.gz FGCVLLZVHGDHBX-SGMGOOAPSA-N 2 1 307.394 2.642 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418609 146067214 /nfs/dbraw/zinc/06/72/14/146067214.db2.gz GQKXFMFDBARYHZ-GJZGRUSLSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418609 146067218 /nfs/dbraw/zinc/06/72/18/146067218.db2.gz GQKXFMFDBARYHZ-GJZGRUSLSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418609 146067222 /nfs/dbraw/zinc/06/72/22/146067222.db2.gz GQKXFMFDBARYHZ-GJZGRUSLSA-N 2 1 321.421 2.636 20 5 DFBDMP C[NH+](C)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434847536 296948059 /nfs/dbraw/zinc/94/80/59/296948059.db2.gz XQMWXGYAFDZDFG-UHFFFAOYSA-N 2 1 318.377 2.510 20 5 DFBDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278856283 268268580 /nfs/dbraw/zinc/26/85/80/268268580.db2.gz VZBWBVVHFZUHCQ-INIZCTEOSA-N 2 1 300.362 2.767 20 5 DFBDMP C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[NH+]1C ZINC000075861160 426087348 /nfs/dbraw/zinc/08/73/48/426087348.db2.gz JDDTVYQBRXNXKL-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[NH+]1C ZINC000075861160 426087351 /nfs/dbraw/zinc/08/73/51/426087351.db2.gz JDDTVYQBRXNXKL-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@@H+]1C ZINC000075861160 426087354 /nfs/dbraw/zinc/08/73/54/426087354.db2.gz JDDTVYQBRXNXKL-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@H+]1C ZINC000075861160 426087356 /nfs/dbraw/zinc/08/73/56/426087356.db2.gz JDDTVYQBRXNXKL-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290504432 426779891 /nfs/dbraw/zinc/77/98/91/426779891.db2.gz PHATXFWXXSKABE-LSDHHAIUSA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290504432 426779892 /nfs/dbraw/zinc/77/98/92/426779892.db2.gz PHATXFWXXSKABE-LSDHHAIUSA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290504432 426779899 /nfs/dbraw/zinc/77/98/99/426779899.db2.gz PHATXFWXXSKABE-LSDHHAIUSA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290504432 426779902 /nfs/dbraw/zinc/77/99/02/426779902.db2.gz PHATXFWXXSKABE-LSDHHAIUSA-N 2 1 319.405 2.520 20 5 DFBDMP Cc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290600948 426802678 /nfs/dbraw/zinc/80/26/78/426802678.db2.gz VWSADGQBQJNFQS-CVEARBPZSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290600948 426802682 /nfs/dbraw/zinc/80/26/82/426802682.db2.gz VWSADGQBQJNFQS-CVEARBPZSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290600948 426802684 /nfs/dbraw/zinc/80/26/84/426802684.db2.gz VWSADGQBQJNFQS-CVEARBPZSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290600948 426802690 /nfs/dbraw/zinc/80/26/90/426802690.db2.gz VWSADGQBQJNFQS-CVEARBPZSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290600948 426802692 /nfs/dbraw/zinc/80/26/92/426802692.db2.gz VWSADGQBQJNFQS-CVEARBPZSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290600959 426803018 /nfs/dbraw/zinc/80/30/18/426803018.db2.gz VWSADGQBQJNFQS-JKSUJKDBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290600959 426803021 /nfs/dbraw/zinc/80/30/21/426803021.db2.gz VWSADGQBQJNFQS-JKSUJKDBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290600959 426803026 /nfs/dbraw/zinc/80/30/26/426803026.db2.gz VWSADGQBQJNFQS-JKSUJKDBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290600959 426803029 /nfs/dbraw/zinc/80/30/29/426803029.db2.gz VWSADGQBQJNFQS-JKSUJKDBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290600959 426803034 /nfs/dbraw/zinc/80/30/34/426803034.db2.gz VWSADGQBQJNFQS-JKSUJKDBSA-N 2 1 303.406 2.819 20 5 DFBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284254384 427166874 /nfs/dbraw/zinc/16/68/74/427166874.db2.gz VVJSULNDQLKIAY-KGLIPLIRSA-N 2 1 320.437 2.948 20 5 DFBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284254390 427167461 /nfs/dbraw/zinc/16/74/61/427167461.db2.gz VVJSULNDQLKIAY-UONOGXRCSA-N 2 1 320.437 2.948 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293660824 427397036 /nfs/dbraw/zinc/39/70/36/427397036.db2.gz NTGFWVSUSBLOLZ-QGZVFWFLSA-N 2 1 303.406 2.821 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293660824 427397039 /nfs/dbraw/zinc/39/70/39/427397039.db2.gz NTGFWVSUSBLOLZ-QGZVFWFLSA-N 2 1 303.406 2.821 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293660824 427397045 /nfs/dbraw/zinc/39/70/45/427397045.db2.gz NTGFWVSUSBLOLZ-QGZVFWFLSA-N 2 1 303.406 2.821 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293660824 427397051 /nfs/dbraw/zinc/39/70/51/427397051.db2.gz NTGFWVSUSBLOLZ-QGZVFWFLSA-N 2 1 303.406 2.821 20 5 DFBDMP CC[N@H+]1CC[C@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000344861885 272378321 /nfs/dbraw/zinc/37/83/21/272378321.db2.gz KGDJHJRVBUFCJC-IHWMJMDHSA-N 2 1 303.406 2.930 20 5 DFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000359455111 427858218 /nfs/dbraw/zinc/85/82/18/427858218.db2.gz CBWPHPOSNUHQFZ-ZIAGYGMSSA-N 2 1 313.357 2.506 20 5 DFBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CC[NH2+]C3)o2)c1 ZINC000414901948 428449699 /nfs/dbraw/zinc/44/96/99/428449699.db2.gz GRCALQBBAREHNG-LBPRGKRZSA-N 2 1 301.346 2.554 20 5 DFBDMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414950734 428468336 /nfs/dbraw/zinc/46/83/36/428468336.db2.gz GKROHYRUDRHTPX-BLLLJJGKSA-N 2 1 315.373 2.942 20 5 DFBDMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039517 428495443 /nfs/dbraw/zinc/49/54/43/428495443.db2.gz JAMCLUGNCKPPTP-HZPDHXFCSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039517 428495447 /nfs/dbraw/zinc/49/54/47/428495447.db2.gz JAMCLUGNCKPPTP-HZPDHXFCSA-N 2 1 303.406 2.867 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354224406 428926057 /nfs/dbraw/zinc/92/60/57/428926057.db2.gz NYSVMDKJYQMKGT-PBHICJAKSA-N 2 1 305.422 2.942 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354224406 428926061 /nfs/dbraw/zinc/92/60/61/428926061.db2.gz NYSVMDKJYQMKGT-PBHICJAKSA-N 2 1 305.422 2.942 20 5 DFBDMP C[C@@H]1C[N@H+]([C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)C[NH3+] ZINC000423514205 429107113 /nfs/dbraw/zinc/10/71/13/429107113.db2.gz SMKVCVLYCWDOFV-OAUYIBNBSA-N 2 1 303.406 2.889 20 5 DFBDMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000424296820 429121059 /nfs/dbraw/zinc/12/10/59/429121059.db2.gz SIMIBVSDYLFVMS-CYBMUJFWSA-N 2 1 319.405 2.567 20 5 DFBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000373028608 275038129 /nfs/dbraw/zinc/03/81/29/275038129.db2.gz KQSQTAXZSHTNCD-CJNGLKHVSA-N 2 1 312.373 2.773 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368104954 429789306 /nfs/dbraw/zinc/78/93/06/429789306.db2.gz MCIWBJIZMVOIBK-TZMCWYRMSA-N 2 1 314.389 2.786 20 5 DFBDMP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)ccc1Cl ZINC000369348637 429927685 /nfs/dbraw/zinc/92/76/85/429927685.db2.gz JPPUUUCAENQFGL-LBPRGKRZSA-N 2 1 320.780 2.797 20 5 DFBDMP Cc1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000562308151 430119053 /nfs/dbraw/zinc/11/90/53/430119053.db2.gz ZEEFVTRYZADQQV-UHFFFAOYSA-N 2 1 303.406 2.867 20 5 DFBDMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000375852291 277171426 /nfs/dbraw/zinc/17/14/26/277171426.db2.gz NKAKOLDVMUNWQT-YESZJQIVSA-N 2 1 303.406 2.600 20 5 DFBDMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000453601736 298103723 /nfs/dbraw/zinc/10/37/23/298103723.db2.gz VLASHJGORQTQHO-UHFFFAOYSA-N 2 1 307.394 2.567 20 5 DFBDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294744514 533985499 /nfs/dbraw/zinc/98/54/99/533985499.db2.gz LOFSAFOAYVWCQL-YUTCNCBUSA-N 2 1 306.410 2.700 20 5 DFBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000592433730 398425252 /nfs/dbraw/zinc/42/52/52/398425252.db2.gz QGLRILFZHUCOCE-UONOGXRCSA-N 2 1 309.435 2.868 20 5 DFBDMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000593317423 398596563 /nfs/dbraw/zinc/59/65/63/398596563.db2.gz JZOVRXMIWCDZNI-UHFFFAOYSA-N 2 1 303.337 2.743 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459726716 299174028 /nfs/dbraw/zinc/17/40/28/299174028.db2.gz GQWXFVTXZQSHBC-AWEZNQCLSA-N 2 1 321.421 2.815 20 5 DFBDMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414958613 295840948 /nfs/dbraw/zinc/84/09/48/295840948.db2.gz PHCKONYQQQDYQF-SWLSCSKDSA-N 2 1 315.373 2.942 20 5 DFBDMP C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCc2[nH+]ccn2C1 ZINC000595444110 398940053 /nfs/dbraw/zinc/94/00/53/398940053.db2.gz KZGCBZZUKFYMDY-LBPRGKRZSA-N 2 1 318.352 2.625 20 5 DFBDMP C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCc2[nH+]ccn2C1 ZINC000595444110 398940055 /nfs/dbraw/zinc/94/00/55/398940055.db2.gz KZGCBZZUKFYMDY-LBPRGKRZSA-N 2 1 318.352 2.625 20 5 DFBDMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000092043255 193145684 /nfs/dbraw/zinc/14/56/84/193145684.db2.gz LLZYSDMWHPURHL-CVEARBPZSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000092043255 193145686 /nfs/dbraw/zinc/14/56/86/193145686.db2.gz LLZYSDMWHPURHL-CVEARBPZSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000092043255 193145688 /nfs/dbraw/zinc/14/56/88/193145688.db2.gz LLZYSDMWHPURHL-CVEARBPZSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000092043255 193145690 /nfs/dbraw/zinc/14/56/90/193145690.db2.gz LLZYSDMWHPURHL-CVEARBPZSA-N 2 1 303.406 2.819 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420395636 296185857 /nfs/dbraw/zinc/18/58/57/296185857.db2.gz LMFFHXIKJIJPQY-RDJZCZTQSA-N 2 1 303.406 2.601 20 5 DFBDMP Cn1ccnc1[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601134851 399237071 /nfs/dbraw/zinc/23/70/71/399237071.db2.gz IQQPGRNKCJOBTP-LBPRGKRZSA-N 2 1 323.356 2.870 20 5 DFBDMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284989326 218250198 /nfs/dbraw/zinc/25/01/98/218250198.db2.gz GKYSPTBFRVSBQN-GFCCVEGCSA-N 2 1 306.410 2.700 20 5 DFBDMP CCC[NH+]1CCC([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000109786865 194285771 /nfs/dbraw/zinc/28/57/71/194285771.db2.gz QQRPQLNKGBEPCE-UHFFFAOYSA-N 2 1 321.421 2.780 20 5 DFBDMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000109786865 194285772 /nfs/dbraw/zinc/28/57/72/194285772.db2.gz QQRPQLNKGBEPCE-UHFFFAOYSA-N 2 1 321.421 2.780 20 5 DFBDMP CC[N@@H+]1C[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000611930158 399545660 /nfs/dbraw/zinc/54/56/60/399545660.db2.gz WWRVJUZEPLGYQK-GTNSWQLSSA-N 2 1 314.389 2.625 20 5 DFBDMP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000159265010 197341443 /nfs/dbraw/zinc/34/14/43/197341443.db2.gz JVKNZHBLJAKVFM-QGZVFWFLSA-N 2 1 317.433 2.990 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289570153 221075096 /nfs/dbraw/zinc/07/50/96/221075096.db2.gz JLNMVFMUSIHYTM-FKEKPDDDSA-N 2 1 303.406 2.960 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289570153 221075098 /nfs/dbraw/zinc/07/50/98/221075098.db2.gz JLNMVFMUSIHYTM-FKEKPDDDSA-N 2 1 303.406 2.960 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289570153 221075099 /nfs/dbraw/zinc/07/50/99/221075099.db2.gz JLNMVFMUSIHYTM-FKEKPDDDSA-N 2 1 303.406 2.960 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289570153 221075101 /nfs/dbraw/zinc/07/51/01/221075101.db2.gz JLNMVFMUSIHYTM-FKEKPDDDSA-N 2 1 303.406 2.960 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418612 146068015 /nfs/dbraw/zinc/06/80/15/146068015.db2.gz GQKXFMFDBARYHZ-LSDHHAIUSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418612 146068017 /nfs/dbraw/zinc/06/80/17/146068017.db2.gz GQKXFMFDBARYHZ-LSDHHAIUSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418612 146068019 /nfs/dbraw/zinc/06/80/19/146068019.db2.gz GQKXFMFDBARYHZ-LSDHHAIUSA-N 2 1 321.421 2.636 20 5 DFBDMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246194971 146128799 /nfs/dbraw/zinc/12/87/99/146128799.db2.gz LLZYSDMWHPURHL-HOTGVXAUSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246194971 146128800 /nfs/dbraw/zinc/12/88/00/146128800.db2.gz LLZYSDMWHPURHL-HOTGVXAUSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000246194971 146128804 /nfs/dbraw/zinc/12/88/04/146128804.db2.gz LLZYSDMWHPURHL-HOTGVXAUSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000246194971 146128806 /nfs/dbraw/zinc/12/88/06/146128806.db2.gz LLZYSDMWHPURHL-HOTGVXAUSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000371403721 150040958 /nfs/dbraw/zinc/04/09/58/150040958.db2.gz WAVCQYKZHPMQPH-ZACQAIPSSA-N 2 1 315.417 2.819 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000175719171 426322816 /nfs/dbraw/zinc/32/28/16/426322816.db2.gz QAIQYJZBJBIRTM-RHSMWYFYSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000175719171 426322818 /nfs/dbraw/zinc/32/28/18/426322818.db2.gz QAIQYJZBJBIRTM-RHSMWYFYSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000175719171 426322820 /nfs/dbraw/zinc/32/28/20/426322820.db2.gz QAIQYJZBJBIRTM-RHSMWYFYSA-N 2 1 321.421 2.636 20 5 DFBDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123749798 426451559 /nfs/dbraw/zinc/45/15/59/426451559.db2.gz TUXZYRFDXNMHPV-ZBFHGGJFSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@@H]1C[C@@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123749798 426451563 /nfs/dbraw/zinc/45/15/63/426451563.db2.gz TUXZYRFDXNMHPV-ZBFHGGJFSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@@H]1C[C@@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123749798 426451566 /nfs/dbraw/zinc/45/15/66/426451566.db2.gz TUXZYRFDXNMHPV-ZBFHGGJFSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@@H]1C[C@@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123749798 426451570 /nfs/dbraw/zinc/45/15/70/426451570.db2.gz TUXZYRFDXNMHPV-ZBFHGGJFSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123749798 426451573 /nfs/dbraw/zinc/45/15/73/426451573.db2.gz TUXZYRFDXNMHPV-ZBFHGGJFSA-N 2 1 321.421 2.778 20 5 DFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293690072 427408779 /nfs/dbraw/zinc/40/87/79/427408779.db2.gz KWNSJVFSBREAOI-NEPJUHHUSA-N 2 1 317.393 2.669 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000271172114 427430994 /nfs/dbraw/zinc/43/09/94/427430994.db2.gz UJUMSGGAWRCHRF-QWHCGFSZSA-N 2 1 309.410 2.984 20 5 DFBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369720942 428045152 /nfs/dbraw/zinc/04/51/52/428045152.db2.gz KVUSZJFYQDHCMH-UHFFFAOYSA-N 2 1 303.406 2.903 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785565 428406034 /nfs/dbraw/zinc/40/60/34/428406034.db2.gz SVEFMANMPCTBDL-VNYDODJDSA-N 2 1 315.417 2.930 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414890198 428447107 /nfs/dbraw/zinc/44/71/07/428447107.db2.gz MFKVBBROYQHTQN-KBMXLJTQSA-N 2 1 303.406 2.648 20 5 DFBDMP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372576253 428465459 /nfs/dbraw/zinc/46/54/59/428465459.db2.gz YBLCATGCUBQNLI-OAHLLOKOSA-N 2 1 314.389 2.528 20 5 DFBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372576253 428465463 /nfs/dbraw/zinc/46/54/63/428465463.db2.gz YBLCATGCUBQNLI-OAHLLOKOSA-N 2 1 314.389 2.528 20 5 DFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000414832502 428428081 /nfs/dbraw/zinc/42/80/81/428428081.db2.gz QOUQDKLBUFGKPQ-CYBMUJFWSA-N 2 1 315.373 2.944 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415037677 428496316 /nfs/dbraw/zinc/49/63/16/428496316.db2.gz HCLOIWQHWHVHFS-RHSMWYFYSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1c(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363662733 428962735 /nfs/dbraw/zinc/96/27/35/428962735.db2.gz WVRORDARPXSYLY-SOLBZPMBSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363662733 428962738 /nfs/dbraw/zinc/96/27/38/428962738.db2.gz WVRORDARPXSYLY-SOLBZPMBSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363662733 428962741 /nfs/dbraw/zinc/96/27/41/428962741.db2.gz WVRORDARPXSYLY-SOLBZPMBSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363662733 428962745 /nfs/dbraw/zinc/96/27/45/428962745.db2.gz WVRORDARPXSYLY-SOLBZPMBSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363662733 428962747 /nfs/dbraw/zinc/96/27/47/428962747.db2.gz WVRORDARPXSYLY-SOLBZPMBSA-N 2 1 315.417 2.819 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000376120226 429061728 /nfs/dbraw/zinc/06/17/28/429061728.db2.gz YDCFYBYPACQPFC-LYKUJDHUSA-N 2 1 312.373 2.657 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449092575 429328236 /nfs/dbraw/zinc/32/82/36/429328236.db2.gz UORJYOAJEJLZPV-FVQBIDKESA-N 2 1 303.406 2.742 20 5 DFBDMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000367553658 429669931 /nfs/dbraw/zinc/66/99/31/429669931.db2.gz QGOKBMBKSFQUSE-IXDOHACOSA-N 2 1 303.406 2.600 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369279626 429922292 /nfs/dbraw/zinc/92/22/92/429922292.db2.gz MKXMYDROHHTIRS-CQSZACIVSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369279626 429922293 /nfs/dbraw/zinc/92/22/93/429922293.db2.gz MKXMYDROHHTIRS-CQSZACIVSA-N 2 1 314.389 2.794 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000530326482 430111324 /nfs/dbraw/zinc/11/13/24/430111324.db2.gz VSVLHDYVJZVELE-IDJPSDCMSA-N 2 1 303.406 2.930 20 5 DFBDMP C[C@H]1CC[N@@H+](CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507158 430633253 /nfs/dbraw/zinc/63/32/53/430633253.db2.gz SCIUIHRQAGFLAV-GUYCJALGSA-N 2 1 303.406 2.904 20 5 DFBDMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423671 302071334 /nfs/dbraw/zinc/07/13/34/302071334.db2.gz OGPHRKAZUYWFOE-CZUORRHYSA-N 2 1 303.406 2.902 20 5 DFBDMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423671 302071337 /nfs/dbraw/zinc/07/13/37/302071337.db2.gz OGPHRKAZUYWFOE-CZUORRHYSA-N 2 1 303.406 2.902 20 5 DFBDMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414950737 295839466 /nfs/dbraw/zinc/83/94/66/295839466.db2.gz GKROHYRUDRHTPX-WBMJQRKESA-N 2 1 315.373 2.942 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000594615328 398833805 /nfs/dbraw/zinc/83/38/05/398833805.db2.gz SLCKJVKZYHKSAM-WFASDCNBSA-N 2 1 312.373 2.631 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000594615327 398833893 /nfs/dbraw/zinc/83/38/93/398833893.db2.gz SLCKJVKZYHKSAM-SWLSCSKDSA-N 2 1 312.373 2.631 20 5 DFBDMP CC(C)c1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000598917935 398892955 /nfs/dbraw/zinc/89/29/55/398892955.db2.gz LTLSGEIYUXTQGU-UHFFFAOYSA-N 2 1 302.378 2.784 20 5 DFBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596058932 399157691 /nfs/dbraw/zinc/15/76/91/399157691.db2.gz LWBPIFYZUMADEV-INIZCTEOSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596058932 399157697 /nfs/dbraw/zinc/15/76/97/399157697.db2.gz LWBPIFYZUMADEV-INIZCTEOSA-N 2 1 303.406 2.806 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342087691 284323152 /nfs/dbraw/zinc/32/31/52/284323152.db2.gz POMDAZXRCLFDQQ-APHBMKBZSA-N 2 1 319.405 2.553 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342087691 284323153 /nfs/dbraw/zinc/32/31/53/284323153.db2.gz POMDAZXRCLFDQQ-APHBMKBZSA-N 2 1 319.405 2.553 20 5 DFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000614772372 399266763 /nfs/dbraw/zinc/26/67/63/399266763.db2.gz XHVAGOVXPQQKPZ-LBPRGKRZSA-N 2 1 318.352 2.625 20 5 DFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000614772372 399266768 /nfs/dbraw/zinc/26/67/68/399266768.db2.gz XHVAGOVXPQQKPZ-LBPRGKRZSA-N 2 1 318.352 2.625 20 5 DFBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000602023565 399386867 /nfs/dbraw/zinc/38/68/67/399386867.db2.gz XTVCEDMZLUOBFN-JSGCOSHPSA-N 2 1 315.373 2.881 20 5 DFBDMP C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1c[nH+]ccc1N ZINC000423041566 296370884 /nfs/dbraw/zinc/37/08/84/296370884.db2.gz JMTIDUPWFSQIEP-JTQLQIEISA-N 2 1 320.780 2.949 20 5 DFBDMP O=[N+]([O-])c1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000602848007 399600329 /nfs/dbraw/zinc/60/03/29/399600329.db2.gz XJXBTMJODVJXTH-UHFFFAOYSA-N 2 1 318.402 2.764 20 5 DFBDMP O=[N+]([O-])c1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000602848007 399600333 /nfs/dbraw/zinc/60/03/33/399600333.db2.gz XJXBTMJODVJXTH-UHFFFAOYSA-N 2 1 318.402 2.764 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262003954 146320994 /nfs/dbraw/zinc/32/09/94/146320994.db2.gz LOFVZLCVCVJUSM-UHFFFAOYSA-N 2 1 319.405 2.569 20 5 DFBDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000076004347 426093054 /nfs/dbraw/zinc/09/30/54/426093054.db2.gz BCOHCDGSNYFBQP-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000076004347 426093056 /nfs/dbraw/zinc/09/30/56/426093056.db2.gz BCOHCDGSNYFBQP-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000136304322 426238980 /nfs/dbraw/zinc/23/89/80/426238980.db2.gz XABUFBCCSYTMCM-UHFFFAOYSA-N 2 1 318.377 2.501 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000136304322 426238984 /nfs/dbraw/zinc/23/89/84/426238984.db2.gz XABUFBCCSYTMCM-UHFFFAOYSA-N 2 1 318.377 2.501 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000153013187 426366189 /nfs/dbraw/zinc/36/61/89/426366189.db2.gz ZSVVRGVSHXLDNQ-KBPBESRZSA-N 2 1 321.421 2.986 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000183393993 427260746 /nfs/dbraw/zinc/26/07/46/427260746.db2.gz QUZXSVTZDUESDL-WBVHZDCISA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000183393993 427260751 /nfs/dbraw/zinc/26/07/51/427260751.db2.gz QUZXSVTZDUESDL-WBVHZDCISA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000183393993 427260756 /nfs/dbraw/zinc/26/07/56/427260756.db2.gz QUZXSVTZDUESDL-WBVHZDCISA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000183393993 427260762 /nfs/dbraw/zinc/26/07/62/427260762.db2.gz QUZXSVTZDUESDL-WBVHZDCISA-N 2 1 303.406 2.819 20 5 DFBDMP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285610615 427288797 /nfs/dbraw/zinc/28/87/97/427288797.db2.gz VTWXRYWBSOTBOG-MZBDJJRSSA-N 2 1 319.405 2.531 20 5 DFBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285610615 427288805 /nfs/dbraw/zinc/28/88/05/427288805.db2.gz VTWXRYWBSOTBOG-MZBDJJRSSA-N 2 1 319.405 2.531 20 5 DFBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285610615 427288810 /nfs/dbraw/zinc/28/88/10/427288810.db2.gz VTWXRYWBSOTBOG-MZBDJJRSSA-N 2 1 319.405 2.531 20 5 DFBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285610615 427288814 /nfs/dbraw/zinc/28/88/14/427288814.db2.gz VTWXRYWBSOTBOG-MZBDJJRSSA-N 2 1 319.405 2.531 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000263651899 427529974 /nfs/dbraw/zinc/52/99/74/427529974.db2.gz DJFTUXWTPJNCSQ-UHFFFAOYSA-N 2 1 318.377 2.678 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000369600770 428013394 /nfs/dbraw/zinc/01/33/94/428013394.db2.gz VKKVGRFUAWAURZ-NXHRZFHOSA-N 2 1 315.417 2.553 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000369600770 428013399 /nfs/dbraw/zinc/01/33/99/428013399.db2.gz VKKVGRFUAWAURZ-NXHRZFHOSA-N 2 1 315.417 2.553 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000369600770 428013402 /nfs/dbraw/zinc/01/34/02/428013402.db2.gz VKKVGRFUAWAURZ-NXHRZFHOSA-N 2 1 315.417 2.553 20 5 DFBDMP C[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682021 428374212 /nfs/dbraw/zinc/37/42/12/428374212.db2.gz XKCFXQMOXWDWIX-KBPBESRZSA-N 2 1 303.406 2.947 20 5 DFBDMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347117913 428453967 /nfs/dbraw/zinc/45/39/67/428453967.db2.gz XKTSVDWJENBOJZ-CYBMUJFWSA-N 2 1 315.373 2.896 20 5 DFBDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347117913 428453971 /nfs/dbraw/zinc/45/39/71/428453971.db2.gz XKTSVDWJENBOJZ-CYBMUJFWSA-N 2 1 315.373 2.896 20 5 DFBDMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347039528 428418739 /nfs/dbraw/zinc/41/87/39/428418739.db2.gz JOOXKEWNPAZYMH-CYBMUJFWSA-N 2 1 315.373 2.896 20 5 DFBDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347039528 428418743 /nfs/dbraw/zinc/41/87/43/428418743.db2.gz JOOXKEWNPAZYMH-CYBMUJFWSA-N 2 1 315.373 2.896 20 5 DFBDMP CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224673 428926011 /nfs/dbraw/zinc/92/60/11/428926011.db2.gz ONELPOLZXUBGQD-HUUCEWRRSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224673 428926014 /nfs/dbraw/zinc/92/60/14/428926014.db2.gz ONELPOLZXUBGQD-HUUCEWRRSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224673 428926019 /nfs/dbraw/zinc/92/60/19/428926019.db2.gz ONELPOLZXUBGQD-HUUCEWRRSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224673 428926023 /nfs/dbraw/zinc/92/60/23/428926023.db2.gz ONELPOLZXUBGQD-HUUCEWRRSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078919 429325612 /nfs/dbraw/zinc/32/56/12/429325612.db2.gz WUMBYSXSWXWOAS-ZBFHGGJFSA-N 2 1 305.422 2.990 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368874044 429899185 /nfs/dbraw/zinc/89/91/85/429899185.db2.gz CAWOZLJRBKNEAK-DBLORFJXSA-N 2 1 301.390 2.824 20 5 DFBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000369366205 429933576 /nfs/dbraw/zinc/93/35/76/429933576.db2.gz LIMQLOAFNLDNSS-LLVKDONJSA-N 2 1 320.780 2.797 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292064152 281022011 /nfs/dbraw/zinc/02/20/11/281022011.db2.gz CXUIZOFSPAASLK-WMLDXEAASA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292064152 281022012 /nfs/dbraw/zinc/02/20/12/281022012.db2.gz CXUIZOFSPAASLK-WMLDXEAASA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292064152 281022013 /nfs/dbraw/zinc/02/20/13/281022013.db2.gz CXUIZOFSPAASLK-WMLDXEAASA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292064152 281022014 /nfs/dbraw/zinc/02/20/14/281022014.db2.gz CXUIZOFSPAASLK-WMLDXEAASA-N 2 1 303.406 2.992 20 5 DFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537907 297307377 /nfs/dbraw/zinc/30/73/77/297307377.db2.gz ZHTFNBWGPYBRTQ-LSDHHAIUSA-N 2 1 323.441 2.595 20 5 DFBDMP CC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000360020998 316573593 /nfs/dbraw/zinc/57/35/93/316573593.db2.gz VNKWINNHERSJCE-ZFWWWQNUSA-N 2 1 300.362 2.847 20 5 DFBDMP Cc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596364253 398394487 /nfs/dbraw/zinc/39/44/87/398394487.db2.gz YZHVDSRDLTVPJP-NSHDSACASA-N 2 1 314.455 2.649 20 5 DFBDMP Cc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596364253 398394489 /nfs/dbraw/zinc/39/44/89/398394489.db2.gz YZHVDSRDLTVPJP-NSHDSACASA-N 2 1 314.455 2.649 20 5 DFBDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248832126 398409542 /nfs/dbraw/zinc/40/95/42/398409542.db2.gz HSZVDQWIEHCDKT-DYVFJYSZSA-N 2 1 303.406 2.904 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433823 398425279 /nfs/dbraw/zinc/42/52/79/398425279.db2.gz YIYVRVAIPGGXQP-GJZGRUSLSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492602 398433459 /nfs/dbraw/zinc/43/34/59/398433459.db2.gz BMVWNVSTESFSOQ-ZIAGYGMSSA-N 2 1 321.396 2.946 20 5 DFBDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292846653 530059362 /nfs/dbraw/zinc/05/93/62/530059362.db2.gz BOMAFSQXKJGAKY-QGZVFWFLSA-N 2 1 303.406 2.555 20 5 DFBDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292846653 530059363 /nfs/dbraw/zinc/05/93/63/530059363.db2.gz BOMAFSQXKJGAKY-QGZVFWFLSA-N 2 1 303.406 2.555 20 5 DFBDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292846653 530059364 /nfs/dbraw/zinc/05/93/64/530059364.db2.gz BOMAFSQXKJGAKY-QGZVFWFLSA-N 2 1 303.406 2.555 20 5 DFBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)o2)c1 ZINC000414838687 295824451 /nfs/dbraw/zinc/82/44/51/295824451.db2.gz XDOKVCRZGWIGSG-ZDUSSCGKSA-N 2 1 315.373 2.944 20 5 DFBDMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414839734 295824637 /nfs/dbraw/zinc/82/46/37/295824637.db2.gz MOFITJIEHKHLKG-GFCCVEGCSA-N 2 1 303.362 2.800 20 5 DFBDMP COc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593646359 398664759 /nfs/dbraw/zinc/66/47/59/398664759.db2.gz NWSYPXJVUUAOIL-UHFFFAOYSA-N 2 1 309.410 2.671 20 5 DFBDMP COc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593646359 398664763 /nfs/dbraw/zinc/66/47/63/398664763.db2.gz NWSYPXJVUUAOIL-UHFFFAOYSA-N 2 1 309.410 2.671 20 5 DFBDMP O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CCc4[nH+]ccn4C3)c2c1 ZINC000591141749 398731086 /nfs/dbraw/zinc/73/10/86/398731086.db2.gz ZACLSTMNMSTOKP-GFCCVEGCSA-N 2 1 309.329 2.766 20 5 DFBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000591577729 398773196 /nfs/dbraw/zinc/77/31/96/398773196.db2.gz CFLIQRGOMGVJRJ-DVJFUJMWSA-N 2 1 301.390 2.845 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594734586 398851009 /nfs/dbraw/zinc/85/10/09/398851009.db2.gz BXWPEIKWZBEHKU-MRXNPFEDSA-N 2 1 303.406 2.806 20 5 DFBDMP C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCn2ccnc2C1 ZINC000595466741 398944534 /nfs/dbraw/zinc/94/45/34/398944534.db2.gz RYAHMHPSWHJEFD-LBPRGKRZSA-N 2 1 318.352 2.625 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600678635 399115593 /nfs/dbraw/zinc/11/55/93/399115593.db2.gz NRJWFIXATPVVRM-CZUORRHYSA-N 2 1 303.406 2.790 20 5 DFBDMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000600683702 399116487 /nfs/dbraw/zinc/11/64/87/399116487.db2.gz XSSLOKXUOSVHBN-UGQVUOCMSA-N 2 1 303.406 2.646 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595901009 399127866 /nfs/dbraw/zinc/12/78/66/399127866.db2.gz RNWCNEPQWQVUFM-QGZVFWFLSA-N 2 1 317.433 2.849 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058387 399158034 /nfs/dbraw/zinc/15/80/34/399158034.db2.gz GOFIMBKEKBJBRJ-OAHLLOKOSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596058387 399158040 /nfs/dbraw/zinc/15/80/40/399158040.db2.gz GOFIMBKEKBJBRJ-OAHLLOKOSA-N 2 1 303.406 2.806 20 5 DFBDMP Cc1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420327980 296176023 /nfs/dbraw/zinc/17/60/23/296176023.db2.gz LZOMHTORAPAJTE-ZBFHGGJFSA-N 2 1 303.406 2.725 20 5 DFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344102 296178074 /nfs/dbraw/zinc/17/80/74/296178074.db2.gz SBTPPPUGXCLPCP-BMFZPTHFSA-N 2 1 303.406 2.977 20 5 DFBDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000596111592 399177049 /nfs/dbraw/zinc/17/70/49/399177049.db2.gz YZONMWJMMVEVPC-GFCCVEGCSA-N 2 1 317.336 2.659 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420396044 296185701 /nfs/dbraw/zinc/18/57/01/296185701.db2.gz LMFFHXIKJIJPQY-WBVHZDCISA-N 2 1 303.406 2.601 20 5 DFBDMP Cc1c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413071 296187981 /nfs/dbraw/zinc/18/79/81/296187981.db2.gz ZNJWRHYAJJIUFT-WMLDXEAASA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413071 296187982 /nfs/dbraw/zinc/18/79/82/296187982.db2.gz ZNJWRHYAJJIUFT-WMLDXEAASA-N 2 1 303.406 2.867 20 5 DFBDMP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000601129662 399235730 /nfs/dbraw/zinc/23/57/30/399235730.db2.gz WEOIOEHGZZUKGW-BDJLRTHQSA-N 2 1 300.362 2.529 20 5 DFBDMP C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000614772279 399266885 /nfs/dbraw/zinc/26/68/85/399266885.db2.gz FHTZRKQSODAFRE-NSHDSACASA-N 2 1 306.391 2.547 20 5 DFBDMP C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000614772279 399266887 /nfs/dbraw/zinc/26/68/87/399266887.db2.gz FHTZRKQSODAFRE-NSHDSACASA-N 2 1 306.391 2.547 20 5 DFBDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572618 426224691 /nfs/dbraw/zinc/22/46/91/426224691.db2.gz BLJOLDJRGNQZAH-MRXNPFEDSA-N 2 1 305.422 2.801 20 5 DFBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572618 426224693 /nfs/dbraw/zinc/22/46/93/426224693.db2.gz BLJOLDJRGNQZAH-MRXNPFEDSA-N 2 1 305.422 2.801 20 5 DFBDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572618 426224697 /nfs/dbraw/zinc/22/46/97/426224697.db2.gz BLJOLDJRGNQZAH-MRXNPFEDSA-N 2 1 305.422 2.801 20 5 DFBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572618 426224700 /nfs/dbraw/zinc/22/47/00/426224700.db2.gz BLJOLDJRGNQZAH-MRXNPFEDSA-N 2 1 305.422 2.801 20 5 DFBDMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153758741 426404125 /nfs/dbraw/zinc/40/41/25/426404125.db2.gz HYXYEBKSEDHYSQ-AWEZNQCLSA-N 2 1 309.410 2.522 20 5 DFBDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153758741 426404127 /nfs/dbraw/zinc/40/41/27/426404127.db2.gz HYXYEBKSEDHYSQ-AWEZNQCLSA-N 2 1 309.410 2.522 20 5 DFBDMP COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641176 426445534 /nfs/dbraw/zinc/44/55/34/426445534.db2.gz BWPHVXBJYIZXOQ-TZMCWYRMSA-N 2 1 307.394 2.518 20 5 DFBDMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000279014337 427531279 /nfs/dbraw/zinc/53/12/79/427531279.db2.gz UDINBQIRQDXRPV-OLZOCXBDSA-N 2 1 300.362 2.705 20 5 DFBDMP Cc1c([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000360013379 428118404 /nfs/dbraw/zinc/11/84/04/428118404.db2.gz GDCZWDILOGAYON-QWHCGFSZSA-N 2 1 300.362 2.765 20 5 DFBDMP CC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000360020996 428119301 /nfs/dbraw/zinc/11/93/01/428119301.db2.gz VNKWINNHERSJCE-HIFRSBDPSA-N 2 1 300.362 2.847 20 5 DFBDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347117918 428453474 /nfs/dbraw/zinc/45/34/74/428453474.db2.gz XKTSVDWJENBOJZ-ZDUSSCGKSA-N 2 1 315.373 2.896 20 5 DFBDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347117918 428453481 /nfs/dbraw/zinc/45/34/81/428453481.db2.gz XKTSVDWJENBOJZ-ZDUSSCGKSA-N 2 1 315.373 2.896 20 5 DFBDMP O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363661495 428962018 /nfs/dbraw/zinc/96/20/18/428962018.db2.gz RQAJLDAWTYIXLZ-FRFSOERESA-N 2 1 319.380 2.650 20 5 DFBDMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000367553659 429670354 /nfs/dbraw/zinc/67/03/54/429670354.db2.gz QGOKBMBKSFQUSE-ULQDDVLXSA-N 2 1 303.406 2.600 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368874046 429899555 /nfs/dbraw/zinc/89/95/55/429899555.db2.gz CAWOZLJRBKNEAK-NEBFAKBJSA-N 2 1 301.390 2.824 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000530326483 430110547 /nfs/dbraw/zinc/11/05/47/430110547.db2.gz VSVLHDYVJZVELE-IHWMJMDHSA-N 2 1 303.406 2.930 20 5 DFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443069864 297214807 /nfs/dbraw/zinc/21/48/07/297214807.db2.gz KRDMSJRELQMEDF-CQSZACIVSA-N 2 1 321.421 2.943 20 5 DFBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000539089282 301337825 /nfs/dbraw/zinc/33/78/25/301337825.db2.gz QUNJDTCMPSRWQR-RHSMWYFYSA-N 2 1 305.422 2.847 20 5 DFBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390908 214136614 /nfs/dbraw/zinc/13/66/14/214136614.db2.gz CWMKSHLFTCZRHY-GJZGRUSLSA-N 2 1 321.421 2.746 20 5 DFBDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390908 214136617 /nfs/dbraw/zinc/13/66/17/214136617.db2.gz CWMKSHLFTCZRHY-GJZGRUSLSA-N 2 1 321.421 2.746 20 5 DFBDMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414965832 295842286 /nfs/dbraw/zinc/84/22/86/295842286.db2.gz WABVCPCULPDRRO-WBMJQRKESA-N 2 1 315.373 2.942 20 5 DFBDMP Cc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000593970481 398711571 /nfs/dbraw/zinc/71/15/71/398711571.db2.gz LPIPKMKYTIZMPD-CYBMUJFWSA-N 2 1 302.378 2.920 20 5 DFBDMP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC[NH+]1C ZINC000173959650 283391912 /nfs/dbraw/zinc/39/19/12/283391912.db2.gz LWLQJVIZTOGKTQ-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC[NH+]1C ZINC000173959650 283391915 /nfs/dbraw/zinc/39/19/15/283391915.db2.gz LWLQJVIZTOGKTQ-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000173959650 283391918 /nfs/dbraw/zinc/39/19/18/283391918.db2.gz LWLQJVIZTOGKTQ-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC[N@H+]1C ZINC000173959650 283391920 /nfs/dbraw/zinc/39/19/20/283391920.db2.gz LWLQJVIZTOGKTQ-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000470170780 299293155 /nfs/dbraw/zinc/29/31/55/299293155.db2.gz AFWBUEFGSRYYRN-SCZPIIQISA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000470170780 299293159 /nfs/dbraw/zinc/29/31/59/299293159.db2.gz AFWBUEFGSRYYRN-SCZPIIQISA-N 2 1 303.406 2.882 20 5 DFBDMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072047 398916979 /nfs/dbraw/zinc/91/69/79/398916979.db2.gz XAVNHBAFGGSLOE-XJKSGUPXSA-N 2 1 303.406 2.904 20 5 DFBDMP C[NH+](C)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601104310 399228217 /nfs/dbraw/zinc/22/82/17/399228217.db2.gz SFZVQWHBLGSELL-UHFFFAOYSA-N 2 1 300.362 2.673 20 5 DFBDMP Cn1ccnc1[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601134850 399237537 /nfs/dbraw/zinc/23/75/37/399237537.db2.gz IQQPGRNKCJOBTP-GFCCVEGCSA-N 2 1 323.356 2.870 20 5 DFBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000610762494 399403453 /nfs/dbraw/zinc/40/34/53/399403453.db2.gz PKYFNVQIKUKKRH-AWEZNQCLSA-N 2 1 312.373 2.873 20 5 DFBDMP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000423082951 296376260 /nfs/dbraw/zinc/37/62/60/296376260.db2.gz FWYNJBLQHRNKDP-ONGXEEELSA-N 2 1 317.311 2.701 20 5 DFBDMP Cc1c(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423077013 296375629 /nfs/dbraw/zinc/37/56/29/296375629.db2.gz LBEJMFMOMQXFOR-RHSMWYFYSA-N 2 1 313.401 2.951 20 5 DFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602844749 399599208 /nfs/dbraw/zinc/59/92/08/399599208.db2.gz FHJFFVIDFLZGAJ-UHFFFAOYSA-N 2 1 312.373 2.702 20 5 DFBDMP CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000261743161 146269782 /nfs/dbraw/zinc/26/97/82/146269782.db2.gz SHAUREWACBGHMG-UHFFFAOYSA-N 2 1 307.394 2.567 20 5 DFBDMP CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000261743161 146269786 /nfs/dbraw/zinc/26/97/86/146269786.db2.gz SHAUREWACBGHMG-UHFFFAOYSA-N 2 1 307.394 2.567 20 5 DFBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000261985128 146315363 /nfs/dbraw/zinc/31/53/63/146315363.db2.gz RVOXEOANCDITHW-SGMGOOAPSA-N 2 1 309.797 2.807 20 5 DFBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000261985128 146315368 /nfs/dbraw/zinc/31/53/68/146315368.db2.gz RVOXEOANCDITHW-SGMGOOAPSA-N 2 1 309.797 2.807 20 5 DFBDMP Cc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000371403718 150040879 /nfs/dbraw/zinc/04/08/79/150040879.db2.gz WAVCQYKZHPMQPH-IKGGRYGDSA-N 2 1 315.417 2.819 20 5 DFBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000076004343 426093998 /nfs/dbraw/zinc/09/39/98/426093998.db2.gz BCOHCDGSNYFBQP-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000076004343 426094001 /nfs/dbraw/zinc/09/40/01/426094001.db2.gz BCOHCDGSNYFBQP-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[N@@H+](C)C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174949395 426270584 /nfs/dbraw/zinc/27/05/84/426270584.db2.gz ONLOZXBWVHSGHB-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174949395 426270587 /nfs/dbraw/zinc/27/05/87/426270587.db2.gz ONLOZXBWVHSGHB-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174949395 426270590 /nfs/dbraw/zinc/27/05/90/426270590.db2.gz ONLOZXBWVHSGHB-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174949395 426270592 /nfs/dbraw/zinc/27/05/92/426270592.db2.gz ONLOZXBWVHSGHB-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174949395 426270594 /nfs/dbraw/zinc/27/05/94/426270594.db2.gz ONLOZXBWVHSGHB-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000359457425 427859688 /nfs/dbraw/zinc/85/96/88/427859688.db2.gz NLGXPTIIFCMBBO-STQMWFEESA-N 2 1 313.357 2.506 20 5 DFBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773688 428243523 /nfs/dbraw/zinc/24/35/23/428243523.db2.gz UFCHADOYMZORIJ-HIFRSBDPSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773688 428243529 /nfs/dbraw/zinc/24/35/29/428243529.db2.gz UFCHADOYMZORIJ-HIFRSBDPSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773688 428243535 /nfs/dbraw/zinc/24/35/35/428243535.db2.gz UFCHADOYMZORIJ-HIFRSBDPSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773688 428243539 /nfs/dbraw/zinc/24/35/39/428243539.db2.gz UFCHADOYMZORIJ-HIFRSBDPSA-N 2 1 321.421 2.766 20 5 DFBDMP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC([NH3+])C1 ZINC000414780839 428403031 /nfs/dbraw/zinc/40/30/31/428403031.db2.gz UKISPYAMEQDMBR-UHFFFAOYSA-N 2 1 301.346 2.776 20 5 DFBDMP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC([NH3+])C1 ZINC000414780839 428403034 /nfs/dbraw/zinc/40/30/34/428403034.db2.gz UKISPYAMEQDMBR-UHFFFAOYSA-N 2 1 301.346 2.776 20 5 DFBDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347097816 428444590 /nfs/dbraw/zinc/44/45/90/428444590.db2.gz KFJAQGAQGPNOJL-GFCCVEGCSA-N 2 1 301.346 2.635 20 5 DFBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c(Cl)c1 ZINC000415006595 428488289 /nfs/dbraw/zinc/48/82/89/428488289.db2.gz UBQFPZXEZJXMHG-JTQLQIEISA-N 2 1 319.739 2.583 20 5 DFBDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000353389818 428517142 /nfs/dbraw/zinc/51/71/42/428517142.db2.gz XIDMWOKZLDBQKX-RBSFLKMASA-N 2 1 319.405 2.566 20 5 DFBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203203 428914512 /nfs/dbraw/zinc/91/45/12/428914512.db2.gz ALQLZXFZAWHYLG-HOCLYGCPSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203203 428914518 /nfs/dbraw/zinc/91/45/18/428914518.db2.gz ALQLZXFZAWHYLG-HOCLYGCPSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203203 428914523 /nfs/dbraw/zinc/91/45/23/428914523.db2.gz ALQLZXFZAWHYLG-HOCLYGCPSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203203 428914530 /nfs/dbraw/zinc/91/45/30/428914530.db2.gz ALQLZXFZAWHYLG-HOCLYGCPSA-N 2 1 321.421 2.778 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000349201778 428938850 /nfs/dbraw/zinc/93/88/50/428938850.db2.gz MHLMKZFZJRYMKF-GFCCVEGCSA-N 2 1 318.377 2.849 20 5 DFBDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382770 429076387 /nfs/dbraw/zinc/07/63/87/429076387.db2.gz PCQJUGOTWJJBHR-MAZHCROVSA-N 2 1 303.406 2.646 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363874801 429132221 /nfs/dbraw/zinc/13/22/21/429132221.db2.gz JFQPAJQPVHCYEJ-KBAYOESNSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363874801 429132225 /nfs/dbraw/zinc/13/22/25/429132225.db2.gz JFQPAJQPVHCYEJ-KBAYOESNSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363874801 429132228 /nfs/dbraw/zinc/13/22/28/429132228.db2.gz JFQPAJQPVHCYEJ-KBAYOESNSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363874801 429132231 /nfs/dbraw/zinc/13/22/31/429132231.db2.gz JFQPAJQPVHCYEJ-KBAYOESNSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071189 429323735 /nfs/dbraw/zinc/32/37/35/429323735.db2.gz GMZRKQGCQWSUON-KBPBESRZSA-N 2 1 316.405 2.957 20 5 DFBDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104233 429333788 /nfs/dbraw/zinc/33/37/88/429333788.db2.gz FHBHCMWKBNFGHD-CABCVRRESA-N 2 1 305.422 2.847 20 5 DFBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000365550860 429340422 /nfs/dbraw/zinc/34/04/22/429340422.db2.gz SRFLABXDGDNRIU-NSHDSACASA-N 2 1 320.780 2.797 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367625174 429689772 /nfs/dbraw/zinc/68/97/72/429689772.db2.gz XDCZQXYRPQYVAC-BZUAXINKSA-N 2 1 319.405 2.566 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367625174 429689776 /nfs/dbraw/zinc/68/97/76/429689776.db2.gz XDCZQXYRPQYVAC-BZUAXINKSA-N 2 1 319.405 2.566 20 5 DFBDMP CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153696888 289055861 /nfs/dbraw/zinc/05/58/61/289055861.db2.gz QVRKODYGVFRXGD-KBPBESRZSA-N 2 1 321.421 2.986 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153696888 289055869 /nfs/dbraw/zinc/05/58/69/289055869.db2.gz QVRKODYGVFRXGD-KBPBESRZSA-N 2 1 321.421 2.986 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CCCC1 ZINC000449064952 297399396 /nfs/dbraw/zinc/39/93/96/297399396.db2.gz XGKVXUNVEHVORI-CQSZACIVSA-N 2 1 305.422 2.990 20 5 DFBDMP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000516173858 300332753 /nfs/dbraw/zinc/33/27/53/300332753.db2.gz GGXVELKVLQCEHK-DLBZAZTESA-N 2 1 313.357 2.708 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000596648236 398471448 /nfs/dbraw/zinc/47/14/48/398471448.db2.gz MXEIDUDIVJPDJA-LBPRGKRZSA-N 2 1 307.394 2.916 20 5 DFBDMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414842561 295824825 /nfs/dbraw/zinc/82/48/25/295824825.db2.gz PCCHNEXFXWNGSX-LBPRGKRZSA-N 2 1 303.362 2.800 20 5 DFBDMP Cc1c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591658924 398779259 /nfs/dbraw/zinc/77/92/59/398779259.db2.gz GNSQBKGLKBSHQO-CYBMUJFWSA-N 2 1 303.406 2.867 20 5 DFBDMP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000276699605 213054253 /nfs/dbraw/zinc/05/42/53/213054253.db2.gz MVFCXXGUDKXQKF-UHFFFAOYSA-N 2 1 321.421 2.815 20 5 DFBDMP C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000600708822 399120783 /nfs/dbraw/zinc/12/07/83/399120783.db2.gz GPDZCQOVHCHBLA-KCXAZCMYSA-N 2 1 303.406 2.646 20 5 DFBDMP Cc1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420327978 296176047 /nfs/dbraw/zinc/17/60/47/296176047.db2.gz LZOMHTORAPAJTE-GOEBONIOSA-N 2 1 303.406 2.725 20 5 DFBDMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282647834 217151621 /nfs/dbraw/zinc/15/16/21/217151621.db2.gz CEDNISCFHICWIT-CQSZACIVSA-N 2 1 318.352 2.903 20 5 DFBDMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282647834 217151625 /nfs/dbraw/zinc/15/16/25/217151625.db2.gz CEDNISCFHICWIT-CQSZACIVSA-N 2 1 318.352 2.903 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420395635 296185661 /nfs/dbraw/zinc/18/56/61/296185661.db2.gz LMFFHXIKJIJPQY-NVXWUHKLSA-N 2 1 303.406 2.601 20 5 DFBDMP C[C@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000601117045 399232088 /nfs/dbraw/zinc/23/20/88/399232088.db2.gz WIKWQOLXVULXES-LBPRGKRZSA-N 2 1 314.389 2.707 20 5 DFBDMP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000601168089 399246071 /nfs/dbraw/zinc/24/60/71/399246071.db2.gz OKFAYMCPWYRDAU-KRWDZBQOSA-N 2 1 312.373 2.675 20 5 DFBDMP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000601168089 399246074 /nfs/dbraw/zinc/24/60/74/399246074.db2.gz OKFAYMCPWYRDAU-KRWDZBQOSA-N 2 1 312.373 2.675 20 5 DFBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000602023568 399386715 /nfs/dbraw/zinc/38/67/15/399386715.db2.gz XTVCEDMZLUOBFN-TZMCWYRMSA-N 2 1 315.373 2.881 20 5 DFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602511811 399464752 /nfs/dbraw/zinc/46/47/52/399464752.db2.gz UHVYLNCBEQEUNB-CYBMUJFWSA-N 2 1 302.378 2.568 20 5 DFBDMP CCC1([NH+](C)C)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602738982 399550449 /nfs/dbraw/zinc/55/04/49/399550449.db2.gz NPRXLCDLAFFEDW-UHFFFAOYSA-N 2 1 305.422 2.944 20 5 DFBDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173913002 145360240 /nfs/dbraw/zinc/36/02/40/145360240.db2.gz MEGCSRAXCMRALH-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173913002 145360241 /nfs/dbraw/zinc/36/02/41/145360241.db2.gz MEGCSRAXCMRALH-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173913002 145360242 /nfs/dbraw/zinc/36/02/42/145360242.db2.gz MEGCSRAXCMRALH-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173912986 145360822 /nfs/dbraw/zinc/36/08/22/145360822.db2.gz MEGCSRAXCMRALH-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173912986 145360827 /nfs/dbraw/zinc/36/08/27/145360827.db2.gz MEGCSRAXCMRALH-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173912986 145360831 /nfs/dbraw/zinc/36/08/31/145360831.db2.gz MEGCSRAXCMRALH-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248638382 158192225 /nfs/dbraw/zinc/19/22/25/158192225.db2.gz QUZXSVTZDUESDL-RDJZCZTQSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248638382 158192226 /nfs/dbraw/zinc/19/22/26/158192226.db2.gz QUZXSVTZDUESDL-RDJZCZTQSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248638382 158192228 /nfs/dbraw/zinc/19/22/28/158192228.db2.gz QUZXSVTZDUESDL-RDJZCZTQSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248638382 158192229 /nfs/dbraw/zinc/19/22/29/158192229.db2.gz QUZXSVTZDUESDL-RDJZCZTQSA-N 2 1 303.406 2.819 20 5 DFBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[NH+]1C ZINC000075860344 426088018 /nfs/dbraw/zinc/08/80/18/426088018.db2.gz IKEJFTSZYOTUBY-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[NH+]1C ZINC000075860344 426088020 /nfs/dbraw/zinc/08/80/20/426088020.db2.gz IKEJFTSZYOTUBY-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000075860344 426088022 /nfs/dbraw/zinc/08/80/22/426088022.db2.gz IKEJFTSZYOTUBY-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[N@H+]1C ZINC000075860344 426088024 /nfs/dbraw/zinc/08/80/24/426088024.db2.gz IKEJFTSZYOTUBY-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](C)[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000166202339 426126334 /nfs/dbraw/zinc/12/63/34/426126334.db2.gz NMUSPTZZFPCPKA-WMZOPIPTSA-N 2 1 317.433 2.846 20 5 DFBDMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153752970 426404751 /nfs/dbraw/zinc/40/47/51/426404751.db2.gz BBSNNQUEEIYLHQ-AWEZNQCLSA-N 2 1 309.410 2.522 20 5 DFBDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153752970 426404754 /nfs/dbraw/zinc/40/47/54/426404754.db2.gz BBSNNQUEEIYLHQ-AWEZNQCLSA-N 2 1 309.410 2.522 20 5 DFBDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595587 426801430 /nfs/dbraw/zinc/80/14/30/426801430.db2.gz VPRBYZGIFIOTLB-UVMHCMFPSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595587 426801432 /nfs/dbraw/zinc/80/14/32/426801432.db2.gz VPRBYZGIFIOTLB-UVMHCMFPSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595587 426801436 /nfs/dbraw/zinc/80/14/36/426801436.db2.gz VPRBYZGIFIOTLB-UVMHCMFPSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595587 426801437 /nfs/dbraw/zinc/80/14/37/426801437.db2.gz VPRBYZGIFIOTLB-UVMHCMFPSA-N 2 1 303.406 2.880 20 5 DFBDMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000283984533 427111396 /nfs/dbraw/zinc/11/13/96/427111396.db2.gz HAUJFHZARMLBII-CYBMUJFWSA-N 2 1 320.437 2.948 20 5 DFBDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284153537 427146835 /nfs/dbraw/zinc/14/68/35/427146835.db2.gz PJGODASRLUFYKL-LBPRGKRZSA-N 2 1 317.393 2.813 20 5 DFBDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270535553 271305399 /nfs/dbraw/zinc/30/53/99/271305399.db2.gz WIURDVNADMFNAV-INIZCTEOSA-N 2 1 303.406 2.759 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788582 428409848 /nfs/dbraw/zinc/40/98/48/428409848.db2.gz XCNHPCFJYRCRQH-STQMWFEESA-N 2 1 307.369 2.555 20 5 DFBDMP C[C@H]1C[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]1 ZINC000414677631 428372113 /nfs/dbraw/zinc/37/21/13/428372113.db2.gz PFFRVSKUANSYOF-ZFWWWQNUSA-N 2 1 303.406 2.947 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357073195 428379442 /nfs/dbraw/zinc/37/94/42/428379442.db2.gz DTNRKJSQAHHVKQ-ZDUSSCGKSA-N 2 1 307.369 2.555 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866145 428439039 /nfs/dbraw/zinc/43/90/39/428439039.db2.gz MFKVBBROYQHTQN-IMJJTQAJSA-N 2 1 303.406 2.648 20 5 DFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000415020983 428490725 /nfs/dbraw/zinc/49/07/25/428490725.db2.gz BIBBRLBHBOXPHC-VIKVFOODSA-N 2 1 315.398 2.631 20 5 DFBDMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414959016 428473185 /nfs/dbraw/zinc/47/31/85/428473185.db2.gz PHCKONYQQQDYQF-WFASDCNBSA-N 2 1 315.373 2.942 20 5 DFBDMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414965829 428476171 /nfs/dbraw/zinc/47/61/71/428476171.db2.gz WABVCPCULPDRRO-MLGOLLRUSA-N 2 1 315.373 2.942 20 5 DFBDMP CC[N@H+]1CCC[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000391471355 428477662 /nfs/dbraw/zinc/47/76/62/428477662.db2.gz REMLKVLHJVSZRJ-ZDUSSCGKSA-N 2 1 314.389 2.770 20 5 DFBDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000349149913 428930168 /nfs/dbraw/zinc/93/01/68/428930168.db2.gz MGFUIAVQRWDLLY-CQSZACIVSA-N 2 1 321.396 2.898 20 5 DFBDMP CC[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423475890 429095162 /nfs/dbraw/zinc/09/51/62/429095162.db2.gz KSBCKXQRURCWTM-JSGCOSHPSA-N 2 1 313.348 2.880 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449082970 429327555 /nfs/dbraw/zinc/32/75/55/429327555.db2.gz RHIOFLPPLUBANN-KMFMINBZSA-N 2 1 303.406 2.742 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000449082970 429327558 /nfs/dbraw/zinc/32/75/58/429327558.db2.gz RHIOFLPPLUBANN-KMFMINBZSA-N 2 1 303.406 2.742 20 5 DFBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088995 429328496 /nfs/dbraw/zinc/32/84/96/429328496.db2.gz CNPOKXSJVLFWFE-HUUCEWRRSA-N 2 1 305.422 2.847 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449092577 429329357 /nfs/dbraw/zinc/32/93/57/429329357.db2.gz UORJYOAJEJLZPV-VNQPRFMTSA-N 2 1 303.406 2.742 20 5 DFBDMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000367553657 429670248 /nfs/dbraw/zinc/67/02/48/429670248.db2.gz QGOKBMBKSFQUSE-IKGGRYGDSA-N 2 1 303.406 2.600 20 5 DFBDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582546267 430310585 /nfs/dbraw/zinc/31/05/85/430310585.db2.gz JUEOGOHRBBAXRN-WDEREUQCSA-N 2 1 320.418 2.934 20 5 DFBDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892788 430566388 /nfs/dbraw/zinc/56/63/88/430566388.db2.gz QELPATOAAMMQGH-NVXWUHKLSA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892788 430566391 /nfs/dbraw/zinc/56/63/91/430566391.db2.gz QELPATOAAMMQGH-NVXWUHKLSA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892788 430566396 /nfs/dbraw/zinc/56/63/96/430566396.db2.gz QELPATOAAMMQGH-NVXWUHKLSA-N 2 1 303.406 2.553 20 5 DFBDMP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000516679271 300355368 /nfs/dbraw/zinc/35/53/68/300355368.db2.gz MMWIFGTVEVCRDS-GXTWGEPZSA-N 2 1 316.405 2.691 20 5 DFBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000592433714 398425166 /nfs/dbraw/zinc/42/51/66/398425166.db2.gz QGLRILFZHUCOCE-KBPBESRZSA-N 2 1 309.435 2.868 20 5 DFBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000592433729 398425435 /nfs/dbraw/zinc/42/54/35/398425435.db2.gz QGLRILFZHUCOCE-KGLIPLIRSA-N 2 1 309.435 2.868 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492601 398433742 /nfs/dbraw/zinc/43/37/42/398433742.db2.gz BMVWNVSTESFSOQ-UONOGXRCSA-N 2 1 321.396 2.946 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592494008 398433785 /nfs/dbraw/zinc/43/37/85/398433785.db2.gz YVUDDFKLNBMREP-SJORKVTESA-N 2 1 317.433 2.849 20 5 DFBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)o2)c1 ZINC000414838683 295824542 /nfs/dbraw/zinc/82/45/42/295824542.db2.gz XDOKVCRZGWIGSG-CYBMUJFWSA-N 2 1 315.373 2.944 20 5 DFBDMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414842560 295824920 /nfs/dbraw/zinc/82/49/20/295824920.db2.gz PCCHNEXFXWNGSX-GFCCVEGCSA-N 2 1 303.362 2.800 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174770460 198382742 /nfs/dbraw/zinc/38/27/42/198382742.db2.gz GQKXFMFDBARYHZ-HUUCEWRRSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174770460 198382743 /nfs/dbraw/zinc/38/27/43/198382743.db2.gz GQKXFMFDBARYHZ-HUUCEWRRSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174770460 198382745 /nfs/dbraw/zinc/38/27/45/198382745.db2.gz GQKXFMFDBARYHZ-HUUCEWRRSA-N 2 1 321.421 2.636 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594495346 398809570 /nfs/dbraw/zinc/80/95/70/398809570.db2.gz VLMPTJPZFPITCA-XEZPLFJOSA-N 2 1 301.390 2.799 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000594495346 398809572 /nfs/dbraw/zinc/80/95/72/398809572.db2.gz VLMPTJPZFPITCA-XEZPLFJOSA-N 2 1 301.390 2.799 20 5 DFBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000594735676 398851809 /nfs/dbraw/zinc/85/18/09/398851809.db2.gz MYWJFOVZZUKDCZ-AWEZNQCLSA-N 2 1 309.435 2.868 20 5 DFBDMP CCCn1cc[nH+]c1CCCN(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595453932 398941573 /nfs/dbraw/zinc/94/15/73/398941573.db2.gz GVUROSHNTXEREB-UHFFFAOYSA-N 2 1 321.381 2.562 20 5 DFBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000092253460 193180344 /nfs/dbraw/zinc/18/03/44/193180344.db2.gz TVEVAJJLSAUZAJ-RZIFZGNASA-N 2 1 303.406 2.882 20 5 DFBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000092253460 193180345 /nfs/dbraw/zinc/18/03/45/193180345.db2.gz TVEVAJJLSAUZAJ-RZIFZGNASA-N 2 1 303.406 2.882 20 5 DFBDMP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000092253460 193180346 /nfs/dbraw/zinc/18/03/46/193180346.db2.gz TVEVAJJLSAUZAJ-RZIFZGNASA-N 2 1 303.406 2.882 20 5 DFBDMP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253460 193180347 /nfs/dbraw/zinc/18/03/47/193180347.db2.gz TVEVAJJLSAUZAJ-RZIFZGNASA-N 2 1 303.406 2.882 20 5 DFBDMP C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595904537 399129213 /nfs/dbraw/zinc/12/92/13/399129213.db2.gz FGKNIIRUIIHMRY-RHSMWYFYSA-N 2 1 321.421 2.813 20 5 DFBDMP C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595905557 399130791 /nfs/dbraw/zinc/13/07/91/399130791.db2.gz VKFXKOVBPUSTGC-RHSMWYFYSA-N 2 1 321.421 2.813 20 5 DFBDMP C[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595905912 399130866 /nfs/dbraw/zinc/13/08/66/399130866.db2.gz XTKFQUIUMGNEDC-RHSMWYFYSA-N 2 1 305.422 2.977 20 5 DFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329234 296175958 /nfs/dbraw/zinc/17/59/58/296175958.db2.gz ODBUTCVMPARGMP-KFWWJZLASA-N 2 1 303.406 2.977 20 5 DFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344104 296178152 /nfs/dbraw/zinc/17/81/52/296178152.db2.gz SBTPPPUGXCLPCP-KBMXLJTQSA-N 2 1 303.406 2.977 20 5 DFBDMP Cc1c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413069 296187948 /nfs/dbraw/zinc/18/79/48/296187948.db2.gz ZNJWRHYAJJIUFT-PBHICJAKSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413069 296187949 /nfs/dbraw/zinc/18/79/49/296187949.db2.gz ZNJWRHYAJJIUFT-PBHICJAKSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413072 296188022 /nfs/dbraw/zinc/18/80/22/296188022.db2.gz ZNJWRHYAJJIUFT-YOEHRIQHSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413072 296188023 /nfs/dbraw/zinc/18/80/23/296188023.db2.gz ZNJWRHYAJJIUFT-YOEHRIQHSA-N 2 1 303.406 2.867 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000608835960 399299102 /nfs/dbraw/zinc/29/91/02/399299102.db2.gz CAWOZLJRBKNEAK-VPIBYOGUSA-N 2 1 301.390 2.824 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285339553 218388688 /nfs/dbraw/zinc/38/86/88/218388688.db2.gz OTKBJOVTQWFMHA-UHFFFAOYSA-N 2 1 302.378 2.664 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285339553 218388691 /nfs/dbraw/zinc/38/86/91/218388691.db2.gz OTKBJOVTQWFMHA-UHFFFAOYSA-N 2 1 302.378 2.664 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000159211171 197336305 /nfs/dbraw/zinc/33/63/05/197336305.db2.gz NSPRIRGPXUUBQV-UHFFFAOYSA-N 2 1 318.377 2.630 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000159211171 197336307 /nfs/dbraw/zinc/33/63/07/197336307.db2.gz NSPRIRGPXUUBQV-UHFFFAOYSA-N 2 1 318.377 2.630 20 5 DFBDMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000423193643 296390708 /nfs/dbraw/zinc/39/07/08/296390708.db2.gz XPXZSFBZUFCJNN-CQSZACIVSA-N 2 1 314.389 2.820 20 5 DFBDMP C[NH+]1CCC2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000602878478 399612409 /nfs/dbraw/zinc/61/24/09/399612409.db2.gz WZKIXBFJVBXSJR-UHFFFAOYSA-N 2 1 303.406 2.555 20 5 DFBDMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cccc1[N+](=O)[O-] ZINC000423489903 296421405 /nfs/dbraw/zinc/42/14/05/296421405.db2.gz XXANYWNCHJDDRP-NWDGAFQWSA-N 2 1 313.348 2.799 20 5 DFBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261892004 146296445 /nfs/dbraw/zinc/29/64/45/146296445.db2.gz ZTJYHNDVRKBGCY-AEFFLSMTSA-N 2 1 311.385 2.769 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000262045956 146327659 /nfs/dbraw/zinc/32/76/59/146327659.db2.gz CJFQRIZKXLQOOH-ARFHVFGLSA-N 2 1 303.406 2.995 20 5 DFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351502301 286137801 /nfs/dbraw/zinc/13/78/01/286137801.db2.gz ZVJNFDPLHKCYEV-APHBMKBZSA-N 2 1 319.405 2.551 20 5 DFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351502301 286137802 /nfs/dbraw/zinc/13/78/02/286137802.db2.gz ZVJNFDPLHKCYEV-APHBMKBZSA-N 2 1 319.405 2.551 20 5 DFBDMP CC(C)[NH+]1CCC([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000263700046 268170801 /nfs/dbraw/zinc/17/08/01/268170801.db2.gz LJGMBFVMDMFMDP-UHFFFAOYSA-N 2 1 321.421 2.778 20 5 DFBDMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000263700046 268170802 /nfs/dbraw/zinc/17/08/02/268170802.db2.gz LJGMBFVMDMFMDP-UHFFFAOYSA-N 2 1 321.421 2.778 20 5 DFBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000265812050 426695351 /nfs/dbraw/zinc/69/53/51/426695351.db2.gz VXJFJGNTIZSPHZ-UHFFFAOYSA-N 2 1 308.769 2.933 20 5 DFBDMP Cc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290600955 426803556 /nfs/dbraw/zinc/80/35/56/426803556.db2.gz VWSADGQBQJNFQS-HZPDHXFCSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290600955 426803562 /nfs/dbraw/zinc/80/35/62/426803562.db2.gz VWSADGQBQJNFQS-HZPDHXFCSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290600955 426803565 /nfs/dbraw/zinc/80/35/65/426803565.db2.gz VWSADGQBQJNFQS-HZPDHXFCSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290600955 426803571 /nfs/dbraw/zinc/80/35/71/426803571.db2.gz VWSADGQBQJNFQS-HZPDHXFCSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290600955 426803574 /nfs/dbraw/zinc/80/35/74/426803574.db2.gz VWSADGQBQJNFQS-HZPDHXFCSA-N 2 1 303.406 2.819 20 5 DFBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284254396 427166496 /nfs/dbraw/zinc/16/64/96/427166496.db2.gz VVJSULNDQLKIAY-ZIAGYGMSSA-N 2 1 320.437 2.948 20 5 DFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293690077 427407599 /nfs/dbraw/zinc/40/75/99/427407599.db2.gz KWNSJVFSBREAOI-RYUDHWBXSA-N 2 1 317.393 2.669 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000369600769 428013879 /nfs/dbraw/zinc/01/38/79/428013879.db2.gz VKKVGRFUAWAURZ-NJAFHUGGSA-N 2 1 315.417 2.553 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000369600769 428013884 /nfs/dbraw/zinc/01/38/84/428013884.db2.gz VKKVGRFUAWAURZ-NJAFHUGGSA-N 2 1 315.417 2.553 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000369600769 428013888 /nfs/dbraw/zinc/01/38/88/428013888.db2.gz VKKVGRFUAWAURZ-NJAFHUGGSA-N 2 1 315.417 2.553 20 5 DFBDMP CC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000360020994 428119744 /nfs/dbraw/zinc/11/97/44/428119744.db2.gz VNKWINNHERSJCE-DZGCQCFKSA-N 2 1 300.362 2.847 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788574 428411204 /nfs/dbraw/zinc/41/12/04/428411204.db2.gz XCNHPCFJYRCRQH-CHWSQXEVSA-N 2 1 307.369 2.555 20 5 DFBDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347097818 428444311 /nfs/dbraw/zinc/44/43/11/428444311.db2.gz KFJAQGAQGPNOJL-LBPRGKRZSA-N 2 1 301.346 2.635 20 5 DFBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c(Cl)c1 ZINC000415006597 428489255 /nfs/dbraw/zinc/48/92/55/428489255.db2.gz UBQFPZXEZJXMHG-SNVBAGLBSA-N 2 1 319.739 2.583 20 5 DFBDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352725 429072085 /nfs/dbraw/zinc/07/20/85/429072085.db2.gz AKCZCIQGTRNSBJ-JHNDHUHGSA-N 2 1 317.433 2.894 20 5 DFBDMP C[C@@H]1CC2(C[N@H+]1CCc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424289532 429120743 /nfs/dbraw/zinc/12/07/43/429120743.db2.gz LURNOBUAZOEQBV-CQSZACIVSA-N 2 1 303.406 2.601 20 5 DFBDMP Cc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000364673784 429248020 /nfs/dbraw/zinc/24/80/20/429248020.db2.gz QBBSCLUBEPOSJP-OAHLLOKOSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000364673784 429248025 /nfs/dbraw/zinc/24/80/25/429248025.db2.gz QBBSCLUBEPOSJP-OAHLLOKOSA-N 2 1 314.389 2.794 20 5 DFBDMP C[N@H+]1CCCC12CCN(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000368239408 429814847 /nfs/dbraw/zinc/81/48/47/429814847.db2.gz ABCBLWCUJRLCSN-UHFFFAOYSA-N 2 1 319.405 2.534 20 5 DFBDMP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)ccc1Cl ZINC000369348636 429928690 /nfs/dbraw/zinc/92/86/90/429928690.db2.gz JPPUUUCAENQFGL-GFCCVEGCSA-N 2 1 320.780 2.797 20 5 DFBDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576052626 318100636 /nfs/dbraw/zinc/10/06/36/318100636.db2.gz QISINBFJMUILIZ-HNNXBMFYSA-N 2 1 300.362 2.767 20 5 DFBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576143155 318106821 /nfs/dbraw/zinc/10/68/21/318106821.db2.gz NRJUSNVIMPZKLW-WBMJQRKESA-N 2 1 316.405 2.548 20 5 DFBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390912 214135821 /nfs/dbraw/zinc/13/58/21/214135821.db2.gz CWMKSHLFTCZRHY-HUUCEWRRSA-N 2 1 321.421 2.746 20 5 DFBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390912 214135822 /nfs/dbraw/zinc/13/58/22/214135822.db2.gz CWMKSHLFTCZRHY-HUUCEWRRSA-N 2 1 321.421 2.746 20 5 DFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433758 398425050 /nfs/dbraw/zinc/42/50/50/398425050.db2.gz SUHXSQXWYQXFOC-HOTGVXAUSA-N 2 1 303.406 2.806 20 5 DFBDMP C[N@@H+](CCCC1CC[NH2+]CC1)CCc1ccccc1[N+](=O)[O-] ZINC000592495491 398433875 /nfs/dbraw/zinc/43/38/75/398433875.db2.gz JKFCIVODQWOBJO-UHFFFAOYSA-N 2 1 305.422 2.849 20 5 DFBDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173374893 198207099 /nfs/dbraw/zinc/20/70/99/198207099.db2.gz YNLCRFJKBSLELQ-CQSZACIVSA-N 2 1 321.421 2.746 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173873150 198262825 /nfs/dbraw/zinc/26/28/25/198262825.db2.gz OVFQVIAZKLULAG-KRWDZBQOSA-N 2 1 317.433 2.945 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173873150 198262826 /nfs/dbraw/zinc/26/28/26/198262826.db2.gz OVFQVIAZKLULAG-KRWDZBQOSA-N 2 1 317.433 2.945 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594734592 398851030 /nfs/dbraw/zinc/85/10/30/398851030.db2.gz CAGBNQXPYCGCJH-HNNXBMFYSA-N 2 1 303.406 2.806 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1c[nH+]cn1C ZINC000598918049 398893004 /nfs/dbraw/zinc/89/30/04/398893004.db2.gz QRWOCUXJAXMEIL-JYRVWZFOSA-N 2 1 300.362 2.564 20 5 DFBDMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072045 398917117 /nfs/dbraw/zinc/91/71/17/398917117.db2.gz XAVNHBAFGGSLOE-CJNGLKHVSA-N 2 1 303.406 2.904 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000600712775 399120393 /nfs/dbraw/zinc/12/03/93/399120393.db2.gz YPQCHKKIJYEFAP-DOTOQJQBSA-N 2 1 315.417 2.790 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338955 296177522 /nfs/dbraw/zinc/17/75/22/296177522.db2.gz YKWUYCSHRSJLMU-STQMWFEESA-N 2 1 307.369 2.555 20 5 DFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000601104799 399228152 /nfs/dbraw/zinc/22/81/52/399228152.db2.gz HELIQTWLBLNNLO-QWHCGFSZSA-N 2 1 312.373 2.604 20 5 DFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000601104799 399228156 /nfs/dbraw/zinc/22/81/56/399228156.db2.gz HELIQTWLBLNNLO-QWHCGFSZSA-N 2 1 312.373 2.604 20 5 DFBDMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000106469484 194218325 /nfs/dbraw/zinc/21/83/25/194218325.db2.gz UJBPMYRWGYJBTP-LBPRGKRZSA-N 2 1 318.377 2.534 20 5 DFBDMP Cc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641006 197290975 /nfs/dbraw/zinc/29/09/75/197290975.db2.gz ITHCTBLYGZHUCR-NVXWUHKLSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641006 197290977 /nfs/dbraw/zinc/29/09/77/197290977.db2.gz ITHCTBLYGZHUCR-NVXWUHKLSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641006 197290979 /nfs/dbraw/zinc/29/09/79/197290979.db2.gz ITHCTBLYGZHUCR-NVXWUHKLSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641006 197290980 /nfs/dbraw/zinc/29/09/80/197290980.db2.gz ITHCTBLYGZHUCR-NVXWUHKLSA-N 2 1 303.406 2.819 20 5 DFBDMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000602876647 399612589 /nfs/dbraw/zinc/61/25/89/399612589.db2.gz HXZYXTYXMLRVPZ-UHFFFAOYSA-N 2 1 319.405 2.521 20 5 DFBDMP [NH3+]C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261884675 146294683 /nfs/dbraw/zinc/29/46/83/146294683.db2.gz YXQYYQLGLFAZLX-CABCVRRESA-N 2 1 317.414 2.831 20 5 DFBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261884675 146294687 /nfs/dbraw/zinc/29/46/87/146294687.db2.gz YXQYYQLGLFAZLX-CABCVRRESA-N 2 1 317.414 2.831 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]21 ZINC000261985129 146314724 /nfs/dbraw/zinc/31/47/24/146314724.db2.gz RVOXEOANCDITHW-YRGRVCCFSA-N 2 1 309.797 2.807 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]21 ZINC000261985129 146314727 /nfs/dbraw/zinc/31/47/27/146314727.db2.gz RVOXEOANCDITHW-YRGRVCCFSA-N 2 1 309.797 2.807 20 5 DFBDMP CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000153209488 426376360 /nfs/dbraw/zinc/37/63/60/426376360.db2.gz CZKSWXFZPYNAJW-OCCSQVGLSA-N 2 1 307.394 2.738 20 5 DFBDMP CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000153209488 426376364 /nfs/dbraw/zinc/37/63/64/426376364.db2.gz CZKSWXFZPYNAJW-OCCSQVGLSA-N 2 1 307.394 2.738 20 5 DFBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595583 426801357 /nfs/dbraw/zinc/80/13/57/426801357.db2.gz VPRBYZGIFIOTLB-BIYNOUFRSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595583 426801359 /nfs/dbraw/zinc/80/13/59/426801359.db2.gz VPRBYZGIFIOTLB-BIYNOUFRSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595583 426801362 /nfs/dbraw/zinc/80/13/62/426801362.db2.gz VPRBYZGIFIOTLB-BIYNOUFRSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595583 426801366 /nfs/dbraw/zinc/80/13/66/426801366.db2.gz VPRBYZGIFIOTLB-BIYNOUFRSA-N 2 1 303.406 2.880 20 5 DFBDMP [NH3+]C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000346628998 428247194 /nfs/dbraw/zinc/24/71/94/428247194.db2.gz BJELIBDPUXXVKX-UHFFFAOYSA-N 2 1 301.346 2.778 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377858898 428248229 /nfs/dbraw/zinc/24/82/29/428248229.db2.gz CWHDUAHWNHCKFD-CQSZACIVSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377858898 428248234 /nfs/dbraw/zinc/24/82/34/428248234.db2.gz CWHDUAHWNHCKFD-CQSZACIVSA-N 2 1 314.389 2.794 20 5 DFBDMP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346828800 428334445 /nfs/dbraw/zinc/33/44/45/428334445.db2.gz ITBIEEJJQHSEKI-IMJJTQAJSA-N 2 1 303.406 2.887 20 5 DFBDMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346828800 428334450 /nfs/dbraw/zinc/33/44/50/428334450.db2.gz ITBIEEJJQHSEKI-IMJJTQAJSA-N 2 1 303.406 2.887 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414774703 428401887 /nfs/dbraw/zinc/40/18/87/428401887.db2.gz YXMNCBJRNFCZQD-ARMDTRKZSA-N 2 1 301.390 2.539 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779840 428405355 /nfs/dbraw/zinc/40/53/55/428405355.db2.gz KQUWMXPHPCAMBJ-GOEBONIOSA-N 2 1 303.406 2.725 20 5 DFBDMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]1 ZINC000414670657 428370908 /nfs/dbraw/zinc/37/09/08/428370908.db2.gz DNBBPEMQNLZNDO-UKRRQHHQSA-N 2 1 303.406 2.947 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866147 428437407 /nfs/dbraw/zinc/43/74/07/428437407.db2.gz MFKVBBROYQHTQN-NUEKZKHPSA-N 2 1 303.406 2.648 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414925791 428458783 /nfs/dbraw/zinc/45/87/83/428458783.db2.gz MFKVBBROYQHTQN-BMFZPTHFSA-N 2 1 303.406 2.648 20 5 DFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)s2)cc1 ZINC000415020402 428490358 /nfs/dbraw/zinc/49/03/58/428490358.db2.gz ATXZANUTDNSQMQ-FOLVSLTJSA-N 2 1 315.398 2.631 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415037679 428494751 /nfs/dbraw/zinc/49/47/51/428494751.db2.gz HCLOIWQHWHVHFS-WMLDXEAASA-N 2 1 303.406 2.867 20 5 DFBDMP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415132699 428532094 /nfs/dbraw/zinc/53/20/94/428532094.db2.gz LPRQHCRPELUSOS-UHFFFAOYSA-N 2 1 303.362 2.896 20 5 DFBDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415132699 428532098 /nfs/dbraw/zinc/53/20/98/428532098.db2.gz LPRQHCRPELUSOS-UHFFFAOYSA-N 2 1 303.362 2.896 20 5 DFBDMP Cc1c(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363662730 428961802 /nfs/dbraw/zinc/96/18/02/428961802.db2.gz WVRORDARPXSYLY-JFIYKMOQSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363662730 428961806 /nfs/dbraw/zinc/96/18/06/428961806.db2.gz WVRORDARPXSYLY-JFIYKMOQSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363662730 428961811 /nfs/dbraw/zinc/96/18/11/428961811.db2.gz WVRORDARPXSYLY-JFIYKMOQSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363662730 428961816 /nfs/dbraw/zinc/96/18/16/428961816.db2.gz WVRORDARPXSYLY-JFIYKMOQSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363662730 428961820 /nfs/dbraw/zinc/96/18/20/428961820.db2.gz WVRORDARPXSYLY-JFIYKMOQSA-N 2 1 315.417 2.819 20 5 DFBDMP C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364671284 429246798 /nfs/dbraw/zinc/24/67/98/429246798.db2.gz KVSMQRVLWJJDNQ-LBPRGKRZSA-N 2 1 318.352 2.625 20 5 DFBDMP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364671284 429246802 /nfs/dbraw/zinc/24/68/02/429246802.db2.gz KVSMQRVLWJJDNQ-LBPRGKRZSA-N 2 1 318.352 2.625 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449077706 429324686 /nfs/dbraw/zinc/32/46/86/429324686.db2.gz SQGPRJCBRZJKSZ-KGLIPLIRSA-N 2 1 303.406 2.600 20 5 DFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596653980 398472348 /nfs/dbraw/zinc/47/23/48/398472348.db2.gz MWUXHCZPKIOGGV-MFOWVQHXSA-N 2 1 321.446 2.807 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000591577311 398773143 /nfs/dbraw/zinc/77/31/43/398773143.db2.gz OUPVVBNTVHUDFE-BBRMVZONSA-N 2 1 303.406 2.648 20 5 DFBDMP C[N@H+](CCC[NH+]1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338348880 284103296 /nfs/dbraw/zinc/10/32/96/284103296.db2.gz MKWYAQRBTKHQRY-UHFFFAOYSA-N 2 1 305.422 2.945 20 5 DFBDMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338348880 284103303 /nfs/dbraw/zinc/10/33/03/284103303.db2.gz MKWYAQRBTKHQRY-UHFFFAOYSA-N 2 1 305.422 2.945 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900630 399128270 /nfs/dbraw/zinc/12/82/70/399128270.db2.gz IQHMYHDYNPWEJW-CQSZACIVSA-N 2 1 321.396 2.946 20 5 DFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329235 296176102 /nfs/dbraw/zinc/17/61/02/296176102.db2.gz ODBUTCVMPARGMP-QLFBSQMISA-N 2 1 303.406 2.977 20 5 DFBDMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601136704 399238141 /nfs/dbraw/zinc/23/81/41/399238141.db2.gz JVHWKZMWGBQEMM-RYUDHWBXSA-N 2 1 300.362 2.672 20 5 DFBDMP C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC[NH+](C)CC1 ZINC000610581686 399383037 /nfs/dbraw/zinc/38/30/37/399383037.db2.gz KRIPAPXOWFFZSQ-UHFFFAOYSA-N 2 1 318.377 2.510 20 5 DFBDMP CCC[NH+]1CCC([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109786121 194285650 /nfs/dbraw/zinc/28/56/50/194285650.db2.gz ICDZLDNUPQKFRE-UHFFFAOYSA-N 2 1 305.422 2.944 20 5 DFBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602545165 399472270 /nfs/dbraw/zinc/47/22/70/399472270.db2.gz NOINQXVATCKJDP-MRXNPFEDSA-N 2 1 305.422 2.847 20 5 DFBDMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284091006 131047606 /nfs/dbraw/zinc/04/76/06/131047606.db2.gz MGTAEGVZZMHFHY-LBPRGKRZSA-N 2 1 318.421 2.702 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000373759121 150253863 /nfs/dbraw/zinc/25/38/63/150253863.db2.gz HIFCRDQIBPUXDA-UHFFFAOYSA-N 2 1 319.405 2.664 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095572 426220062 /nfs/dbraw/zinc/22/00/62/426220062.db2.gz QXFMOXSHNXMBGY-PBHICJAKSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095572 426220064 /nfs/dbraw/zinc/22/00/64/426220064.db2.gz QXFMOXSHNXMBGY-PBHICJAKSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095572 426220068 /nfs/dbraw/zinc/22/00/68/426220068.db2.gz QXFMOXSHNXMBGY-PBHICJAKSA-N 2 1 321.421 2.636 20 5 DFBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230047940 426641240 /nfs/dbraw/zinc/64/12/40/426641240.db2.gz KJGOEBUYFNJRAM-LEWSCRJBSA-N 2 1 309.797 2.807 20 5 DFBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230047940 426641244 /nfs/dbraw/zinc/64/12/44/426641244.db2.gz KJGOEBUYFNJRAM-LEWSCRJBSA-N 2 1 309.797 2.807 20 5 DFBDMP CC(C)[NH+]1CCC([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337682837 426920177 /nfs/dbraw/zinc/92/01/77/426920177.db2.gz NZRBXIODDDZJKI-UHFFFAOYSA-N 2 1 321.421 2.778 20 5 DFBDMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337682837 426920186 /nfs/dbraw/zinc/92/01/86/426920186.db2.gz NZRBXIODDDZJKI-UHFFFAOYSA-N 2 1 321.421 2.778 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000183362265 427255425 /nfs/dbraw/zinc/25/54/25/427255425.db2.gz DVTQZMLLHCNSMH-OAHLLOKOSA-N 2 1 303.406 2.821 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000183362265 427255433 /nfs/dbraw/zinc/25/54/33/427255433.db2.gz DVTQZMLLHCNSMH-OAHLLOKOSA-N 2 1 303.406 2.821 20 5 DFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293690075 427406761 /nfs/dbraw/zinc/40/67/61/427406761.db2.gz KWNSJVFSBREAOI-NWDGAFQWSA-N 2 1 317.393 2.669 20 5 DFBDMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278889838 427489280 /nfs/dbraw/zinc/48/92/80/427489280.db2.gz YLOFUXOAMWTKSC-QGZVFWFLSA-N 2 1 301.390 2.824 20 5 DFBDMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192663467 427583301 /nfs/dbraw/zinc/58/33/01/427583301.db2.gz MWFWJLTURDTKLB-KRWDZBQOSA-N 2 1 321.421 2.530 20 5 DFBDMP Cc1c([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000360013380 428117155 /nfs/dbraw/zinc/11/71/55/428117155.db2.gz GDCZWDILOGAYON-STQMWFEESA-N 2 1 300.362 2.765 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779843 428404087 /nfs/dbraw/zinc/40/40/87/428404087.db2.gz KQUWMXPHPCAMBJ-HOCLYGCPSA-N 2 1 303.406 2.725 20 5 DFBDMP C[C@H]1C[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]1 ZINC000414670658 428370459 /nfs/dbraw/zinc/37/04/59/428370459.db2.gz DNBBPEMQNLZNDO-ZFWWWQNUSA-N 2 1 303.406 2.947 20 5 DFBDMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414950736 428467863 /nfs/dbraw/zinc/46/78/63/428467863.db2.gz GKROHYRUDRHTPX-MLGOLLRUSA-N 2 1 315.373 2.942 20 5 DFBDMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000353689045 428659953 /nfs/dbraw/zinc/65/99/53/428659953.db2.gz PQJVKDPVNJGWDS-INMHGKMJSA-N 2 1 303.406 2.866 20 5 DFBDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000349149910 428929236 /nfs/dbraw/zinc/92/92/36/428929236.db2.gz MGFUIAVQRWDLLY-AWEZNQCLSA-N 2 1 321.396 2.898 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349388467 428981482 /nfs/dbraw/zinc/98/14/82/428981482.db2.gz ZDINUHUXAIPILA-UHFFFAOYSA-N 2 1 302.378 2.930 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349388467 428981487 /nfs/dbraw/zinc/98/14/87/428981487.db2.gz ZDINUHUXAIPILA-UHFFFAOYSA-N 2 1 302.378 2.930 20 5 DFBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449091528 429328385 /nfs/dbraw/zinc/32/83/85/429328385.db2.gz QBWWENYQUHEHLZ-ZDUSSCGKSA-N 2 1 302.378 2.711 20 5 DFBDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430207408 429662772 /nfs/dbraw/zinc/66/27/72/429662772.db2.gz ZNBAYUPNZGYNQY-CZUORRHYSA-N 2 1 321.421 2.766 20 5 DFBDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892787 430566209 /nfs/dbraw/zinc/56/62/09/430566209.db2.gz QELPATOAAMMQGH-DOTOQJQBSA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892787 430566212 /nfs/dbraw/zinc/56/62/12/430566212.db2.gz QELPATOAAMMQGH-DOTOQJQBSA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892787 430566216 /nfs/dbraw/zinc/56/62/16/430566216.db2.gz QELPATOAAMMQGH-DOTOQJQBSA-N 2 1 303.406 2.553 20 5 DFBDMP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000516173861 300332843 /nfs/dbraw/zinc/33/28/43/300332843.db2.gz GGXVELKVLQCEHK-SJORKVTESA-N 2 1 313.357 2.708 20 5 DFBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582644 302142820 /nfs/dbraw/zinc/14/28/20/302142820.db2.gz FJPWNCJLMAVNPZ-BBRMVZONSA-N 2 1 303.406 2.904 20 5 DFBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582644 302142822 /nfs/dbraw/zinc/14/28/22/302142822.db2.gz FJPWNCJLMAVNPZ-BBRMVZONSA-N 2 1 303.406 2.904 20 5 DFBDMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582649 302143124 /nfs/dbraw/zinc/14/31/24/302143124.db2.gz FJPWNCJLMAVNPZ-XJKSGUPXSA-N 2 1 303.406 2.904 20 5 DFBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582649 302143126 /nfs/dbraw/zinc/14/31/26/302143126.db2.gz FJPWNCJLMAVNPZ-XJKSGUPXSA-N 2 1 303.406 2.904 20 5 DFBDMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473496 302290531 /nfs/dbraw/zinc/29/05/31/302290531.db2.gz BNOGYLNJMBOZCO-XJKSGUPXSA-N 2 1 303.406 2.904 20 5 DFBDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473496 302290532 /nfs/dbraw/zinc/29/05/32/302290532.db2.gz BNOGYLNJMBOZCO-XJKSGUPXSA-N 2 1 303.406 2.904 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592426343 398424452 /nfs/dbraw/zinc/42/44/52/398424452.db2.gz WPAGAOIRMUPKRH-DOTOQJQBSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592426343 398424455 /nfs/dbraw/zinc/42/44/55/398424455.db2.gz WPAGAOIRMUPKRH-DOTOQJQBSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592426344 398424519 /nfs/dbraw/zinc/42/45/19/398424519.db2.gz WPAGAOIRMUPKRH-NVXWUHKLSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592426344 398424520 /nfs/dbraw/zinc/42/45/20/398424520.db2.gz WPAGAOIRMUPKRH-NVXWUHKLSA-N 2 1 303.406 2.867 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433825 398425263 /nfs/dbraw/zinc/42/52/63/398425263.db2.gz YIYVRVAIPGGXQP-LSDHHAIUSA-N 2 1 303.406 2.806 20 5 DFBDMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000272634420 210038677 /nfs/dbraw/zinc/03/86/77/210038677.db2.gz NPDNTECENRAJKW-BXUZGUMPSA-N 2 1 311.813 2.863 20 5 DFBDMP Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591668407 398780299 /nfs/dbraw/zinc/78/02/99/398780299.db2.gz LIKXDHUPEJONEF-CQSZACIVSA-N 2 1 303.406 2.867 20 5 DFBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000594734918 398851998 /nfs/dbraw/zinc/85/19/98/398851998.db2.gz GSBLVYNDXWKZQG-CQSZACIVSA-N 2 1 309.435 2.868 20 5 DFBDMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275513145 212384470 /nfs/dbraw/zinc/38/44/70/212384470.db2.gz KNHVLVRLMHGAFW-QWHCGFSZSA-N 2 1 300.362 2.705 20 5 DFBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000093088729 193202427 /nfs/dbraw/zinc/20/24/27/193202427.db2.gz VGBNWJIXBGXTMD-FNORWQNLSA-N 2 1 303.406 2.882 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342087697 284323260 /nfs/dbraw/zinc/32/32/60/284323260.db2.gz POMDAZXRCLFDQQ-RCBQFDQVSA-N 2 1 319.405 2.553 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342087697 284323261 /nfs/dbraw/zinc/32/32/61/284323261.db2.gz POMDAZXRCLFDQQ-RCBQFDQVSA-N 2 1 319.405 2.553 20 5 DFBDMP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601111449 399230352 /nfs/dbraw/zinc/23/03/52/399230352.db2.gz SAKBWLFVHPDXBO-CYBMUJFWSA-N 2 1 300.362 2.673 20 5 DFBDMP C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000614772278 399266526 /nfs/dbraw/zinc/26/65/26/399266526.db2.gz FHTZRKQSODAFRE-LLVKDONJSA-N 2 1 306.391 2.547 20 5 DFBDMP C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000614772278 399266529 /nfs/dbraw/zinc/26/65/29/399266529.db2.gz FHTZRKQSODAFRE-LLVKDONJSA-N 2 1 306.391 2.547 20 5 DFBDMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422561017 296312753 /nfs/dbraw/zinc/31/27/53/296312753.db2.gz IMMNHFOLKSOYPW-PZAIXRNCSA-N 2 1 303.406 2.913 20 5 DFBDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602686854 399520665 /nfs/dbraw/zinc/52/06/65/399520665.db2.gz GISMKFCOTHQYJQ-LBPRGKRZSA-N 2 1 318.377 2.558 20 5 DFBDMP Cc1c(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423077014 296375541 /nfs/dbraw/zinc/37/55/41/296375541.db2.gz LBEJMFMOMQXFOR-WMLDXEAASA-N 2 1 313.401 2.951 20 5 DFBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423232867 296395309 /nfs/dbraw/zinc/39/53/09/296395309.db2.gz IWQJOVULYSMCAN-STQMWFEESA-N 2 1 309.435 2.807 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424376486 296505789 /nfs/dbraw/zinc/50/57/89/296505789.db2.gz PJUKXEYHEYVGAP-MRVWCRGKSA-N 2 1 307.394 2.914 20 5 DFBDMP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261927880 146304044 /nfs/dbraw/zinc/30/40/44/146304044.db2.gz CISICRYIMGAHSY-UHFFFAOYSA-N 2 1 309.797 2.824 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000262045968 146327568 /nfs/dbraw/zinc/32/75/68/146327568.db2.gz CJFQRIZKXLQOOH-OWCLPIDISA-N 2 1 303.406 2.995 20 5 DFBDMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000355040662 158259614 /nfs/dbraw/zinc/25/96/14/158259614.db2.gz PZAVAEXDZXGOAM-UHFFFAOYSA-N 2 1 307.369 2.794 20 5 DFBDMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000355040662 158259615 /nfs/dbraw/zinc/25/96/15/158259615.db2.gz PZAVAEXDZXGOAM-UHFFFAOYSA-N 2 1 307.369 2.794 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000315231502 268342345 /nfs/dbraw/zinc/34/23/45/268342345.db2.gz PGMCGJVSLQEIMJ-TXEJJXNPSA-N 2 1 309.797 2.680 20 5 DFBDMP CCOc1ccc([C@H](C)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000153209803 426376487 /nfs/dbraw/zinc/37/64/87/426376487.db2.gz CZKSWXFZPYNAJW-GXTWGEPZSA-N 2 1 307.394 2.738 20 5 DFBDMP CCOc1ccc([C@H](C)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000153209803 426376490 /nfs/dbraw/zinc/37/64/90/426376490.db2.gz CZKSWXFZPYNAJW-GXTWGEPZSA-N 2 1 307.394 2.738 20 5 DFBDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595580 426801533 /nfs/dbraw/zinc/80/15/33/426801533.db2.gz VPRBYZGIFIOTLB-AFDQWNBZSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595580 426801536 /nfs/dbraw/zinc/80/15/36/426801536.db2.gz VPRBYZGIFIOTLB-AFDQWNBZSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595580 426801539 /nfs/dbraw/zinc/80/15/39/426801539.db2.gz VPRBYZGIFIOTLB-AFDQWNBZSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595580 426801542 /nfs/dbraw/zinc/80/15/42/426801542.db2.gz VPRBYZGIFIOTLB-AFDQWNBZSA-N 2 1 303.406 2.880 20 5 DFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247190252 426915167 /nfs/dbraw/zinc/91/51/67/426915167.db2.gz VSSUVKVQQDCEPC-WMLDXEAASA-N 2 1 317.433 2.847 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247075062 426901512 /nfs/dbraw/zinc/90/15/12/426901512.db2.gz QAIQYJZBJBIRTM-YOEHRIQHSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247075062 426901520 /nfs/dbraw/zinc/90/15/20/426901520.db2.gz QAIQYJZBJBIRTM-YOEHRIQHSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247075062 426901527 /nfs/dbraw/zinc/90/15/27/426901527.db2.gz QAIQYJZBJBIRTM-YOEHRIQHSA-N 2 1 321.421 2.636 20 5 DFBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413020 427437329 /nfs/dbraw/zinc/43/73/29/427437329.db2.gz FODZQEXJDIPWCV-LSDHHAIUSA-N 2 1 321.421 2.746 20 5 DFBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413020 427437333 /nfs/dbraw/zinc/43/73/33/427437333.db2.gz FODZQEXJDIPWCV-LSDHHAIUSA-N 2 1 321.421 2.746 20 5 DFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773686 428241957 /nfs/dbraw/zinc/24/19/57/428241957.db2.gz UFCHADOYMZORIJ-DZGCQCFKSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773686 428241964 /nfs/dbraw/zinc/24/19/64/428241964.db2.gz UFCHADOYMZORIJ-DZGCQCFKSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773686 428241968 /nfs/dbraw/zinc/24/19/68/428241968.db2.gz UFCHADOYMZORIJ-DZGCQCFKSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773686 428241972 /nfs/dbraw/zinc/24/19/72/428241972.db2.gz UFCHADOYMZORIJ-DZGCQCFKSA-N 2 1 321.421 2.766 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000346825543 428333767 /nfs/dbraw/zinc/33/37/67/428333767.db2.gz QJUABCCRYJRFNR-BKBYIFCJSA-N 2 1 301.390 2.667 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414774705 428400766 /nfs/dbraw/zinc/40/07/66/428400766.db2.gz YXMNCBJRNFCZQD-QFQOMTDXSA-N 2 1 301.390 2.539 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788577 428410266 /nfs/dbraw/zinc/41/02/66/428410266.db2.gz XCNHPCFJYRCRQH-OLZOCXBDSA-N 2 1 307.369 2.555 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866142 428439491 /nfs/dbraw/zinc/43/94/91/428439491.db2.gz MFKVBBROYQHTQN-CWRNSKLLSA-N 2 1 303.406 2.648 20 5 DFBDMP C[C@@H](CC[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414899138 428450928 /nfs/dbraw/zinc/45/09/28/428450928.db2.gz UFSVMDKMGBKOSK-JTQLQIEISA-N 2 1 306.391 2.545 20 5 DFBDMP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000375468197 428892380 /nfs/dbraw/zinc/89/23/80/428892380.db2.gz DUZWWAVZBQGQDQ-UHFFFAOYSA-N 2 1 319.405 2.664 20 5 DFBDMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000375468197 428892386 /nfs/dbraw/zinc/89/23/86/428892386.db2.gz DUZWWAVZBQGQDQ-UHFFFAOYSA-N 2 1 319.405 2.664 20 5 DFBDMP CC[N@H+]1CC[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224671 428924781 /nfs/dbraw/zinc/92/47/81/428924781.db2.gz ONELPOLZXUBGQD-CABCVRRESA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224671 428924786 /nfs/dbraw/zinc/92/47/86/428924786.db2.gz ONELPOLZXUBGQD-CABCVRRESA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224671 428924794 /nfs/dbraw/zinc/92/47/94/428924794.db2.gz ONELPOLZXUBGQD-CABCVRRESA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224671 428924797 /nfs/dbraw/zinc/92/47/97/428924797.db2.gz ONELPOLZXUBGQD-CABCVRRESA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473495 302290561 /nfs/dbraw/zinc/29/05/61/302290561.db2.gz BNOGYLNJMBOZCO-CZUORRHYSA-N 2 1 303.406 2.904 20 5 DFBDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473495 302290563 /nfs/dbraw/zinc/29/05/63/302290563.db2.gz BNOGYLNJMBOZCO-CZUORRHYSA-N 2 1 303.406 2.904 20 5 DFBDMP C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000580093184 318375769 /nfs/dbraw/zinc/37/57/69/318375769.db2.gz BJGUHNOCTVISGQ-XJKSGUPXSA-N 2 1 303.406 2.904 20 5 DFBDMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000580341545 323373390 /nfs/dbraw/zinc/37/33/90/323373390.db2.gz DSBLPIKKBMXTEO-UHFFFAOYSA-N 2 1 314.389 2.926 20 5 DFBDMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000580341545 323373395 /nfs/dbraw/zinc/37/33/95/323373395.db2.gz DSBLPIKKBMXTEO-UHFFFAOYSA-N 2 1 314.389 2.926 20 5 DFBDMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072046 398917272 /nfs/dbraw/zinc/91/72/72/398917272.db2.gz XAVNHBAFGGSLOE-CZUORRHYSA-N 2 1 303.406 2.904 20 5 DFBDMP CC[NH+]1CCC([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000157496223 398953807 /nfs/dbraw/zinc/95/38/07/398953807.db2.gz AOTIKUKLMGTZAO-UHFFFAOYSA-N 2 1 321.421 2.780 20 5 DFBDMP CC[NH+]1CCC([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000157496223 398953810 /nfs/dbraw/zinc/95/38/10/398953810.db2.gz AOTIKUKLMGTZAO-UHFFFAOYSA-N 2 1 321.421 2.780 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420356751 296179282 /nfs/dbraw/zinc/17/92/82/296179282.db2.gz GXOIUIUCUCNRMI-CQSZACIVSA-N 2 1 303.406 2.949 20 5 DFBDMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000105875695 194153821 /nfs/dbraw/zinc/15/38/21/194153821.db2.gz QOYDSFGZULGJNL-UHFFFAOYSA-N 2 1 314.389 2.783 20 5 DFBDMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000106469487 194218984 /nfs/dbraw/zinc/21/89/84/194218984.db2.gz UJBPMYRWGYJBTP-GFCCVEGCSA-N 2 1 318.377 2.534 20 5 DFBDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602686853 399520593 /nfs/dbraw/zinc/52/05/93/399520593.db2.gz GISMKFCOTHQYJQ-GFCCVEGCSA-N 2 1 318.377 2.558 20 5 DFBDMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422951701 296359921 /nfs/dbraw/zinc/35/99/21/296359921.db2.gz ZVLFOENMUKZHSQ-LLVKDONJSA-N 2 1 300.362 2.608 20 5 DFBDMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284091002 131047665 /nfs/dbraw/zinc/04/76/65/131047665.db2.gz MGTAEGVZZMHFHY-GFCCVEGCSA-N 2 1 318.421 2.702 20 5 DFBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293770883 543021316 /nfs/dbraw/zinc/02/13/16/543021316.db2.gz PNUYANNFSGJDTE-CHWSQXEVSA-N 2 1 306.410 2.560 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000262070184 146329898 /nfs/dbraw/zinc/32/98/98/146329898.db2.gz FZRCWXQIOXACDD-UHFFFAOYSA-N 2 1 303.406 2.601 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371480943 150053835 /nfs/dbraw/zinc/05/38/35/150053835.db2.gz SCXISNWBTBETIX-HIFRSBDPSA-N 2 1 314.389 2.717 20 5 DFBDMP [NH3+]CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000352507919 286392386 /nfs/dbraw/zinc/39/23/86/286392386.db2.gz FAFSCDGGHVQQIW-UHFFFAOYSA-N 2 1 305.422 2.978 20 5 DFBDMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761087 425947114 /nfs/dbraw/zinc/94/71/14/425947114.db2.gz XBHDJOHZZVFPGF-RDJZCZTQSA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761087 425947115 /nfs/dbraw/zinc/94/71/15/425947115.db2.gz XBHDJOHZZVFPGF-RDJZCZTQSA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761087 425947116 /nfs/dbraw/zinc/94/71/16/425947116.db2.gz XBHDJOHZZVFPGF-RDJZCZTQSA-N 2 1 303.406 2.553 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150832446 426263529 /nfs/dbraw/zinc/26/35/29/426263529.db2.gz PBLIWZCFIKNSFT-INIZCTEOSA-N 2 1 303.406 2.555 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150832446 426263531 /nfs/dbraw/zinc/26/35/31/426263531.db2.gz PBLIWZCFIKNSFT-INIZCTEOSA-N 2 1 303.406 2.555 20 5 DFBDMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000268825078 427130686 /nfs/dbraw/zinc/13/06/86/427130686.db2.gz PDWMPYKSMQFXTC-MRXNPFEDSA-N 2 1 309.410 2.604 20 5 DFBDMP CN(Cc1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285453433 427237323 /nfs/dbraw/zinc/23/73/23/427237323.db2.gz JFSNUBGXOBKXAE-NNQSOWQGSA-N 2 1 307.369 2.791 20 5 DFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183428596 427267180 /nfs/dbraw/zinc/26/71/80/427267180.db2.gz YPSWWTMCVAXMBK-LBPRGKRZSA-N 2 1 302.378 2.834 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000346825549 428335061 /nfs/dbraw/zinc/33/50/61/428335061.db2.gz QJUABCCRYJRFNR-WEMDRRJRSA-N 2 1 301.390 2.667 20 5 DFBDMP C[C@H]1C[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]1 ZINC000414677624 428373181 /nfs/dbraw/zinc/37/31/81/428373181.db2.gz PFFRVSKUANSYOF-DZGCQCFKSA-N 2 1 303.406 2.947 20 5 DFBDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000353389820 428517174 /nfs/dbraw/zinc/51/71/74/428517174.db2.gz XIDMWOKZLDBQKX-ZNMIVQPWSA-N 2 1 319.405 2.566 20 5 DFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203201 428914952 /nfs/dbraw/zinc/91/49/52/428914952.db2.gz ALQLZXFZAWHYLG-GDBMZVCRSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203201 428914955 /nfs/dbraw/zinc/91/49/55/428914955.db2.gz ALQLZXFZAWHYLG-GDBMZVCRSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203201 428914959 /nfs/dbraw/zinc/91/49/59/428914959.db2.gz ALQLZXFZAWHYLG-GDBMZVCRSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203201 428914963 /nfs/dbraw/zinc/91/49/63/428914963.db2.gz ALQLZXFZAWHYLG-GDBMZVCRSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@@H]1C[N@H+]([C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@]1(C)C[NH3+] ZINC000423503455 429100699 /nfs/dbraw/zinc/10/06/99/429100699.db2.gz DVHNBMJGWSNMGQ-FSPWUOQZSA-N 2 1 317.433 2.833 20 5 DFBDMP C[C@@H]1CC2(C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424295299 429121875 /nfs/dbraw/zinc/12/18/75/429121875.db2.gz RDYFUVWYTRFIAM-GFCCVEGCSA-N 2 1 307.369 2.698 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363874800 429132121 /nfs/dbraw/zinc/13/21/21/429132121.db2.gz JFQPAJQPVHCYEJ-BPQIPLTHSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363874800 429132123 /nfs/dbraw/zinc/13/21/23/429132123.db2.gz JFQPAJQPVHCYEJ-BPQIPLTHSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363874800 429132125 /nfs/dbraw/zinc/13/21/25/429132125.db2.gz JFQPAJQPVHCYEJ-BPQIPLTHSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363874800 429132126 /nfs/dbraw/zinc/13/21/26/429132126.db2.gz JFQPAJQPVHCYEJ-BPQIPLTHSA-N 2 1 315.417 2.819 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449082971 429327139 /nfs/dbraw/zinc/32/71/39/429327139.db2.gz RHIOFLPPLUBANN-UKPHBRMFSA-N 2 1 303.406 2.742 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000449082971 429327141 /nfs/dbraw/zinc/32/71/41/429327141.db2.gz RHIOFLPPLUBANN-UKPHBRMFSA-N 2 1 303.406 2.742 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784628 429510202 /nfs/dbraw/zinc/51/02/02/429510202.db2.gz XRSDSTNSCFPMDZ-CQSZACIVSA-N 2 1 305.422 2.990 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784628 429510205 /nfs/dbraw/zinc/51/02/05/429510205.db2.gz XRSDSTNSCFPMDZ-CQSZACIVSA-N 2 1 305.422 2.990 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367625175 429689874 /nfs/dbraw/zinc/68/98/74/429689874.db2.gz XDCZQXYRPQYVAC-OAGGEKHMSA-N 2 1 319.405 2.566 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367625175 429689877 /nfs/dbraw/zinc/68/98/77/429689877.db2.gz XDCZQXYRPQYVAC-OAGGEKHMSA-N 2 1 319.405 2.566 20 5 DFBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000158107077 295358141 /nfs/dbraw/zinc/35/81/41/295358141.db2.gz VYVRQRHPWBHUCT-PBHICJAKSA-N 2 1 317.433 2.847 20 5 DFBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000539089283 301337841 /nfs/dbraw/zinc/33/78/41/301337841.db2.gz QUNJDTCMPSRWQR-WMLDXEAASA-N 2 1 305.422 2.847 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449559601 317044902 /nfs/dbraw/zinc/04/49/02/317044902.db2.gz CBHYNDUJAXACPJ-WWTUQBGBSA-N 2 1 303.406 2.741 20 5 DFBDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889453 318048303 /nfs/dbraw/zinc/04/83/03/318048303.db2.gz AIVIQDATHGOXGR-CJNGLKHVSA-N 2 1 303.406 2.904 20 5 DFBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576143152 318106660 /nfs/dbraw/zinc/10/66/60/318106660.db2.gz NRJUSNVIMPZKLW-BLLLJJGKSA-N 2 1 316.405 2.548 20 5 DFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600678636 399115830 /nfs/dbraw/zinc/11/58/30/399115830.db2.gz NRJWFIXATPVVRM-XJKSGUPXSA-N 2 1 303.406 2.790 20 5 DFBDMP C[NH+](C)CC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601105071 399228057 /nfs/dbraw/zinc/22/80/57/399228057.db2.gz SVYXFQLZISYMMH-UHFFFAOYSA-N 2 1 314.389 2.921 20 5 DFBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C[NH3+] ZINC000602022240 399386209 /nfs/dbraw/zinc/38/62/09/399386209.db2.gz SBUIBHINYGYJQP-STQMWFEESA-N 2 1 315.373 2.881 20 5 DFBDMP CCC[NH+]1CCC([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109786148 194284836 /nfs/dbraw/zinc/28/48/36/194284836.db2.gz OOFIYTCYCHICQW-UHFFFAOYSA-N 2 1 321.421 2.780 20 5 DFBDMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109786148 194284838 /nfs/dbraw/zinc/28/48/38/194284838.db2.gz OOFIYTCYCHICQW-UHFFFAOYSA-N 2 1 321.421 2.780 20 5 DFBDMP CC(C)(CC[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000422557033 296312029 /nfs/dbraw/zinc/31/20/29/296312029.db2.gz VEDLRBFMOUOJHV-UHFFFAOYSA-N 2 1 320.418 2.935 20 5 DFBDMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268849099 207014728 /nfs/dbraw/zinc/01/47/28/207014728.db2.gz XNCCKWWDXGNXRB-INIZCTEOSA-N 2 1 314.389 2.711 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422709112 296319653 /nfs/dbraw/zinc/31/96/53/296319653.db2.gz CSYUJZQXBPJJIZ-HRCADAONSA-N 2 1 319.405 2.614 20 5 DFBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000373028606 285144525 /nfs/dbraw/zinc/14/45/25/285144525.db2.gz KQSQTAXZSHTNCD-BBRMVZONSA-N 2 1 312.373 2.773 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423220058 296393611 /nfs/dbraw/zinc/39/36/11/296393611.db2.gz XVFXAKZJYDYSFF-QWHCGFSZSA-N 2 1 307.394 2.644 20 5 DFBDMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423268787 296399019 /nfs/dbraw/zinc/39/90/19/296399019.db2.gz DYGKZTMIAPDXMT-BMFZPTHFSA-N 2 1 303.406 2.633 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602845923 399599083 /nfs/dbraw/zinc/59/90/83/399599083.db2.gz NFRYRKOETHNIQK-UHFFFAOYSA-N 2 1 312.373 2.702 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245414423 146067903 /nfs/dbraw/zinc/06/79/03/146067903.db2.gz CFXALTJLJMGIQV-YOEHRIQHSA-N 2 1 305.422 2.799 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245414423 146067905 /nfs/dbraw/zinc/06/79/05/146067905.db2.gz CFXALTJLJMGIQV-YOEHRIQHSA-N 2 1 305.422 2.799 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245414423 146067907 /nfs/dbraw/zinc/06/79/07/146067907.db2.gz CFXALTJLJMGIQV-YOEHRIQHSA-N 2 1 305.422 2.799 20 5 DFBDMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246194989 146128271 /nfs/dbraw/zinc/12/82/71/146128271.db2.gz LLZYSDMWHPURHL-JKSUJKDBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246194989 146128273 /nfs/dbraw/zinc/12/82/73/146128273.db2.gz LLZYSDMWHPURHL-JKSUJKDBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000246194989 146128275 /nfs/dbraw/zinc/12/82/75/146128275.db2.gz LLZYSDMWHPURHL-JKSUJKDBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000246194989 146128276 /nfs/dbraw/zinc/12/82/76/146128276.db2.gz LLZYSDMWHPURHL-JKSUJKDBSA-N 2 1 303.406 2.819 20 5 DFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261797689 146278542 /nfs/dbraw/zinc/27/85/42/146278542.db2.gz GQKKMUQTRAPBLC-FUNVUKJBSA-N 2 1 309.797 2.963 20 5 DFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261797689 146278544 /nfs/dbraw/zinc/27/85/44/146278544.db2.gz GQKKMUQTRAPBLC-FUNVUKJBSA-N 2 1 309.797 2.963 20 5 DFBDMP C[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000358170647 148270100 /nfs/dbraw/zinc/27/01/00/148270100.db2.gz FDNCIJHNOLFASB-GDBMZVCRSA-N 2 1 305.422 2.990 20 5 DFBDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278856287 268268374 /nfs/dbraw/zinc/26/83/74/268268374.db2.gz VZBWBVVHFZUHCQ-MRXNPFEDSA-N 2 1 300.362 2.767 20 5 DFBDMP C[NH+](C)[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000166202458 426125885 /nfs/dbraw/zinc/12/58/85/426125885.db2.gz NMUSPTZZFPCPKA-FUHWJXTLSA-N 2 1 317.433 2.846 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000136298594 426239291 /nfs/dbraw/zinc/23/92/91/426239291.db2.gz VWBPXDNHTXVTEC-UHFFFAOYSA-N 2 1 318.377 2.501 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000136298594 426239292 /nfs/dbraw/zinc/23/92/92/426239292.db2.gz VWBPXDNHTXVTEC-UHFFFAOYSA-N 2 1 318.377 2.501 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000153013078 426366122 /nfs/dbraw/zinc/36/61/22/426366122.db2.gz ZSVVRGVSHXLDNQ-UONOGXRCSA-N 2 1 321.421 2.986 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292064147 427074700 /nfs/dbraw/zinc/07/47/00/427074700.db2.gz CXUIZOFSPAASLK-RHSMWYFYSA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292064147 427074708 /nfs/dbraw/zinc/07/47/08/427074708.db2.gz CXUIZOFSPAASLK-RHSMWYFYSA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292064147 427074714 /nfs/dbraw/zinc/07/47/14/427074714.db2.gz CXUIZOFSPAASLK-RHSMWYFYSA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292064147 427074720 /nfs/dbraw/zinc/07/47/20/427074720.db2.gz CXUIZOFSPAASLK-RHSMWYFYSA-N 2 1 303.406 2.992 20 5 DFBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413017 427437437 /nfs/dbraw/zinc/43/74/37/427437437.db2.gz FODZQEXJDIPWCV-GJZGRUSLSA-N 2 1 321.421 2.746 20 5 DFBDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413017 427437441 /nfs/dbraw/zinc/43/74/41/427437441.db2.gz FODZQEXJDIPWCV-GJZGRUSLSA-N 2 1 321.421 2.746 20 5 DFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000359457421 427860330 /nfs/dbraw/zinc/86/03/30/427860330.db2.gz NLGXPTIIFCMBBO-BETUJISGSA-N 2 1 313.357 2.506 20 5 DFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000359457421 427860335 /nfs/dbraw/zinc/86/03/35/427860335.db2.gz NLGXPTIIFCMBBO-BETUJISGSA-N 2 1 313.357 2.506 20 5 DFBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[NH+]1C ZINC000352543869 428144720 /nfs/dbraw/zinc/14/47/20/428144720.db2.gz KVDQARBZBSGBID-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[NH+]1C ZINC000352543869 428144722 /nfs/dbraw/zinc/14/47/22/428144722.db2.gz KVDQARBZBSGBID-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@@H+]1C ZINC000352543869 428144727 /nfs/dbraw/zinc/14/47/27/428144727.db2.gz KVDQARBZBSGBID-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@H+]1C ZINC000352543869 428144733 /nfs/dbraw/zinc/14/47/33/428144733.db2.gz KVDQARBZBSGBID-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353048606 428369721 /nfs/dbraw/zinc/36/97/21/428369721.db2.gz VJNITKNFMVXHTB-RISCZKNCSA-N 2 1 311.813 2.721 20 5 DFBDMP C[C@@H]1C[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]1 ZINC000414677629 428373084 /nfs/dbraw/zinc/37/30/84/428373084.db2.gz PFFRVSKUANSYOF-UKRRQHHQSA-N 2 1 303.406 2.947 20 5 DFBDMP C[C@H]1C[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682025 428373238 /nfs/dbraw/zinc/37/32/38/428373238.db2.gz XKCFXQMOXWDWIX-UONOGXRCSA-N 2 1 303.406 2.947 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415037676 428495631 /nfs/dbraw/zinc/49/56/31/428495631.db2.gz HCLOIWQHWHVHFS-PBHICJAKSA-N 2 1 303.406 2.867 20 5 DFBDMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414958612 428472502 /nfs/dbraw/zinc/47/25/02/428472502.db2.gz PHCKONYQQQDYQF-IUODEOHRSA-N 2 1 315.373 2.942 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cc[nH+]c1C ZINC000344842350 428710869 /nfs/dbraw/zinc/71/08/69/428710869.db2.gz AZFJCLLNNUQOEF-RAXLEYEMSA-N 2 1 300.362 2.793 20 5 DFBDMP C[N@H+]1CCCC12CCN(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000375807595 428980859 /nfs/dbraw/zinc/98/08/59/428980859.db2.gz BXIMHZKFTYJNQU-UHFFFAOYSA-N 2 1 319.405 2.534 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000423383785 429079440 /nfs/dbraw/zinc/07/94/40/429079440.db2.gz FGCVLLZVHGDHBX-DYEKYZERSA-N 2 1 307.394 2.642 20 5 DFBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000373028675 275038482 /nfs/dbraw/zinc/03/84/82/275038482.db2.gz KQSQTAXZSHTNCD-CZUORRHYSA-N 2 1 312.373 2.773 20 5 DFBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000373028676 275038606 /nfs/dbraw/zinc/03/86/06/275038606.db2.gz KQSQTAXZSHTNCD-XJKSGUPXSA-N 2 1 312.373 2.773 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000449070789 429323400 /nfs/dbraw/zinc/32/34/00/429323400.db2.gz LICHZMFKXYLRIO-CYBMUJFWSA-N 2 1 303.406 2.742 20 5 DFBDMP CC[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078918 429326145 /nfs/dbraw/zinc/32/61/45/429326145.db2.gz WUMBYSXSWXWOAS-HOCLYGCPSA-N 2 1 305.422 2.990 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449082972 429327854 /nfs/dbraw/zinc/32/78/54/429327854.db2.gz RHIOFLPPLUBANN-UNEWFSDZSA-N 2 1 303.406 2.742 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000449082972 429327856 /nfs/dbraw/zinc/32/78/56/429327856.db2.gz RHIOFLPPLUBANN-UNEWFSDZSA-N 2 1 303.406 2.742 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449082969 429327999 /nfs/dbraw/zinc/32/79/99/429327999.db2.gz RHIOFLPPLUBANN-FRFSOERESA-N 2 1 303.406 2.742 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000449082969 429328002 /nfs/dbraw/zinc/32/80/02/429328002.db2.gz RHIOFLPPLUBANN-FRFSOERESA-N 2 1 303.406 2.742 20 5 DFBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088993 429328684 /nfs/dbraw/zinc/32/86/84/429328684.db2.gz CNPOKXSJVLFWFE-GJZGRUSLSA-N 2 1 305.422 2.847 20 5 DFBDMP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000365550859 429340578 /nfs/dbraw/zinc/34/05/78/429340578.db2.gz SRFLABXDGDNRIU-LLVKDONJSA-N 2 1 320.780 2.797 20 5 DFBDMP C[N@H+]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000367553660 429670296 /nfs/dbraw/zinc/67/02/96/429670296.db2.gz QGOKBMBKSFQUSE-YESZJQIVSA-N 2 1 303.406 2.600 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368874045 429899579 /nfs/dbraw/zinc/89/95/79/429899579.db2.gz CAWOZLJRBKNEAK-HFPBVCCTSA-N 2 1 301.390 2.824 20 5 DFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537905 297307223 /nfs/dbraw/zinc/30/72/23/297307223.db2.gz ZHTFNBWGPYBRTQ-GJZGRUSLSA-N 2 1 323.441 2.595 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402758 298090320 /nfs/dbraw/zinc/09/03/20/298090320.db2.gz NSWZXLSGCUGCOP-CQSZACIVSA-N 2 1 305.422 2.990 20 5 DFBDMP Cn1c[nH+]cc1CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000575192390 318069619 /nfs/dbraw/zinc/06/96/19/318069619.db2.gz AIMRHZIXPWVVFP-UHFFFAOYSA-N 2 1 314.389 2.926 20 5 DFBDMP Cn1c[nH+]cc1CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000575192390 318069622 /nfs/dbraw/zinc/06/96/22/318069622.db2.gz AIMRHZIXPWVVFP-UHFFFAOYSA-N 2 1 314.389 2.926 20 5 DFBDMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248832132 398409510 /nfs/dbraw/zinc/40/95/10/398409510.db2.gz HSZVDQWIEHCDKT-GUYCJALGSA-N 2 1 303.406 2.904 20 5 DFBDMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000593315563 398596418 /nfs/dbraw/zinc/59/64/18/398596418.db2.gz LMCNVMPOSILBQE-DVJJNNKXSA-N 2 1 301.390 2.669 20 5 DFBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000593315563 398596422 /nfs/dbraw/zinc/59/64/22/398596422.db2.gz LMCNVMPOSILBQE-DVJJNNKXSA-N 2 1 301.390 2.669 20 5 DFBDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270453833 186394088 /nfs/dbraw/zinc/39/40/88/186394088.db2.gz LHKBCCGUELYLNV-OAHLLOKOSA-N 2 1 303.406 2.759 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459731582 299174776 /nfs/dbraw/zinc/17/47/76/299174776.db2.gz FHLSIOWUXSFDJU-HUUCEWRRSA-N 2 1 305.422 2.847 20 5 DFBDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174210919 198306000 /nfs/dbraw/zinc/30/60/00/198306000.db2.gz BRWPVIIYLUGZAZ-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174210919 198306002 /nfs/dbraw/zinc/30/60/02/198306002.db2.gz BRWPVIIYLUGZAZ-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP Cc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000593970482 398711359 /nfs/dbraw/zinc/71/13/59/398711359.db2.gz LPIPKMKYTIZMPD-ZDUSSCGKSA-N 2 1 302.378 2.920 20 5 DFBDMP Cc1c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000591658925 398779320 /nfs/dbraw/zinc/77/93/20/398779320.db2.gz GNSQBKGLKBSHQO-ZDUSSCGKSA-N 2 1 303.406 2.867 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594495348 398809772 /nfs/dbraw/zinc/80/97/72/398809772.db2.gz VLMPTJPZFPITCA-ZENOOKHLSA-N 2 1 301.390 2.799 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000594495348 398809774 /nfs/dbraw/zinc/80/97/74/398809774.db2.gz VLMPTJPZFPITCA-ZENOOKHLSA-N 2 1 301.390 2.799 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594734593 398851464 /nfs/dbraw/zinc/85/14/64/398851464.db2.gz CAGBNQXPYCGCJH-OAHLLOKOSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000600712776 399120577 /nfs/dbraw/zinc/12/05/77/399120577.db2.gz YPQCHKKIJYEFAP-NVXWUHKLSA-N 2 1 315.417 2.790 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337888 296177157 /nfs/dbraw/zinc/17/71/57/296177157.db2.gz KFTSSHMKBFBETJ-OAHLLOKOSA-N 2 1 307.369 2.698 20 5 DFBDMP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000601129663 399235759 /nfs/dbraw/zinc/23/57/59/399235759.db2.gz WEOIOEHGZZUKGW-BZNIZROVSA-N 2 1 300.362 2.529 20 5 DFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000610762495 399403291 /nfs/dbraw/zinc/40/32/91/399403291.db2.gz PKYFNVQIKUKKRH-CQSZACIVSA-N 2 1 312.373 2.873 20 5 DFBDMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000423193642 296390730 /nfs/dbraw/zinc/39/07/30/296390730.db2.gz XPXZSFBZUFCJNN-AWEZNQCLSA-N 2 1 314.389 2.820 20 5 DFBDMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423268788 296399002 /nfs/dbraw/zinc/39/90/02/296399002.db2.gz DYGKZTMIAPDXMT-BPUTZDHNSA-N 2 1 303.406 2.633 20 5 DFBDMP C[NH+]1CCC2(CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000602877372 399612033 /nfs/dbraw/zinc/61/20/33/399612033.db2.gz MISRDGVTIGTPLT-UHFFFAOYSA-N 2 1 307.369 2.652 20 5 DFBDMP C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000358170658 148269926 /nfs/dbraw/zinc/26/99/26/148269926.db2.gz FDNCIJHNOLFASB-ZBFHGGJFSA-N 2 1 305.422 2.990 20 5 DFBDMP C[NH+]1CCC2(CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000374171573 150316815 /nfs/dbraw/zinc/31/68/15/150316815.db2.gz JHCZGULMVPWPPB-UHFFFAOYSA-N 2 1 317.433 2.945 20 5 DFBDMP COc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000352510922 286393174 /nfs/dbraw/zinc/39/31/74/286393174.db2.gz PKWACAGDDVRQLG-UHFFFAOYSA-N 2 1 321.421 2.944 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442920993 297210989 /nfs/dbraw/zinc/21/09/89/297210989.db2.gz MIIDDAJVBCBEQD-CYBMUJFWSA-N 2 1 307.394 2.554 20 5 DFBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000273144092 426601213 /nfs/dbraw/zinc/60/12/13/426601213.db2.gz WDWZTMJQDUSDJS-UHFFFAOYSA-N 2 1 308.769 2.933 20 5 DFBDMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000279014340 427531991 /nfs/dbraw/zinc/53/19/91/427531991.db2.gz UDINBQIRQDXRPV-QWHCGFSZSA-N 2 1 300.362 2.705 20 5 DFBDMP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346828801 428333659 /nfs/dbraw/zinc/33/36/59/428333659.db2.gz ITBIEEJJQHSEKI-NUEKZKHPSA-N 2 1 303.406 2.887 20 5 DFBDMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346828801 428333662 /nfs/dbraw/zinc/33/36/62/428333662.db2.gz ITBIEEJJQHSEKI-NUEKZKHPSA-N 2 1 303.406 2.887 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779844 428403709 /nfs/dbraw/zinc/40/37/09/428403709.db2.gz KQUWMXPHPCAMBJ-ZBFHGGJFSA-N 2 1 303.406 2.725 20 5 DFBDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414785409 428408033 /nfs/dbraw/zinc/40/80/33/428408033.db2.gz SPFPCTUYYSCQCM-HOTGVXAUSA-N 2 1 303.406 2.725 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000423566290 428971965 /nfs/dbraw/zinc/97/19/65/428971965.db2.gz TZBALXFGNKUSEM-GFCCVEGCSA-N 2 1 307.394 2.786 20 5 DFBDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382773 429076942 /nfs/dbraw/zinc/07/69/42/429076942.db2.gz PCQJUGOTWJJBHR-RCBQFDQVSA-N 2 1 303.406 2.646 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000449077704 429325319 /nfs/dbraw/zinc/32/53/19/429325319.db2.gz SQGPRJCBRZJKSZ-KBPBESRZSA-N 2 1 303.406 2.600 20 5 DFBDMP CC[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078916 429325766 /nfs/dbraw/zinc/32/57/66/429325766.db2.gz WUMBYSXSWXWOAS-GDBMZVCRSA-N 2 1 305.422 2.990 20 5 DFBDMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000375852288 277171319 /nfs/dbraw/zinc/17/13/19/277171319.db2.gz NKAKOLDVMUNWQT-IXDOHACOSA-N 2 1 303.406 2.600 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292064141 281020268 /nfs/dbraw/zinc/02/02/68/281020268.db2.gz CXUIZOFSPAASLK-PBHICJAKSA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292064141 281020274 /nfs/dbraw/zinc/02/02/74/281020274.db2.gz CXUIZOFSPAASLK-PBHICJAKSA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292064141 281020276 /nfs/dbraw/zinc/02/02/76/281020276.db2.gz CXUIZOFSPAASLK-PBHICJAKSA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292064141 281020278 /nfs/dbraw/zinc/02/02/78/281020278.db2.gz CXUIZOFSPAASLK-PBHICJAKSA-N 2 1 303.406 2.992 20 5 DFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537906 297307366 /nfs/dbraw/zinc/30/73/66/297307366.db2.gz ZHTFNBWGPYBRTQ-HUUCEWRRSA-N 2 1 323.441 2.595 20 5 DFBDMP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000516679272 300355223 /nfs/dbraw/zinc/35/52/23/300355223.db2.gz MMWIFGTVEVCRDS-JSGCOSHPSA-N 2 1 316.405 2.691 20 5 DFBDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423669 302070990 /nfs/dbraw/zinc/07/09/90/302070990.db2.gz OGPHRKAZUYWFOE-BBRMVZONSA-N 2 1 303.406 2.902 20 5 DFBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423669 302070992 /nfs/dbraw/zinc/07/09/92/302070992.db2.gz OGPHRKAZUYWFOE-BBRMVZONSA-N 2 1 303.406 2.902 20 5 DFBDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889454 318048238 /nfs/dbraw/zinc/04/82/38/318048238.db2.gz AIVIQDATHGOXGR-CZUORRHYSA-N 2 1 303.406 2.904 20 5 DFBDMP COc1ccc(-c2ccc(C[N@H+](C)CCC[NH3+])o2)c([N+](=O)[O-])c1 ZINC000578506733 318265645 /nfs/dbraw/zinc/26/56/45/318265645.db2.gz XIRKIUMZWLOEBL-UHFFFAOYSA-N 2 1 319.361 2.644 20 5 DFBDMP COc1ccc(-c2ccc(C[N@@H+](C)CCC[NH3+])o2)c([N+](=O)[O-])c1 ZINC000578506733 318265646 /nfs/dbraw/zinc/26/56/46/318265646.db2.gz XIRKIUMZWLOEBL-UHFFFAOYSA-N 2 1 319.361 2.644 20 5 DFBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192847401 323248264 /nfs/dbraw/zinc/24/82/64/323248264.db2.gz HSZVDQWIEHCDKT-CXAGYDPISA-N 2 1 303.406 2.904 20 5 DFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248759945 398408712 /nfs/dbraw/zinc/40/87/12/398408712.db2.gz DFYGCCKOQNNPCS-GUYCJALGSA-N 2 1 303.406 2.904 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592426347 398424488 /nfs/dbraw/zinc/42/44/88/398424488.db2.gz WPAGAOIRMUPKRH-WBVHZDCISA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592426347 398424492 /nfs/dbraw/zinc/42/44/92/398424492.db2.gz WPAGAOIRMUPKRH-WBVHZDCISA-N 2 1 303.406 2.867 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000592433636 398425059 /nfs/dbraw/zinc/42/50/59/398425059.db2.gz MXHOJXNIFCILRN-KBPBESRZSA-N 2 1 321.396 2.946 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594495343 398809633 /nfs/dbraw/zinc/80/96/33/398809633.db2.gz VLMPTJPZFPITCA-IOASZLSFSA-N 2 1 301.390 2.799 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000594495343 398809635 /nfs/dbraw/zinc/80/96/35/398809635.db2.gz VLMPTJPZFPITCA-IOASZLSFSA-N 2 1 301.390 2.799 20 5 DFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594735704 398852128 /nfs/dbraw/zinc/85/21/28/398852128.db2.gz NFFWJAHMMDHYNY-MRXNPFEDSA-N 2 1 303.406 2.806 20 5 DFBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000092253459 193180954 /nfs/dbraw/zinc/18/09/54/193180954.db2.gz TVEVAJJLSAUZAJ-PPYMECGQSA-N 2 1 303.406 2.882 20 5 DFBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000092253459 193180955 /nfs/dbraw/zinc/18/09/55/193180955.db2.gz TVEVAJJLSAUZAJ-PPYMECGQSA-N 2 1 303.406 2.882 20 5 DFBDMP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000092253459 193180957 /nfs/dbraw/zinc/18/09/57/193180957.db2.gz TVEVAJJLSAUZAJ-PPYMECGQSA-N 2 1 303.406 2.882 20 5 DFBDMP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000092253459 193180958 /nfs/dbraw/zinc/18/09/58/193180958.db2.gz TVEVAJJLSAUZAJ-PPYMECGQSA-N 2 1 303.406 2.882 20 5 DFBDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600707131 399120544 /nfs/dbraw/zinc/12/05/44/399120544.db2.gz GUHZOOMECOWUQA-XHSDSOJGSA-N 2 1 303.406 2.646 20 5 DFBDMP NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788387 399146468 /nfs/dbraw/zinc/14/64/68/399146468.db2.gz IZDBXBGEZMHAGM-INIZCTEOSA-N 2 1 312.373 2.580 20 5 DFBDMP NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788387 399146472 /nfs/dbraw/zinc/14/64/72/399146472.db2.gz IZDBXBGEZMHAGM-INIZCTEOSA-N 2 1 312.373 2.580 20 5 DFBDMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788387 399146474 /nfs/dbraw/zinc/14/64/74/399146474.db2.gz IZDBXBGEZMHAGM-INIZCTEOSA-N 2 1 312.373 2.580 20 5 DFBDMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788387 399146478 /nfs/dbraw/zinc/14/64/78/399146478.db2.gz IZDBXBGEZMHAGM-INIZCTEOSA-N 2 1 312.373 2.580 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338953 296177555 /nfs/dbraw/zinc/17/75/55/296177555.db2.gz YKWUYCSHRSJLMU-OLZOCXBDSA-N 2 1 307.369 2.555 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000420354827 296179317 /nfs/dbraw/zinc/17/93/17/296179317.db2.gz DNOFQMRAJPNNDU-AWEZNQCLSA-N 2 1 303.406 2.949 20 5 DFBDMP C[NH+](C)C1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601176303 399248451 /nfs/dbraw/zinc/24/84/51/399248451.db2.gz USRKCBMQFVBOJQ-UHFFFAOYSA-N 2 1 314.389 2.850 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423220059 296393597 /nfs/dbraw/zinc/39/35/97/296393597.db2.gz XVFXAKZJYDYSFF-STQMWFEESA-N 2 1 307.394 2.644 20 5 DFBDMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294744506 224205977 /nfs/dbraw/zinc/20/59/77/224205977.db2.gz LOFSAFOAYVWCQL-FPMFFAJLSA-N 2 1 306.410 2.700 20 5 DFBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293770891 543021125 /nfs/dbraw/zinc/02/11/25/543021125.db2.gz PNUYANNFSGJDTE-QWHCGFSZSA-N 2 1 306.410 2.560 20 5 DFBDMP CC[N@@H+](C)C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255575217 146234221 /nfs/dbraw/zinc/23/42/21/146234221.db2.gz OTSYCICUKFOTAZ-DDJMYBDESA-N 2 1 303.406 2.882 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000175719146 426323234 /nfs/dbraw/zinc/32/32/34/426323234.db2.gz QAIQYJZBJBIRTM-PBHICJAKSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000175719146 426323238 /nfs/dbraw/zinc/32/32/38/426323238.db2.gz QAIQYJZBJBIRTM-PBHICJAKSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000175719146 426323242 /nfs/dbraw/zinc/32/32/42/426323242.db2.gz QAIQYJZBJBIRTM-PBHICJAKSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247075045 426900612 /nfs/dbraw/zinc/90/06/12/426900612.db2.gz QAIQYJZBJBIRTM-WMLDXEAASA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247075045 426900618 /nfs/dbraw/zinc/90/06/18/426900618.db2.gz QAIQYJZBJBIRTM-WMLDXEAASA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247075045 426900625 /nfs/dbraw/zinc/90/06/25/426900625.db2.gz QAIQYJZBJBIRTM-WMLDXEAASA-N 2 1 321.421 2.636 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293660821 427395790 /nfs/dbraw/zinc/39/57/90/427395790.db2.gz NTGFWVSUSBLOLZ-KRWDZBQOSA-N 2 1 303.406 2.821 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293660821 427395796 /nfs/dbraw/zinc/39/57/96/427395796.db2.gz NTGFWVSUSBLOLZ-KRWDZBQOSA-N 2 1 303.406 2.821 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293660821 427395802 /nfs/dbraw/zinc/39/58/02/427395802.db2.gz NTGFWVSUSBLOLZ-KRWDZBQOSA-N 2 1 303.406 2.821 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293660821 427395806 /nfs/dbraw/zinc/39/58/06/427395806.db2.gz NTGFWVSUSBLOLZ-KRWDZBQOSA-N 2 1 303.406 2.821 20 5 DFBDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192663454 427581812 /nfs/dbraw/zinc/58/18/12/427581812.db2.gz MWFWJLTURDTKLB-QGZVFWFLSA-N 2 1 321.421 2.530 20 5 DFBDMP Cc1[nH+]ccn1CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263816786 427581687 /nfs/dbraw/zinc/58/16/87/427581687.db2.gz OTPVZOYWLCRVFR-QPJJXVBHSA-N 2 1 300.362 2.793 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271825696 427588145 /nfs/dbraw/zinc/58/81/45/427588145.db2.gz DCJVLEVOEAFCIU-CQSZACIVSA-N 2 1 303.406 2.767 20 5 DFBDMP Cc1c(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000369617748 428018048 /nfs/dbraw/zinc/01/80/48/428018048.db2.gz QXLADPHPGJWPEH-AWEZNQCLSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000369617748 428018053 /nfs/dbraw/zinc/01/80/53/428018053.db2.gz QXLADPHPGJWPEH-AWEZNQCLSA-N 2 1 314.389 2.794 20 5 DFBDMP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346828798 428335663 /nfs/dbraw/zinc/33/56/63/428335663.db2.gz ITBIEEJJQHSEKI-CWRNSKLLSA-N 2 1 303.406 2.887 20 5 DFBDMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346828798 428335668 /nfs/dbraw/zinc/33/56/68/428335668.db2.gz ITBIEEJJQHSEKI-CWRNSKLLSA-N 2 1 303.406 2.887 20 5 DFBDMP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039515 428495950 /nfs/dbraw/zinc/49/59/50/428495950.db2.gz JAMCLUGNCKPPTP-CVEARBPZSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039515 428495954 /nfs/dbraw/zinc/49/59/54/428495954.db2.gz JAMCLUGNCKPPTP-CVEARBPZSA-N 2 1 303.406 2.867 20 5 DFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058900 428504619 /nfs/dbraw/zinc/50/46/19/428504619.db2.gz SGFWZZWXKAGXCP-JKIFEVAISA-N 2 1 305.422 2.833 20 5 DFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCc2nccn2C1 ZINC000374863941 428767046 /nfs/dbraw/zinc/76/70/46/428767046.db2.gz PTBHMLXUWBPBSN-ZDUSSCGKSA-N 2 1 318.352 2.625 20 5 DFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000374863941 428767052 /nfs/dbraw/zinc/76/70/52/428767052.db2.gz PTBHMLXUWBPBSN-ZDUSSCGKSA-N 2 1 318.352 2.625 20 5 DFBDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382775 429077636 /nfs/dbraw/zinc/07/76/36/429077636.db2.gz PCQJUGOTWJJBHR-VBNZEHGJSA-N 2 1 303.406 2.646 20 5 DFBDMP CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623089 429153848 /nfs/dbraw/zinc/15/38/48/429153848.db2.gz BRUHGPWWOMRKMD-AWEZNQCLSA-N 2 1 307.394 2.567 20 5 DFBDMP CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623089 429153852 /nfs/dbraw/zinc/15/38/52/429153852.db2.gz BRUHGPWWOMRKMD-AWEZNQCLSA-N 2 1 307.394 2.567 20 5 DFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071190 429323181 /nfs/dbraw/zinc/32/31/81/429323181.db2.gz GMZRKQGCQWSUON-KGLIPLIRSA-N 2 1 316.405 2.957 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449077708 429324774 /nfs/dbraw/zinc/32/47/74/429324774.db2.gz SQGPRJCBRZJKSZ-UONOGXRCSA-N 2 1 303.406 2.600 20 5 DFBDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104236 429333612 /nfs/dbraw/zinc/33/36/12/429333612.db2.gz FHBHCMWKBNFGHD-LSDHHAIUSA-N 2 1 305.422 2.847 20 5 DFBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000549172391 430519786 /nfs/dbraw/zinc/51/97/86/430519786.db2.gz ZKCGTZJZKXZIFA-ZKKXHLJNSA-N 2 1 303.406 2.928 20 5 DFBDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447537904 297307258 /nfs/dbraw/zinc/30/72/58/297307258.db2.gz ZHTFNBWGPYBRTQ-CABCVRRESA-N 2 1 323.441 2.595 20 5 DFBDMP Cc1c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000534580660 301234503 /nfs/dbraw/zinc/23/45/03/301234503.db2.gz LGQOUWYZZJRNQI-CQSZACIVSA-N 2 1 300.362 2.626 20 5 DFBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582647 302142786 /nfs/dbraw/zinc/14/27/86/302142786.db2.gz FJPWNCJLMAVNPZ-CZUORRHYSA-N 2 1 303.406 2.904 20 5 DFBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582647 302142789 /nfs/dbraw/zinc/14/27/89/302142789.db2.gz FJPWNCJLMAVNPZ-CZUORRHYSA-N 2 1 303.406 2.904 20 5 DFBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576143154 318106694 /nfs/dbraw/zinc/10/66/94/318106694.db2.gz NRJUSNVIMPZKLW-MLGOLLRUSA-N 2 1 316.405 2.548 20 5 DFBDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081635397 398364440 /nfs/dbraw/zinc/36/44/40/398364440.db2.gz GALVTQMSQKIACD-QGZVFWFLSA-N 2 1 317.433 2.801 20 5 DFBDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081635397 398364443 /nfs/dbraw/zinc/36/44/43/398364443.db2.gz GALVTQMSQKIACD-QGZVFWFLSA-N 2 1 317.433 2.801 20 5 DFBDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081635397 398364444 /nfs/dbraw/zinc/36/44/44/398364444.db2.gz GALVTQMSQKIACD-QGZVFWFLSA-N 2 1 317.433 2.801 20 5 DFBDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081635397 398364447 /nfs/dbraw/zinc/36/44/47/398364447.db2.gz GALVTQMSQKIACD-QGZVFWFLSA-N 2 1 317.433 2.801 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000592433638 398425349 /nfs/dbraw/zinc/42/53/49/398425349.db2.gz MXHOJXNIFCILRN-UONOGXRCSA-N 2 1 321.396 2.946 20 5 DFBDMP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000299478190 530050002 /nfs/dbraw/zinc/05/00/02/530050002.db2.gz ZHGJAACBHANPHD-UHFFFAOYSA-N 2 1 318.421 2.565 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000314788970 398522009 /nfs/dbraw/zinc/52/20/09/398522009.db2.gz UZVGDYXXZKQXCD-DOTOQJQBSA-N 2 1 303.406 2.601 20 5 DFBDMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000272634423 210036881 /nfs/dbraw/zinc/03/68/81/210036881.db2.gz NPDNTECENRAJKW-FZMZJTMJSA-N 2 1 311.813 2.863 20 5 DFBDMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414950735 295839645 /nfs/dbraw/zinc/83/96/45/295839645.db2.gz GKROHYRUDRHTPX-LRDDRELGSA-N 2 1 315.373 2.942 20 5 DFBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517064 192278863 /nfs/dbraw/zinc/27/88/63/192278863.db2.gz XOVWNQSLEPYQBW-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517064 192278865 /nfs/dbraw/zinc/27/88/65/192278865.db2.gz XOVWNQSLEPYQBW-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517064 192278866 /nfs/dbraw/zinc/27/88/66/192278866.db2.gz XOVWNQSLEPYQBW-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517064 192278868 /nfs/dbraw/zinc/27/88/68/192278868.db2.gz XOVWNQSLEPYQBW-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC[NH+]1C ZINC000173959638 283392009 /nfs/dbraw/zinc/39/20/09/283392009.db2.gz LWLQJVIZTOGKTQ-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC[NH+]1C ZINC000173959638 283392010 /nfs/dbraw/zinc/39/20/10/283392010.db2.gz LWLQJVIZTOGKTQ-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC[N@@H+]1C ZINC000173959638 283392014 /nfs/dbraw/zinc/39/20/14/283392014.db2.gz LWLQJVIZTOGKTQ-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC[N@H+]1C ZINC000173959638 283392016 /nfs/dbraw/zinc/39/20/16/283392016.db2.gz LWLQJVIZTOGKTQ-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000595019428 398893215 /nfs/dbraw/zinc/89/32/15/398893215.db2.gz WCVFRXOCTGEWBF-LBPRGKRZSA-N 2 1 318.377 2.849 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000595019424 398893607 /nfs/dbraw/zinc/89/36/07/398893607.db2.gz WCVFRXOCTGEWBF-GFCCVEGCSA-N 2 1 318.377 2.849 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000595051260 398898084 /nfs/dbraw/zinc/89/80/84/398898084.db2.gz MRGKXBXCUVKCPO-KBPBESRZSA-N 2 1 321.421 2.986 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000470170777 299293474 /nfs/dbraw/zinc/29/34/74/299293474.db2.gz AFWBUEFGSRYYRN-IDJPSDCMSA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000470170777 299293476 /nfs/dbraw/zinc/29/34/76/299293476.db2.gz AFWBUEFGSRYYRN-IDJPSDCMSA-N 2 1 303.406 2.882 20 5 DFBDMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863621 296122863 /nfs/dbraw/zinc/12/28/63/296122863.db2.gz BPJMVUWRPHLQNM-CYBMUJFWSA-N 2 1 306.410 2.704 20 5 DFBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596058933 399158469 /nfs/dbraw/zinc/15/84/69/399158469.db2.gz LWBPIFYZUMADEV-MRXNPFEDSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596058933 399158472 /nfs/dbraw/zinc/15/84/72/399158472.db2.gz LWBPIFYZUMADEV-MRXNPFEDSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000601104800 399228084 /nfs/dbraw/zinc/22/80/84/399228084.db2.gz HELIQTWLBLNNLO-STQMWFEESA-N 2 1 312.373 2.604 20 5 DFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000601104800 399228090 /nfs/dbraw/zinc/22/80/90/399228090.db2.gz HELIQTWLBLNNLO-STQMWFEESA-N 2 1 312.373 2.604 20 5 DFBDMP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601109240 399229802 /nfs/dbraw/zinc/22/98/02/399229802.db2.gz SRPWWLWDHQSXAB-CYBMUJFWSA-N 2 1 314.389 2.707 20 5 DFBDMP CC(C)[N@H+]1CC[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601109240 399229806 /nfs/dbraw/zinc/22/98/06/399229806.db2.gz SRPWWLWDHQSXAB-CYBMUJFWSA-N 2 1 314.389 2.707 20 5 DFBDMP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601109247 399229950 /nfs/dbraw/zinc/22/99/50/399229950.db2.gz SRPWWLWDHQSXAB-ZDUSSCGKSA-N 2 1 314.389 2.707 20 5 DFBDMP CC(C)[N@H+]1CC[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601109247 399229953 /nfs/dbraw/zinc/22/99/53/399229953.db2.gz SRPWWLWDHQSXAB-ZDUSSCGKSA-N 2 1 314.389 2.707 20 5 DFBDMP C[NH+](C)C[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601139685 399239627 /nfs/dbraw/zinc/23/96/27/399239627.db2.gz MFZPYWCJEFPIFK-GFCCVEGCSA-N 2 1 300.362 2.531 20 5 DFBDMP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000601168090 399246225 /nfs/dbraw/zinc/24/62/25/399246225.db2.gz OKFAYMCPWYRDAU-QGZVFWFLSA-N 2 1 312.373 2.675 20 5 DFBDMP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000601168090 399246228 /nfs/dbraw/zinc/24/62/28/399246228.db2.gz OKFAYMCPWYRDAU-QGZVFWFLSA-N 2 1 312.373 2.675 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601972681 399372018 /nfs/dbraw/zinc/37/20/18/399372018.db2.gz MZVGCUVJABZVGK-CQSZACIVSA-N 2 1 321.421 2.861 20 5 DFBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C[NH3+] ZINC000602021634 399385735 /nfs/dbraw/zinc/38/57/35/399385735.db2.gz QTNQYQQWOOBGJG-JSGCOSHPSA-N 2 1 315.373 2.881 20 5 DFBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000602023566 399386592 /nfs/dbraw/zinc/38/65/92/399386592.db2.gz XTVCEDMZLUOBFN-OCCSQVGLSA-N 2 1 315.373 2.881 20 5 DFBDMP C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000423043957 296371345 /nfs/dbraw/zinc/37/13/45/296371345.db2.gz QFKBXRKRYDNOBZ-BXUZGUMPSA-N 2 1 311.813 2.911 20 5 DFBDMP C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000423043958 296371381 /nfs/dbraw/zinc/37/13/81/296371381.db2.gz QFKBXRKRYDNOBZ-FZMZJTMJSA-N 2 1 311.813 2.911 20 5 DFBDMP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000423082950 296376392 /nfs/dbraw/zinc/37/63/92/296376392.db2.gz FWYNJBLQHRNKDP-MWLCHTKSSA-N 2 1 317.311 2.701 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423220057 296393733 /nfs/dbraw/zinc/39/37/33/296393733.db2.gz XVFXAKZJYDYSFF-OLZOCXBDSA-N 2 1 307.394 2.644 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876784 399612666 /nfs/dbraw/zinc/61/26/66/399612666.db2.gz AJNKAZAOJFVUJY-UHFFFAOYSA-N 2 1 319.405 2.521 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245414422 146067771 /nfs/dbraw/zinc/06/77/71/146067771.db2.gz CFXALTJLJMGIQV-WMLDXEAASA-N 2 1 305.422 2.799 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245414422 146067774 /nfs/dbraw/zinc/06/77/74/146067774.db2.gz CFXALTJLJMGIQV-WMLDXEAASA-N 2 1 305.422 2.799 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245414422 146067777 /nfs/dbraw/zinc/06/77/77/146067777.db2.gz CFXALTJLJMGIQV-WMLDXEAASA-N 2 1 305.422 2.799 20 5 DFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246416350 146137618 /nfs/dbraw/zinc/13/76/18/146137618.db2.gz BONXCMPVWRVVLF-DZGCQCFKSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246416350 146137622 /nfs/dbraw/zinc/13/76/22/146137622.db2.gz BONXCMPVWRVVLF-DZGCQCFKSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246416350 146137626 /nfs/dbraw/zinc/13/76/26/146137626.db2.gz BONXCMPVWRVVLF-DZGCQCFKSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246416350 146137629 /nfs/dbraw/zinc/13/76/29/146137629.db2.gz BONXCMPVWRVVLF-DZGCQCFKSA-N 2 1 321.421 2.766 20 5 DFBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]21 ZINC000261985126 146316079 /nfs/dbraw/zinc/31/60/79/146316079.db2.gz RVOXEOANCDITHW-OUCADQQQSA-N 2 1 309.797 2.807 20 5 DFBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]21 ZINC000261985126 146316082 /nfs/dbraw/zinc/31/60/82/146316082.db2.gz RVOXEOANCDITHW-OUCADQQQSA-N 2 1 309.797 2.807 20 5 DFBDMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000361766334 149212655 /nfs/dbraw/zinc/21/26/55/149212655.db2.gz RXKOVDSVWSRQQQ-XYPHTWIQSA-N 2 1 317.433 2.988 20 5 DFBDMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@H+]1C ZINC000361766334 149212657 /nfs/dbraw/zinc/21/26/57/149212657.db2.gz RXKOVDSVWSRQQQ-XYPHTWIQSA-N 2 1 317.433 2.988 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283232971 426982699 /nfs/dbraw/zinc/98/26/99/426982699.db2.gz UHDNAEOEDCJLSP-UHFFFAOYSA-N 2 1 306.341 2.761 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283232971 426982707 /nfs/dbraw/zinc/98/27/07/426982707.db2.gz UHDNAEOEDCJLSP-UHFFFAOYSA-N 2 1 306.341 2.761 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000183362292 427254503 /nfs/dbraw/zinc/25/45/03/427254503.db2.gz DVTQZMLLHCNSMH-HNNXBMFYSA-N 2 1 303.406 2.821 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000183362292 427254511 /nfs/dbraw/zinc/25/45/11/427254511.db2.gz DVTQZMLLHCNSMH-HNNXBMFYSA-N 2 1 303.406 2.821 20 5 DFBDMP CC[N@H+]1CC[C@@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000344861886 272378290 /nfs/dbraw/zinc/37/82/90/272378290.db2.gz KGDJHJRVBUFCJC-MBSJSRAVSA-N 2 1 303.406 2.930 20 5 DFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377677426 428190416 /nfs/dbraw/zinc/19/04/16/428190416.db2.gz MYNSDUGAGRJKCU-CYBMUJFWSA-N 2 1 318.352 2.625 20 5 DFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377677426 428190419 /nfs/dbraw/zinc/19/04/19/428190419.db2.gz MYNSDUGAGRJKCU-CYBMUJFWSA-N 2 1 318.352 2.625 20 5 DFBDMP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000346656677 428258293 /nfs/dbraw/zinc/25/82/93/428258293.db2.gz QAVXVYHDUNOOPM-UHFFFAOYSA-N 2 1 301.346 2.778 20 5 DFBDMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414785413 428405803 /nfs/dbraw/zinc/40/58/03/428405803.db2.gz SPFPCTUYYSCQCM-JKSUJKDBSA-N 2 1 303.406 2.725 20 5 DFBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347113913 428451241 /nfs/dbraw/zinc/45/12/41/428451241.db2.gz SNYJOYJOZUHUII-VZQPHXTPSA-N 2 1 301.390 2.823 20 5 DFBDMP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347113913 428451245 /nfs/dbraw/zinc/45/12/45/428451245.db2.gz SNYJOYJOZUHUII-VZQPHXTPSA-N 2 1 301.390 2.823 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058899 428504842 /nfs/dbraw/zinc/50/48/42/428504842.db2.gz SGFWZZWXKAGXCP-CKEIUWERSA-N 2 1 305.422 2.833 20 5 DFBDMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414965825 428475168 /nfs/dbraw/zinc/47/51/68/428475168.db2.gz WABVCPCULPDRRO-BLLLJJGKSA-N 2 1 315.373 2.942 20 5 DFBDMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000353689051 428659085 /nfs/dbraw/zinc/65/90/85/428659085.db2.gz PQJVKDPVNJGWDS-ZMSDIMECSA-N 2 1 303.406 2.866 20 5 DFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCc2nccn2C1 ZINC000374863940 428768879 /nfs/dbraw/zinc/76/88/79/428768879.db2.gz PTBHMLXUWBPBSN-CYBMUJFWSA-N 2 1 318.352 2.625 20 5 DFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000374863940 428768883 /nfs/dbraw/zinc/76/88/83/428768883.db2.gz PTBHMLXUWBPBSN-CYBMUJFWSA-N 2 1 318.352 2.625 20 5 DFBDMP Cc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000375471236 428895619 /nfs/dbraw/zinc/89/56/19/428895619.db2.gz LHAGABUVAHGIRS-UHFFFAOYSA-N 2 1 303.406 2.963 20 5 DFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219762 428923957 /nfs/dbraw/zinc/92/39/57/428923957.db2.gz DGFHYXPPBFQXQR-LSDHHAIUSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219762 428923963 /nfs/dbraw/zinc/92/39/63/428923963.db2.gz DGFHYXPPBFQXQR-LSDHHAIUSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219762 428923969 /nfs/dbraw/zinc/92/39/69/428923969.db2.gz DGFHYXPPBFQXQR-LSDHHAIUSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219762 428923973 /nfs/dbraw/zinc/92/39/73/428923973.db2.gz DGFHYXPPBFQXQR-LSDHHAIUSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423398975 429081921 /nfs/dbraw/zinc/08/19/21/429081921.db2.gz VRVSGAXZLQAZMO-CZUORRHYSA-N 2 1 305.422 2.894 20 5 DFBDMP C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCc2[nH+]ccn2C1 ZINC000364671283 429245793 /nfs/dbraw/zinc/24/57/93/429245793.db2.gz KVSMQRVLWJJDNQ-GFCCVEGCSA-N 2 1 318.352 2.625 20 5 DFBDMP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCc2[nH+]ccn2C1 ZINC000364671283 429245798 /nfs/dbraw/zinc/24/57/98/429245798.db2.gz KVSMQRVLWJJDNQ-GFCCVEGCSA-N 2 1 318.352 2.625 20 5 DFBDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104234 429333482 /nfs/dbraw/zinc/33/34/82/429333482.db2.gz FHBHCMWKBNFGHD-GJZGRUSLSA-N 2 1 305.422 2.847 20 5 DFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368104952 429788401 /nfs/dbraw/zinc/78/84/01/429788401.db2.gz MCIWBJIZMVOIBK-JSGCOSHPSA-N 2 1 314.389 2.786 20 5 DFBDMP CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153696795 289056298 /nfs/dbraw/zinc/05/62/98/289056298.db2.gz QVRKODYGVFRXGD-KGLIPLIRSA-N 2 1 321.421 2.986 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153696795 289056304 /nfs/dbraw/zinc/05/63/04/289056304.db2.gz QVRKODYGVFRXGD-KGLIPLIRSA-N 2 1 321.421 2.986 20 5 DFBDMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000159219636 295374149 /nfs/dbraw/zinc/37/41/49/295374149.db2.gz HKBMCUMHJOVZDK-UHFFFAOYSA-N 2 1 318.377 2.630 20 5 DFBDMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000159219636 295374151 /nfs/dbraw/zinc/37/41/51/295374151.db2.gz HKBMCUMHJOVZDK-UHFFFAOYSA-N 2 1 318.377 2.630 20 5 DFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071192 297400406 /nfs/dbraw/zinc/40/04/06/297400406.db2.gz GMZRKQGCQWSUON-ZIAGYGMSSA-N 2 1 316.405 2.957 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000515388402 300304496 /nfs/dbraw/zinc/30/44/96/300304496.db2.gz ATIKAWJITVONAJ-MLGOLLRUSA-N 2 1 301.390 2.656 20 5 DFBDMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473493 302290652 /nfs/dbraw/zinc/29/06/52/302290652.db2.gz BNOGYLNJMBOZCO-BBRMVZONSA-N 2 1 303.406 2.904 20 5 DFBDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473493 302290653 /nfs/dbraw/zinc/29/06/53/302290653.db2.gz BNOGYLNJMBOZCO-BBRMVZONSA-N 2 1 303.406 2.904 20 5 DFBDMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473494 302290751 /nfs/dbraw/zinc/29/07/51/302290751.db2.gz BNOGYLNJMBOZCO-CJNGLKHVSA-N 2 1 303.406 2.904 20 5 DFBDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473494 302290752 /nfs/dbraw/zinc/29/07/52/302290752.db2.gz BNOGYLNJMBOZCO-CJNGLKHVSA-N 2 1 303.406 2.904 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000314788973 398521853 /nfs/dbraw/zinc/52/18/53/398521853.db2.gz UZVGDYXXZKQXCD-WBVHZDCISA-N 2 1 303.406 2.601 20 5 DFBDMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000459742342 299178876 /nfs/dbraw/zinc/17/88/76/299178876.db2.gz VTQYBGMHAUYPPX-LWUPOJRFSA-N 2 1 303.406 2.930 20 5 DFBDMP O=[N+]([O-])c1ccc2ccnc(N[C@H]3CCc4[nH+]ccn4C3)c2c1 ZINC000591141750 398730901 /nfs/dbraw/zinc/73/09/01/398730901.db2.gz ZACLSTMNMSTOKP-LBPRGKRZSA-N 2 1 309.329 2.766 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000470170779 299293361 /nfs/dbraw/zinc/29/33/61/299293361.db2.gz AFWBUEFGSRYYRN-MBSJSRAVSA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000470170779 299293364 /nfs/dbraw/zinc/29/33/64/299293364.db2.gz AFWBUEFGSRYYRN-MBSJSRAVSA-N 2 1 303.406 2.882 20 5 DFBDMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000600683703 399117045 /nfs/dbraw/zinc/11/70/45/399117045.db2.gz XSSLOKXUOSVHBN-WMHQRMGPSA-N 2 1 303.406 2.646 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900629 399127852 /nfs/dbraw/zinc/12/78/52/399127852.db2.gz IQHMYHDYNPWEJW-AWEZNQCLSA-N 2 1 321.396 2.946 20 5 DFBDMP Cc1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420327977 296176235 /nfs/dbraw/zinc/17/62/35/296176235.db2.gz LZOMHTORAPAJTE-GDBMZVCRSA-N 2 1 303.406 2.725 20 5 DFBDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282647830 217151085 /nfs/dbraw/zinc/15/10/85/217151085.db2.gz CEDNISCFHICWIT-AWEZNQCLSA-N 2 1 318.352 2.903 20 5 DFBDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282647830 217151087 /nfs/dbraw/zinc/15/10/87/217151087.db2.gz CEDNISCFHICWIT-AWEZNQCLSA-N 2 1 318.352 2.903 20 5 DFBDMP CN(CC1CC[NH+](C)CC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601114536 399231869 /nfs/dbraw/zinc/23/18/69/399231869.db2.gz QYHFAOCVIFEFTE-UHFFFAOYSA-N 2 1 314.389 2.921 20 5 DFBDMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105875683 194153253 /nfs/dbraw/zinc/15/32/53/194153253.db2.gz PNOGMLHFPXDGDQ-UHFFFAOYSA-N 2 1 314.389 2.783 20 5 DFBDMP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000423082949 296376242 /nfs/dbraw/zinc/37/62/42/296376242.db2.gz FWYNJBLQHRNKDP-KOLCDFICSA-N 2 1 317.311 2.701 20 5 DFBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CC1 ZINC000423274433 296399457 /nfs/dbraw/zinc/39/94/57/296399457.db2.gz KLXKYQXMKLSDHK-QWHCGFSZSA-N 2 1 309.435 2.792 20 5 DFBDMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000602876825 399611960 /nfs/dbraw/zinc/61/19/60/399611960.db2.gz BRUUVFQZIJBRKS-UHFFFAOYSA-N 2 1 319.405 2.521 20 5 DFBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000255029013 146230733 /nfs/dbraw/zinc/23/07/33/146230733.db2.gz TVEVAJJLSAUZAJ-WUKHSURWSA-N 2 1 303.406 2.882 20 5 DFBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000255029013 146230736 /nfs/dbraw/zinc/23/07/36/146230736.db2.gz TVEVAJJLSAUZAJ-WUKHSURWSA-N 2 1 303.406 2.882 20 5 DFBDMP C[NH+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000255029013 146230741 /nfs/dbraw/zinc/23/07/41/146230741.db2.gz TVEVAJJLSAUZAJ-WUKHSURWSA-N 2 1 303.406 2.882 20 5 DFBDMP C[NH+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000255029013 146230745 /nfs/dbraw/zinc/23/07/45/146230745.db2.gz TVEVAJJLSAUZAJ-WUKHSURWSA-N 2 1 303.406 2.882 20 5 DFBDMP COc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641850 426444835 /nfs/dbraw/zinc/44/48/35/426444835.db2.gz BWPHVXBJYIZXOQ-JSGCOSHPSA-N 2 1 307.394 2.518 20 5 DFBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000359476319 427868330 /nfs/dbraw/zinc/86/83/30/427868330.db2.gz UHJXJJIQTKVELX-KBPBESRZSA-N 2 1 313.357 2.506 20 5 DFBDMP C[N@H+](CCC[NH+]1CCCCC1)CCc1ccccc1[N+](=O)[O-] ZINC000352559710 428150604 /nfs/dbraw/zinc/15/06/04/428150604.db2.gz DDPLNBWQFVLXOD-UHFFFAOYSA-N 2 1 305.422 2.945 20 5 DFBDMP C[N@@H+](CCC[NH+]1CCCCC1)CCc1ccccc1[N+](=O)[O-] ZINC000352559710 428150608 /nfs/dbraw/zinc/15/06/08/428150608.db2.gz DDPLNBWQFVLXOD-UHFFFAOYSA-N 2 1 305.422 2.945 20 5 DFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773690 428242756 /nfs/dbraw/zinc/24/27/56/428242756.db2.gz UFCHADOYMZORIJ-UKRRQHHQSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773690 428242758 /nfs/dbraw/zinc/24/27/58/428242758.db2.gz UFCHADOYMZORIJ-UKRRQHHQSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773690 428242763 /nfs/dbraw/zinc/24/27/63/428242763.db2.gz UFCHADOYMZORIJ-UKRRQHHQSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773690 428242766 /nfs/dbraw/zinc/24/27/66/428242766.db2.gz UFCHADOYMZORIJ-UKRRQHHQSA-N 2 1 321.421 2.766 20 5 DFBDMP Cc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000377862863 428250961 /nfs/dbraw/zinc/25/09/61/428250961.db2.gz ZVIWWXZBXSUFEU-HNNXBMFYSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000377862863 428250964 /nfs/dbraw/zinc/25/09/64/428250964.db2.gz ZVIWWXZBXSUFEU-HNNXBMFYSA-N 2 1 314.389 2.794 20 5 DFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)o1 ZINC000414915697 428456356 /nfs/dbraw/zinc/45/63/56/428456356.db2.gz ONODEOGRLVGCDY-LBPRGKRZSA-N 2 1 301.346 2.554 20 5 DFBDMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039518 428495238 /nfs/dbraw/zinc/49/52/38/428495238.db2.gz JAMCLUGNCKPPTP-JKSUJKDBSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039518 428495240 /nfs/dbraw/zinc/49/52/40/428495240.db2.gz JAMCLUGNCKPPTP-JKSUJKDBSA-N 2 1 303.406 2.867 20 5 DFBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000354084887 428855089 /nfs/dbraw/zinc/85/50/89/428855089.db2.gz RTCGWDUUMYENOC-INIZCTEOSA-N 2 1 321.421 2.528 20 5 DFBDMP CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435378717 429135387 /nfs/dbraw/zinc/13/53/87/429135387.db2.gz FVKVUHZLVFVSCG-CQSZACIVSA-N 2 1 307.394 2.567 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449092574 429328623 /nfs/dbraw/zinc/32/86/23/429328623.db2.gz UORJYOAJEJLZPV-BMFZPTHFSA-N 2 1 303.406 2.742 20 5 DFBDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430207404 429663958 /nfs/dbraw/zinc/66/39/58/429663958.db2.gz ZNBAYUPNZGYNQY-BBRMVZONSA-N 2 1 321.421 2.766 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367625173 429688703 /nfs/dbraw/zinc/68/87/03/429688703.db2.gz XDCZQXYRPQYVAC-ARFHVFGLSA-N 2 1 319.405 2.566 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367625173 429688706 /nfs/dbraw/zinc/68/87/06/429688706.db2.gz XDCZQXYRPQYVAC-ARFHVFGLSA-N 2 1 319.405 2.566 20 5 DFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368104951 429789006 /nfs/dbraw/zinc/78/90/06/429789006.db2.gz MCIWBJIZMVOIBK-GXTWGEPZSA-N 2 1 314.389 2.786 20 5 DFBDMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000516173859 300332789 /nfs/dbraw/zinc/33/27/89/300332789.db2.gz GGXVELKVLQCEHK-IAGOWNOFSA-N 2 1 313.357 2.708 20 5 DFBDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889451 318048179 /nfs/dbraw/zinc/04/81/79/318048179.db2.gz AIVIQDATHGOXGR-BBRMVZONSA-N 2 1 303.406 2.904 20 5 DFBDMP C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000580093182 318375468 /nfs/dbraw/zinc/37/54/68/318375468.db2.gz BJGUHNOCTVISGQ-CJNGLKHVSA-N 2 1 303.406 2.904 20 5 DFBDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294744511 533999595 /nfs/dbraw/zinc/99/95/95/533999595.db2.gz LOFSAFOAYVWCQL-UBHSHLNASA-N 2 1 306.410 2.700 20 5 DFBDMP C[N@H+]1CCC[C@@H](CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000459742352 299179012 /nfs/dbraw/zinc/17/90/12/299179012.db2.gz VTQYBGMHAUYPPX-UVCVVPOWSA-N 2 1 303.406 2.930 20 5 DFBDMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000459742346 299179212 /nfs/dbraw/zinc/17/92/12/299179212.db2.gz VTQYBGMHAUYPPX-SGJXGLNRSA-N 2 1 303.406 2.930 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000591577314 398773091 /nfs/dbraw/zinc/77/30/91/398773091.db2.gz OUPVVBNTVHUDFE-XJKSGUPXSA-N 2 1 303.406 2.648 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000595027752 398894200 /nfs/dbraw/zinc/89/42/00/398894200.db2.gz SDUQNQABBZUPMH-LBPRGKRZSA-N 2 1 305.378 2.516 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000470214779 299293670 /nfs/dbraw/zinc/29/36/70/299293670.db2.gz HDAJPYZMSWWYJX-IDJPSDCMSA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000470214779 299293672 /nfs/dbraw/zinc/29/36/72/299293672.db2.gz HDAJPYZMSWWYJX-IDJPSDCMSA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000470214779 299293673 /nfs/dbraw/zinc/29/36/73/299293673.db2.gz HDAJPYZMSWWYJX-IDJPSDCMSA-N 2 1 303.406 2.882 20 5 DFBDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507779 398953018 /nfs/dbraw/zinc/95/30/18/398953018.db2.gz QPSXRWLDURWWIE-QGZVFWFLSA-N 2 1 303.406 2.555 20 5 DFBDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507779 398953019 /nfs/dbraw/zinc/95/30/19/398953019.db2.gz QPSXRWLDURWWIE-QGZVFWFLSA-N 2 1 303.406 2.555 20 5 DFBDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507779 398953020 /nfs/dbraw/zinc/95/30/20/398953020.db2.gz QPSXRWLDURWWIE-QGZVFWFLSA-N 2 1 303.406 2.555 20 5 DFBDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507779 398953021 /nfs/dbraw/zinc/95/30/21/398953021.db2.gz QPSXRWLDURWWIE-QGZVFWFLSA-N 2 1 303.406 2.555 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900204 399128290 /nfs/dbraw/zinc/12/82/90/399128290.db2.gz ARZYQRRCTSMKCZ-CQSZACIVSA-N 2 1 321.396 2.946 20 5 DFBDMP CN(CC[N@@H+](C)C1CC1)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601144303 399240314 /nfs/dbraw/zinc/24/03/14/399240314.db2.gz SERVYFJSYANZTF-UHFFFAOYSA-N 2 1 300.362 2.673 20 5 DFBDMP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601144303 399240320 /nfs/dbraw/zinc/24/03/20/399240320.db2.gz SERVYFJSYANZTF-UHFFFAOYSA-N 2 1 300.362 2.673 20 5 DFBDMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422561018 296312686 /nfs/dbraw/zinc/31/26/86/296312686.db2.gz IMMNHFOLKSOYPW-XXJKJQDVSA-N 2 1 303.406 2.913 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422709113 296319961 /nfs/dbraw/zinc/31/99/61/296319961.db2.gz CSYUJZQXBPJJIZ-OWCLPIDISA-N 2 1 319.405 2.614 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000611471332 399479597 /nfs/dbraw/zinc/47/95/97/399479597.db2.gz SKHLJPGVZNFOMS-STQMWFEESA-N 2 1 300.362 2.765 20 5 DFBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761242 197298988 /nfs/dbraw/zinc/29/89/88/197298988.db2.gz XBHDJOHZZVFPGF-WBVHZDCISA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761242 197298990 /nfs/dbraw/zinc/29/89/90/197298990.db2.gz XBHDJOHZZVFPGF-WBVHZDCISA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761242 197298992 /nfs/dbraw/zinc/29/89/92/197298992.db2.gz XBHDJOHZZVFPGF-WBVHZDCISA-N 2 1 303.406 2.553 20 5 DFBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423232866 296395431 /nfs/dbraw/zinc/39/54/31/296395431.db2.gz IWQJOVULYSMCAN-QWHCGFSZSA-N 2 1 309.435 2.807 20 5 DFBDMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000602877347 399612314 /nfs/dbraw/zinc/61/23/14/399612314.db2.gz GXXHIUTVVTUUPH-UHFFFAOYSA-N 2 1 307.369 2.652 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000262045964 146326949 /nfs/dbraw/zinc/32/69/49/146326949.db2.gz CJFQRIZKXLQOOH-HRCADAONSA-N 2 1 303.406 2.995 20 5 DFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351502304 286137708 /nfs/dbraw/zinc/13/77/08/286137708.db2.gz ZVJNFDPLHKCYEV-VBNZEHGJSA-N 2 1 319.405 2.551 20 5 DFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351502304 286137709 /nfs/dbraw/zinc/13/77/09/286137709.db2.gz ZVJNFDPLHKCYEV-VBNZEHGJSA-N 2 1 319.405 2.551 20 5 DFBDMP Cc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000247985025 158155090 /nfs/dbraw/zinc/15/50/90/158155090.db2.gz ITHCTBLYGZHUCR-RDJZCZTQSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000247985025 158155091 /nfs/dbraw/zinc/15/50/91/158155091.db2.gz ITHCTBLYGZHUCR-RDJZCZTQSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000247985025 158155094 /nfs/dbraw/zinc/15/50/94/158155094.db2.gz ITHCTBLYGZHUCR-RDJZCZTQSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000247985025 158155096 /nfs/dbraw/zinc/15/50/96/158155096.db2.gz ITHCTBLYGZHUCR-RDJZCZTQSA-N 2 1 303.406 2.819 20 5 DFBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860345 426088003 /nfs/dbraw/zinc/08/80/03/426088003.db2.gz IKEJFTSZYOTUBY-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860345 426088005 /nfs/dbraw/zinc/08/80/05/426088005.db2.gz IKEJFTSZYOTUBY-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860345 426088006 /nfs/dbraw/zinc/08/80/06/426088006.db2.gz IKEJFTSZYOTUBY-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000075860345 426088008 /nfs/dbraw/zinc/08/80/08/426088008.db2.gz IKEJFTSZYOTUBY-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000153209692 426376268 /nfs/dbraw/zinc/37/62/68/426376268.db2.gz CZKSWXFZPYNAJW-TZMCWYRMSA-N 2 1 307.394 2.738 20 5 DFBDMP CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000153209692 426376271 /nfs/dbraw/zinc/37/62/71/426376271.db2.gz CZKSWXFZPYNAJW-TZMCWYRMSA-N 2 1 307.394 2.738 20 5 DFBDMP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504399 426779444 /nfs/dbraw/zinc/77/94/44/426779444.db2.gz PHATXFWXXSKABE-GJZGRUSLSA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504399 426779448 /nfs/dbraw/zinc/77/94/48/426779448.db2.gz PHATXFWXXSKABE-GJZGRUSLSA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504399 426779449 /nfs/dbraw/zinc/77/94/49/426779449.db2.gz PHATXFWXXSKABE-GJZGRUSLSA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504399 426779451 /nfs/dbraw/zinc/77/94/51/426779451.db2.gz PHATXFWXXSKABE-GJZGRUSLSA-N 2 1 319.405 2.520 20 5 DFBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC[NH+]1C ZINC000338354731 427271203 /nfs/dbraw/zinc/27/12/03/427271203.db2.gz JGOKMHHQXKSVMD-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC[NH+]1C ZINC000338354731 427271209 /nfs/dbraw/zinc/27/12/09/427271209.db2.gz JGOKMHHQXKSVMD-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC[N@@H+]1C ZINC000338354731 427271214 /nfs/dbraw/zinc/27/12/14/427271214.db2.gz JGOKMHHQXKSVMD-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC[N@H+]1C ZINC000338354731 427271219 /nfs/dbraw/zinc/27/12/19/427271219.db2.gz JGOKMHHQXKSVMD-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293576700 427369803 /nfs/dbraw/zinc/36/98/03/427369803.db2.gz DRYXTDXMMLQMJQ-GFCCVEGCSA-N 2 1 318.421 2.845 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000369600767 428012951 /nfs/dbraw/zinc/01/29/51/428012951.db2.gz VKKVGRFUAWAURZ-BPQIPLTHSA-N 2 1 315.417 2.553 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000369600767 428012958 /nfs/dbraw/zinc/01/29/58/428012958.db2.gz VKKVGRFUAWAURZ-BPQIPLTHSA-N 2 1 315.417 2.553 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000369600767 428012963 /nfs/dbraw/zinc/01/29/63/428012963.db2.gz VKKVGRFUAWAURZ-BPQIPLTHSA-N 2 1 315.417 2.553 20 5 DFBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353048602 428369387 /nfs/dbraw/zinc/36/93/87/428369387.db2.gz VJNITKNFMVXHTB-BXUZGUMPSA-N 2 1 311.813 2.721 20 5 DFBDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347046559 428423346 /nfs/dbraw/zinc/42/33/46/428423346.db2.gz ORCWZSPFLMMBOX-GFCCVEGCSA-N 2 1 301.346 2.635 20 5 DFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)o1 ZINC000414821293 428424206 /nfs/dbraw/zinc/42/42/06/428424206.db2.gz AWVJBFSMETYTKR-ZDUSSCGKSA-N 2 1 315.373 2.944 20 5 DFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219759 428923373 /nfs/dbraw/zinc/92/33/73/428923373.db2.gz DGFHYXPPBFQXQR-HUUCEWRRSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219759 428923381 /nfs/dbraw/zinc/92/33/81/428923381.db2.gz DGFHYXPPBFQXQR-HUUCEWRRSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219759 428923387 /nfs/dbraw/zinc/92/33/87/428923387.db2.gz DGFHYXPPBFQXQR-HUUCEWRRSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219759 428923392 /nfs/dbraw/zinc/92/33/92/428923392.db2.gz DGFHYXPPBFQXQR-HUUCEWRRSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219757 428923767 /nfs/dbraw/zinc/92/37/67/428923767.db2.gz DGFHYXPPBFQXQR-GJZGRUSLSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219757 428923772 /nfs/dbraw/zinc/92/37/72/428923772.db2.gz DGFHYXPPBFQXQR-GJZGRUSLSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219757 428923782 /nfs/dbraw/zinc/92/37/82/428923782.db2.gz DGFHYXPPBFQXQR-GJZGRUSLSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219757 428923788 /nfs/dbraw/zinc/92/37/88/428923788.db2.gz DGFHYXPPBFQXQR-GJZGRUSLSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224605 428925189 /nfs/dbraw/zinc/92/51/89/428925189.db2.gz NYSVMDKJYQMKGT-WMLDXEAASA-N 2 1 305.422 2.942 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224605 428925193 /nfs/dbraw/zinc/92/51/93/428925193.db2.gz NYSVMDKJYQMKGT-WMLDXEAASA-N 2 1 305.422 2.942 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423356030 429071651 /nfs/dbraw/zinc/07/16/51/429071651.db2.gz GKEIVTHQIQXXFC-GXTWGEPZSA-N 2 1 307.394 2.786 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423356031 429072448 /nfs/dbraw/zinc/07/24/48/429072448.db2.gz GKEIVTHQIQXXFC-TZMCWYRMSA-N 2 1 307.394 2.786 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302031 429122582 /nfs/dbraw/zinc/12/25/82/429122582.db2.gz YTMTZGCBWVEDFU-CYBMUJFWSA-N 2 1 319.405 2.567 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363874802 429131526 /nfs/dbraw/zinc/13/15/26/429131526.db2.gz JFQPAJQPVHCYEJ-NJAFHUGGSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363874802 429131534 /nfs/dbraw/zinc/13/15/34/429131534.db2.gz JFQPAJQPVHCYEJ-NJAFHUGGSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363874802 429131538 /nfs/dbraw/zinc/13/15/38/429131538.db2.gz JFQPAJQPVHCYEJ-NJAFHUGGSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363874802 429131540 /nfs/dbraw/zinc/13/15/40/429131540.db2.gz JFQPAJQPVHCYEJ-NJAFHUGGSA-N 2 1 315.417 2.819 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000449070790 429323285 /nfs/dbraw/zinc/32/32/85/429323285.db2.gz LICHZMFKXYLRIO-ZDUSSCGKSA-N 2 1 303.406 2.742 20 5 DFBDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104235 429333414 /nfs/dbraw/zinc/33/34/14/429333414.db2.gz FHBHCMWKBNFGHD-HUUCEWRRSA-N 2 1 305.422 2.847 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000583390804 430391407 /nfs/dbraw/zinc/39/14/07/430391407.db2.gz BEIDOYWOKQXEIH-MRXNPFEDSA-N 2 1 301.390 2.799 20 5 DFBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CC[NH2+]CC3)o2)c1 ZINC000414796487 316661160 /nfs/dbraw/zinc/66/11/60/316661160.db2.gz XVLFTEMPRAXWPP-UHFFFAOYSA-N 2 1 301.346 2.696 20 5 DFBDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000574889455 318048196 /nfs/dbraw/zinc/04/81/96/318048196.db2.gz AIVIQDATHGOXGR-XJKSGUPXSA-N 2 1 303.406 2.904 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000592433639 398425195 /nfs/dbraw/zinc/42/51/95/398425195.db2.gz MXHOJXNIFCILRN-ZIAGYGMSSA-N 2 1 321.396 2.946 20 5 DFBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000591577726 398773006 /nfs/dbraw/zinc/77/30/06/398773006.db2.gz CFLIQRGOMGVJRJ-CKQIIDDLSA-N 2 1 301.390 2.845 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000591668397 398779206 /nfs/dbraw/zinc/77/92/06/398779206.db2.gz DBJXXEDFHJELGQ-AWEZNQCLSA-N 2 1 303.406 2.867 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000595006036 398890341 /nfs/dbraw/zinc/89/03/41/398890341.db2.gz FFZYEBBRDATMTO-STQMWFEESA-N 2 1 319.405 2.738 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000595006036 398890346 /nfs/dbraw/zinc/89/03/46/398890346.db2.gz FFZYEBBRDATMTO-STQMWFEESA-N 2 1 319.405 2.738 20 5 DFBDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376282 398929326 /nfs/dbraw/zinc/92/93/26/398929326.db2.gz HFCYHWZSIJPROY-IUODEOHRSA-N 2 1 309.385 2.896 20 5 DFBDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376281 398929583 /nfs/dbraw/zinc/92/95/83/398929583.db2.gz HFCYHWZSIJPROY-DOMZBBRYSA-N 2 1 309.385 2.896 20 5 DFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329236 296176038 /nfs/dbraw/zinc/17/60/38/296176038.db2.gz ODBUTCVMPARGMP-RBSFLKMASA-N 2 1 303.406 2.977 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000420354828 296179153 /nfs/dbraw/zinc/17/91/53/296179153.db2.gz DNOFQMRAJPNNDU-CQSZACIVSA-N 2 1 303.406 2.949 20 5 DFBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601136703 399237907 /nfs/dbraw/zinc/23/79/07/399237907.db2.gz JVHWKZMWGBQEMM-NWDGAFQWSA-N 2 1 300.362 2.672 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000611471329 399479534 /nfs/dbraw/zinc/47/95/34/399479534.db2.gz SKHLJPGVZNFOMS-CHWSQXEVSA-N 2 1 300.362 2.765 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000611471330 399479585 /nfs/dbraw/zinc/47/95/85/399479585.db2.gz SKHLJPGVZNFOMS-OLZOCXBDSA-N 2 1 300.362 2.765 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000423386732 296411414 /nfs/dbraw/zinc/41/14/14/296411414.db2.gz RNMLFFMWKMXINP-DYEKYZERSA-N 2 1 307.394 2.785 20 5 DFBDMP Cc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000371403720 150041413 /nfs/dbraw/zinc/04/14/13/150041413.db2.gz WAVCQYKZHPMQPH-IXDOHACOSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000371480707 150054478 /nfs/dbraw/zinc/05/44/78/150054478.db2.gz QEHMRZLUCUGPEN-JSGCOSHPSA-N 2 1 300.362 2.765 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000175222930 426288832 /nfs/dbraw/zinc/28/88/32/426288832.db2.gz GOOQTWPHLNMGBE-UHFFFAOYSA-N 2 1 321.421 2.767 20 5 DFBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000175732022 426323744 /nfs/dbraw/zinc/32/37/44/426323744.db2.gz BONXCMPVWRVVLF-HIFRSBDPSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000175732022 426323747 /nfs/dbraw/zinc/32/37/47/426323747.db2.gz BONXCMPVWRVVLF-HIFRSBDPSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000175732022 426323750 /nfs/dbraw/zinc/32/37/50/426323750.db2.gz BONXCMPVWRVVLF-HIFRSBDPSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000175732022 426323754 /nfs/dbraw/zinc/32/37/54/426323754.db2.gz BONXCMPVWRVVLF-HIFRSBDPSA-N 2 1 321.421 2.766 20 5 DFBDMP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285605997 427285877 /nfs/dbraw/zinc/28/58/77/427285877.db2.gz VMJVSQDDTWRJSM-YIONKMFJSA-N 2 1 319.405 2.531 20 5 DFBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285605997 427285883 /nfs/dbraw/zinc/28/58/83/427285883.db2.gz VMJVSQDDTWRJSM-YIONKMFJSA-N 2 1 319.405 2.531 20 5 DFBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285605997 427285889 /nfs/dbraw/zinc/28/58/89/427285889.db2.gz VMJVSQDDTWRJSM-YIONKMFJSA-N 2 1 319.405 2.531 20 5 DFBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285605997 427285891 /nfs/dbraw/zinc/28/58/91/427285891.db2.gz VMJVSQDDTWRJSM-YIONKMFJSA-N 2 1 319.405 2.531 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000271172112 427430814 /nfs/dbraw/zinc/43/08/14/427430814.db2.gz UJUMSGGAWRCHRF-OLZOCXBDSA-N 2 1 309.410 2.984 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000271172110 427431741 /nfs/dbraw/zinc/43/17/41/427431741.db2.gz UJUMSGGAWRCHRF-CHWSQXEVSA-N 2 1 309.410 2.984 20 5 DFBDMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000279014334 427531688 /nfs/dbraw/zinc/53/16/88/427531688.db2.gz UDINBQIRQDXRPV-CHWSQXEVSA-N 2 1 300.362 2.705 20 5 DFBDMP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346828797 428333676 /nfs/dbraw/zinc/33/36/76/428333676.db2.gz ITBIEEJJQHSEKI-BPUTZDHNSA-N 2 1 303.406 2.887 20 5 DFBDMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346828797 428333681 /nfs/dbraw/zinc/33/36/81/428333681.db2.gz ITBIEEJJQHSEKI-BPUTZDHNSA-N 2 1 303.406 2.887 20 5 DFBDMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414858745 428436546 /nfs/dbraw/zinc/43/65/46/428436546.db2.gz LARSIMDTGUHMKG-UHFFFAOYSA-N 2 1 319.361 2.563 20 5 DFBDMP CC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000391471352 428478547 /nfs/dbraw/zinc/47/85/47/428478547.db2.gz REMLKVLHJVSZRJ-CYBMUJFWSA-N 2 1 314.389 2.770 20 5 DFBDMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000353689040 428659671 /nfs/dbraw/zinc/65/96/71/428659671.db2.gz PQJVKDPVNJGWDS-BFYDXBDKSA-N 2 1 303.406 2.866 20 5 DFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203202 428914848 /nfs/dbraw/zinc/91/48/48/428914848.db2.gz ALQLZXFZAWHYLG-GOEBONIOSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203202 428914852 /nfs/dbraw/zinc/91/48/52/428914852.db2.gz ALQLZXFZAWHYLG-GOEBONIOSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203202 428914854 /nfs/dbraw/zinc/91/48/54/428914854.db2.gz ALQLZXFZAWHYLG-GOEBONIOSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203202 428914859 /nfs/dbraw/zinc/91/48/59/428914859.db2.gz ALQLZXFZAWHYLG-GOEBONIOSA-N 2 1 321.421 2.778 20 5 DFBDMP O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363661497 428961418 /nfs/dbraw/zinc/96/14/18/428961418.db2.gz RQAJLDAWTYIXLZ-KMFMINBZSA-N 2 1 319.380 2.650 20 5 DFBDMP C[C@H]1CC2(C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424295301 429121097 /nfs/dbraw/zinc/12/10/97/429121097.db2.gz RDYFUVWYTRFIAM-LBPRGKRZSA-N 2 1 307.369 2.698 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363874803 429131664 /nfs/dbraw/zinc/13/16/64/429131664.db2.gz JFQPAJQPVHCYEJ-NXHRZFHOSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363874803 429131668 /nfs/dbraw/zinc/13/16/68/429131668.db2.gz JFQPAJQPVHCYEJ-NXHRZFHOSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363874803 429131672 /nfs/dbraw/zinc/13/16/72/429131672.db2.gz JFQPAJQPVHCYEJ-NXHRZFHOSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363874803 429131676 /nfs/dbraw/zinc/13/16/76/429131676.db2.gz JFQPAJQPVHCYEJ-NXHRZFHOSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071191 429323677 /nfs/dbraw/zinc/32/36/77/429323677.db2.gz GMZRKQGCQWSUON-UONOGXRCSA-N 2 1 316.405 2.957 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292064158 281022754 /nfs/dbraw/zinc/02/27/54/281022754.db2.gz CXUIZOFSPAASLK-YOEHRIQHSA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292064158 281022756 /nfs/dbraw/zinc/02/27/56/281022756.db2.gz CXUIZOFSPAASLK-YOEHRIQHSA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292064158 281022758 /nfs/dbraw/zinc/02/27/58/281022758.db2.gz CXUIZOFSPAASLK-YOEHRIQHSA-N 2 1 303.406 2.992 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292064158 281022759 /nfs/dbraw/zinc/02/27/59/281022759.db2.gz CXUIZOFSPAASLK-YOEHRIQHSA-N 2 1 303.406 2.992 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000515388400 300304474 /nfs/dbraw/zinc/30/44/74/300304474.db2.gz ATIKAWJITVONAJ-BLLLJJGKSA-N 2 1 301.390 2.656 20 5 DFBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390902 214136914 /nfs/dbraw/zinc/13/69/14/214136914.db2.gz CWMKSHLFTCZRHY-CABCVRRESA-N 2 1 321.421 2.746 20 5 DFBDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390902 214136916 /nfs/dbraw/zinc/13/69/16/214136916.db2.gz CWMKSHLFTCZRHY-CABCVRRESA-N 2 1 321.421 2.746 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592424370 398424258 /nfs/dbraw/zinc/42/42/58/398424258.db2.gz MLIHTHAZJQAKHU-HWKANZROSA-N 2 1 301.390 2.824 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592424370 398424262 /nfs/dbraw/zinc/42/42/62/398424262.db2.gz MLIHTHAZJQAKHU-HWKANZROSA-N 2 1 301.390 2.824 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459731580 299174623 /nfs/dbraw/zinc/17/46/23/299174623.db2.gz FHLSIOWUXSFDJU-GJZGRUSLSA-N 2 1 305.422 2.847 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000591577313 398773188 /nfs/dbraw/zinc/77/31/88/398773188.db2.gz OUPVVBNTVHUDFE-CZUORRHYSA-N 2 1 303.406 2.648 20 5 DFBDMP Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591668406 398780092 /nfs/dbraw/zinc/78/00/92/398780092.db2.gz LIKXDHUPEJONEF-AWEZNQCLSA-N 2 1 303.406 2.867 20 5 DFBDMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598961773 398897854 /nfs/dbraw/zinc/89/78/54/398897854.db2.gz BJWSRYAVGHKBEH-ZDUSSCGKSA-N 2 1 307.394 2.566 20 5 DFBDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598961773 398897858 /nfs/dbraw/zinc/89/78/58/398897858.db2.gz BJWSRYAVGHKBEH-ZDUSSCGKSA-N 2 1 307.394 2.566 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000470170778 299293341 /nfs/dbraw/zinc/29/33/41/299293341.db2.gz AFWBUEFGSRYYRN-IHWMJMDHSA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000470170778 299293343 /nfs/dbraw/zinc/29/33/43/299293343.db2.gz AFWBUEFGSRYYRN-IHWMJMDHSA-N 2 1 303.406 2.882 20 5 DFBDMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275513151 212385219 /nfs/dbraw/zinc/38/52/19/212385219.db2.gz KNHVLVRLMHGAFW-STQMWFEESA-N 2 1 300.362 2.705 20 5 DFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000601101901 399226602 /nfs/dbraw/zinc/22/66/02/399226602.db2.gz XGWFHXGSJZTTKE-UHFFFAOYSA-N 2 1 312.373 2.604 20 5 DFBDMP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601125160 399234237 /nfs/dbraw/zinc/23/42/37/399234237.db2.gz NDNPLXFCTJTCTR-CYBMUJFWSA-N 2 1 314.389 2.921 20 5 DFBDMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601125160 399234239 /nfs/dbraw/zinc/23/42/39/399234239.db2.gz NDNPLXFCTJTCTR-CYBMUJFWSA-N 2 1 314.389 2.921 20 5 DFBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C[NH3+] ZINC000602021636 399386199 /nfs/dbraw/zinc/38/61/99/399386199.db2.gz QTNQYQQWOOBGJG-TZMCWYRMSA-N 2 1 315.373 2.881 20 5 DFBDMP CCC[NH+]1CCC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109788443 194285063 /nfs/dbraw/zinc/28/50/63/194285063.db2.gz JLNJSKNFDFRTCO-UHFFFAOYSA-N 2 1 321.421 2.780 20 5 DFBDMP CCC[NH+]1CCC([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109788443 194285066 /nfs/dbraw/zinc/28/50/66/194285066.db2.gz JLNJSKNFDFRTCO-UHFFFAOYSA-N 2 1 321.421 2.780 20 5 DFBDMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268849101 207016013 /nfs/dbraw/zinc/01/60/13/207016013.db2.gz XNCCKWWDXGNXRB-MRXNPFEDSA-N 2 1 314.389 2.711 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000423211224 296392840 /nfs/dbraw/zinc/39/28/40/296392840.db2.gz ILDPGJDSGMDLSY-YXQSOJMXSA-N 2 1 319.405 2.927 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424376484 296505807 /nfs/dbraw/zinc/50/58/07/296505807.db2.gz PJUKXEYHEYVGAP-IACUBPJLSA-N 2 1 307.394 2.914 20 5 DFBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000255029009 146231249 /nfs/dbraw/zinc/23/12/49/146231249.db2.gz TVEVAJJLSAUZAJ-AJHXJQRKSA-N 2 1 303.406 2.882 20 5 DFBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000255029009 146231255 /nfs/dbraw/zinc/23/12/55/146231255.db2.gz TVEVAJJLSAUZAJ-AJHXJQRKSA-N 2 1 303.406 2.882 20 5 DFBDMP C[NH+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000255029009 146231258 /nfs/dbraw/zinc/23/12/58/146231258.db2.gz TVEVAJJLSAUZAJ-AJHXJQRKSA-N 2 1 303.406 2.882 20 5 DFBDMP C[NH+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000255029009 146231262 /nfs/dbraw/zinc/23/12/62/146231262.db2.gz TVEVAJJLSAUZAJ-AJHXJQRKSA-N 2 1 303.406 2.882 20 5 DFBDMP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262055310 146328254 /nfs/dbraw/zinc/32/82/54/146328254.db2.gz QPMOKHUZZFMCAL-UHFFFAOYSA-N 2 1 309.797 2.824 20 5 DFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371480942 150054360 /nfs/dbraw/zinc/05/43/60/150054360.db2.gz SCXISNWBTBETIX-DZGCQCFKSA-N 2 1 314.389 2.717 20 5 DFBDMP C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[NH+]1C ZINC000075861161 426088097 /nfs/dbraw/zinc/08/80/97/426088097.db2.gz JDDTVYQBRXNXKL-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[NH+]1C ZINC000075861161 426088098 /nfs/dbraw/zinc/08/80/98/426088098.db2.gz JDDTVYQBRXNXKL-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@@H+]1C ZINC000075861161 426088101 /nfs/dbraw/zinc/08/81/01/426088101.db2.gz JDDTVYQBRXNXKL-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@H+]1C ZINC000075861161 426088103 /nfs/dbraw/zinc/08/81/03/426088103.db2.gz JDDTVYQBRXNXKL-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000136292167 426238179 /nfs/dbraw/zinc/23/81/79/426238179.db2.gz BRJALGDLEYMBRX-UHFFFAOYSA-N 2 1 302.378 2.664 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000136292167 426238181 /nfs/dbraw/zinc/23/81/81/426238181.db2.gz BRJALGDLEYMBRX-UHFFFAOYSA-N 2 1 302.378 2.664 20 5 DFBDMP C[C@@H]1C[C@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123749327 426451679 /nfs/dbraw/zinc/45/16/79/426451679.db2.gz TUXZYRFDXNMHPV-GDBMZVCRSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@@H]1C[C@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123749327 426451681 /nfs/dbraw/zinc/45/16/81/426451681.db2.gz TUXZYRFDXNMHPV-GDBMZVCRSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@@H]1C[C@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123749327 426451684 /nfs/dbraw/zinc/45/16/84/426451684.db2.gz TUXZYRFDXNMHPV-GDBMZVCRSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@@H]1C[C@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123749327 426451688 /nfs/dbraw/zinc/45/16/88/426451688.db2.gz TUXZYRFDXNMHPV-GDBMZVCRSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@@H]1C[C@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123749327 426451692 /nfs/dbraw/zinc/45/16/92/426451692.db2.gz TUXZYRFDXNMHPV-GDBMZVCRSA-N 2 1 321.421 2.778 20 5 DFBDMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000178292282 426599907 /nfs/dbraw/zinc/59/99/07/426599907.db2.gz DZATXSBBHMTYEJ-INIZCTEOSA-N 2 1 300.362 2.764 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000228475060 426632477 /nfs/dbraw/zinc/63/24/77/426632477.db2.gz KJGOEBUYFNJRAM-LERXQTSPSA-N 2 1 309.797 2.807 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000228475060 426632484 /nfs/dbraw/zinc/63/24/84/426632484.db2.gz KJGOEBUYFNJRAM-LERXQTSPSA-N 2 1 309.797 2.807 20 5 DFBDMP C[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000248178077 426985534 /nfs/dbraw/zinc/98/55/34/426985534.db2.gz VYVRQRHPWBHUCT-RHSMWYFYSA-N 2 1 317.433 2.847 20 5 DFBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284254378 427166040 /nfs/dbraw/zinc/16/60/40/427166040.db2.gz VVJSULNDQLKIAY-KBPBESRZSA-N 2 1 320.437 2.948 20 5 DFBDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278889832 427490706 /nfs/dbraw/zinc/49/07/06/427490706.db2.gz YLOFUXOAMWTKSC-KRWDZBQOSA-N 2 1 301.390 2.824 20 5 DFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271825694 427590011 /nfs/dbraw/zinc/59/00/11/427590011.db2.gz DCJVLEVOEAFCIU-AWEZNQCLSA-N 2 1 303.406 2.767 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344737855 272364070 /nfs/dbraw/zinc/36/40/70/272364070.db2.gz CMEYOHCFYSUWGZ-YCPHGPKFSA-N 2 1 305.422 2.988 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344737855 272364071 /nfs/dbraw/zinc/36/40/71/272364071.db2.gz CMEYOHCFYSUWGZ-YCPHGPKFSA-N 2 1 305.422 2.988 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344755483 272365254 /nfs/dbraw/zinc/36/52/54/272365254.db2.gz CSINIQGIRULILH-GXDHUFHOSA-N 2 1 301.390 2.850 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1CNCCC[NH2+]Cc1cccnc1 ZINC000414871229 428441578 /nfs/dbraw/zinc/44/15/78/428441578.db2.gz DIEWBNCBAMHGBO-UHFFFAOYSA-N 2 1 314.389 2.568 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414871229 428441584 /nfs/dbraw/zinc/44/15/84/428441584.db2.gz DIEWBNCBAMHGBO-UHFFFAOYSA-N 2 1 314.389 2.568 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414922850 428460530 /nfs/dbraw/zinc/46/05/30/428460530.db2.gz HKZWPPNDEDKQLS-GHMZBOCLSA-N 2 1 315.320 2.556 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cc[nH+]c1C ZINC000344842349 428710051 /nfs/dbraw/zinc/71/00/51/428710051.db2.gz AZFJCLLNNUQOEF-JLHYYAGUSA-N 2 1 300.362 2.793 20 5 DFBDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352727 429071266 /nfs/dbraw/zinc/07/12/66/429071266.db2.gz AKCZCIQGTRNSBJ-SRABZTEZSA-N 2 1 317.433 2.894 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423398973 429080753 /nfs/dbraw/zinc/08/07/53/429080753.db2.gz VRVSGAXZLQAZMO-CJNGLKHVSA-N 2 1 305.422 2.894 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369279625 429922454 /nfs/dbraw/zinc/92/24/54/429922454.db2.gz MKXMYDROHHTIRS-AWEZNQCLSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369279625 429922455 /nfs/dbraw/zinc/92/24/55/429922455.db2.gz MKXMYDROHHTIRS-AWEZNQCLSA-N 2 1 314.389 2.794 20 5 DFBDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582546265 430309956 /nfs/dbraw/zinc/30/99/56/430309956.db2.gz JUEOGOHRBBAXRN-MNOVXSKESA-N 2 1 320.418 2.934 20 5 DFBDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582546266 430310736 /nfs/dbraw/zinc/31/07/36/430310736.db2.gz JUEOGOHRBBAXRN-QWRGUYRKSA-N 2 1 320.418 2.934 20 5 DFBDMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000549172389 430518513 /nfs/dbraw/zinc/51/85/13/430518513.db2.gz ZKCGTZJZKXZIFA-KEDPEKRHSA-N 2 1 303.406 2.928 20 5 DFBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000549172390 430519883 /nfs/dbraw/zinc/51/98/83/430519883.db2.gz ZKCGTZJZKXZIFA-PKYBCLHXSA-N 2 1 303.406 2.928 20 5 DFBDMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000158107225 295358133 /nfs/dbraw/zinc/35/81/33/295358133.db2.gz VYVRQRHPWBHUCT-YOEHRIQHSA-N 2 1 317.433 2.847 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453402757 298090560 /nfs/dbraw/zinc/09/05/60/298090560.db2.gz NSWZXLSGCUGCOP-AWEZNQCLSA-N 2 1 305.422 2.990 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000530407254 301046091 /nfs/dbraw/zinc/04/60/91/301046091.db2.gz IKWYNSRDDWJYOF-GFCCVEGCSA-N 2 1 318.377 2.620 20 5 DFBDMP Cc1cc(NCC[N@H+](C)C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000317070200 231156659 /nfs/dbraw/zinc/15/66/59/231156659.db2.gz WOIYJNXSHHUWKY-UHFFFAOYSA-N 2 1 300.362 2.958 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433765 398425333 /nfs/dbraw/zinc/42/53/33/398425333.db2.gz TZZWBRDMZRVUKB-JKSUJKDBSA-N 2 1 303.406 2.806 20 5 DFBDMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292846652 530065071 /nfs/dbraw/zinc/06/50/71/530065071.db2.gz BOMAFSQXKJGAKY-KRWDZBQOSA-N 2 1 303.406 2.555 20 5 DFBDMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292846652 530065072 /nfs/dbraw/zinc/06/50/72/530065072.db2.gz BOMAFSQXKJGAKY-KRWDZBQOSA-N 2 1 303.406 2.555 20 5 DFBDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292846652 530065073 /nfs/dbraw/zinc/06/50/73/530065073.db2.gz BOMAFSQXKJGAKY-KRWDZBQOSA-N 2 1 303.406 2.555 20 5 DFBDMP C[C@H]([NH3+])CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414827594 295823127 /nfs/dbraw/zinc/82/31/27/295823127.db2.gz YAMWTHKOYXFUFH-JTQLQIEISA-N 2 1 306.391 2.545 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780440 198384333 /nfs/dbraw/zinc/38/43/33/198384333.db2.gz CFXALTJLJMGIQV-RHSMWYFYSA-N 2 1 305.422 2.799 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780440 198384334 /nfs/dbraw/zinc/38/43/34/198384334.db2.gz CFXALTJLJMGIQV-RHSMWYFYSA-N 2 1 305.422 2.799 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780440 198384335 /nfs/dbraw/zinc/38/43/35/198384335.db2.gz CFXALTJLJMGIQV-RHSMWYFYSA-N 2 1 305.422 2.799 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000591578043 398773193 /nfs/dbraw/zinc/77/31/93/398773193.db2.gz PAYLWBHBHNJPBI-JKSUJKDBSA-N 2 1 303.406 2.648 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1c[nH+]cn1C ZINC000598918050 398892842 /nfs/dbraw/zinc/89/28/42/398892842.db2.gz QRWOCUXJAXMEIL-MDWZMJQESA-N 2 1 300.362 2.564 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000595051263 398897965 /nfs/dbraw/zinc/89/79/65/398897965.db2.gz MRGKXBXCUVKCPO-ZIAGYGMSSA-N 2 1 321.421 2.986 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000618197187 399041282 /nfs/dbraw/zinc/04/12/82/399041282.db2.gz YDCFYBYPACQPFC-MFBWXBCUSA-N 2 1 312.373 2.657 20 5 DFBDMP NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788393 399146601 /nfs/dbraw/zinc/14/66/01/399146601.db2.gz IZDBXBGEZMHAGM-MRXNPFEDSA-N 2 1 312.373 2.580 20 5 DFBDMP NC[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788393 399146603 /nfs/dbraw/zinc/14/66/03/399146603.db2.gz IZDBXBGEZMHAGM-MRXNPFEDSA-N 2 1 312.373 2.580 20 5 DFBDMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788393 399146608 /nfs/dbraw/zinc/14/66/08/399146608.db2.gz IZDBXBGEZMHAGM-MRXNPFEDSA-N 2 1 312.373 2.580 20 5 DFBDMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788393 399146613 /nfs/dbraw/zinc/14/66/13/399146613.db2.gz IZDBXBGEZMHAGM-MRXNPFEDSA-N 2 1 312.373 2.580 20 5 DFBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329233 296176020 /nfs/dbraw/zinc/17/60/20/296176020.db2.gz ODBUTCVMPARGMP-ILXRZTDVSA-N 2 1 303.406 2.977 20 5 DFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344105 296178219 /nfs/dbraw/zinc/17/82/19/296178219.db2.gz SBTPPPUGXCLPCP-VNQPRFMTSA-N 2 1 303.406 2.977 20 5 DFBDMP O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000423091180 296377209 /nfs/dbraw/zinc/37/72/09/296377209.db2.gz WWZOJTNVBCYWAP-LBPRGKRZSA-N 2 1 317.311 2.845 20 5 DFBDMP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423268790 296398940 /nfs/dbraw/zinc/39/89/40/296398940.db2.gz DYGKZTMIAPDXMT-KBMXLJTQSA-N 2 1 303.406 2.633 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261982921 146315864 /nfs/dbraw/zinc/31/58/64/146315864.db2.gz JLFHYKUVEQMCPS-HWKANZROSA-N 2 1 301.390 2.684 20 5 DFBDMP C[C@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000358170652 148270076 /nfs/dbraw/zinc/27/00/76/148270076.db2.gz FDNCIJHNOLFASB-GOEBONIOSA-N 2 1 305.422 2.990 20 5 DFBDMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000361766333 149213031 /nfs/dbraw/zinc/21/30/31/149213031.db2.gz RXKOVDSVWSRQQQ-XOKHGSTOSA-N 2 1 317.433 2.988 20 5 DFBDMP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@H+]1C ZINC000361766333 149213036 /nfs/dbraw/zinc/21/30/36/149213036.db2.gz RXKOVDSVWSRQQQ-XOKHGSTOSA-N 2 1 317.433 2.988 20 5 DFBDMP C[NH+](C)CCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000351811826 286224135 /nfs/dbraw/zinc/22/41/35/286224135.db2.gz CPSFRIHIENSAJN-UHFFFAOYSA-N 2 1 309.385 2.898 20 5 DFBDMP [NH3+]CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000352512394 286394059 /nfs/dbraw/zinc/39/40/59/286394059.db2.gz XJSWKZPWBPEUCM-UHFFFAOYSA-N 2 1 321.421 2.815 20 5 DFBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572615 426224256 /nfs/dbraw/zinc/22/42/56/426224256.db2.gz BLJOLDJRGNQZAH-INIZCTEOSA-N 2 1 305.422 2.801 20 5 DFBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572615 426224258 /nfs/dbraw/zinc/22/42/58/426224258.db2.gz BLJOLDJRGNQZAH-INIZCTEOSA-N 2 1 305.422 2.801 20 5 DFBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572615 426224260 /nfs/dbraw/zinc/22/42/60/426224260.db2.gz BLJOLDJRGNQZAH-INIZCTEOSA-N 2 1 305.422 2.801 20 5 DFBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572615 426224262 /nfs/dbraw/zinc/22/42/62/426224262.db2.gz BLJOLDJRGNQZAH-INIZCTEOSA-N 2 1 305.422 2.801 20 5 DFBDMP COc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641628 426444901 /nfs/dbraw/zinc/44/49/01/426444901.db2.gz BWPHVXBJYIZXOQ-OCCSQVGLSA-N 2 1 307.394 2.518 20 5 DFBDMP Cc1cc(N2CC[N@H+]3CCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000248385980 426995858 /nfs/dbraw/zinc/99/58/58/426995858.db2.gz KQTZXEDAYBNCHL-AWEZNQCLSA-N 2 1 312.373 2.736 20 5 DFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000359455105 427858591 /nfs/dbraw/zinc/85/85/91/427858591.db2.gz CBWPHPOSNUHQFZ-KBPBESRZSA-N 2 1 313.357 2.506 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377858897 428248010 /nfs/dbraw/zinc/24/80/10/428248010.db2.gz CWHDUAHWNHCKFD-AWEZNQCLSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377858897 428248013 /nfs/dbraw/zinc/24/80/13/428248013.db2.gz CWHDUAHWNHCKFD-AWEZNQCLSA-N 2 1 314.389 2.794 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414925792 428460557 /nfs/dbraw/zinc/46/05/57/428460557.db2.gz MFKVBBROYQHTQN-FVQBIDKESA-N 2 1 303.406 2.648 20 5 DFBDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000353389817 428518247 /nfs/dbraw/zinc/51/82/47/428518247.db2.gz XIDMWOKZLDBQKX-KFWWJZLASA-N 2 1 319.405 2.566 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224607 428926637 /nfs/dbraw/zinc/92/66/37/428926637.db2.gz NYSVMDKJYQMKGT-YOEHRIQHSA-N 2 1 305.422 2.942 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224607 428926643 /nfs/dbraw/zinc/92/66/43/428926643.db2.gz NYSVMDKJYQMKGT-YOEHRIQHSA-N 2 1 305.422 2.942 20 5 DFBDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382768 429076204 /nfs/dbraw/zinc/07/62/04/429076204.db2.gz PCQJUGOTWJJBHR-APHBMKBZSA-N 2 1 303.406 2.646 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000423383786 429078972 /nfs/dbraw/zinc/07/89/72/429078972.db2.gz FGCVLLZVHGDHBX-MBNYWOFBSA-N 2 1 307.394 2.642 20 5 DFBDMP CCOc1ccc([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423502990 429102334 /nfs/dbraw/zinc/10/23/34/429102334.db2.gz DKJJLKNRKJYXNX-PBFPGSCMSA-N 2 1 321.421 2.971 20 5 DFBDMP CCOc1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423502990 429102336 /nfs/dbraw/zinc/10/23/36/429102336.db2.gz DKJJLKNRKJYXNX-PBFPGSCMSA-N 2 1 321.421 2.971 20 5 DFBDMP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)C[NH3+] ZINC000423514204 429107257 /nfs/dbraw/zinc/10/72/57/429107257.db2.gz SMKVCVLYCWDOFV-CSMYWGQOSA-N 2 1 303.406 2.889 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449092576 429329739 /nfs/dbraw/zinc/32/97/39/429329739.db2.gz UORJYOAJEJLZPV-KBMXLJTQSA-N 2 1 303.406 2.742 20 5 DFBDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430207406 429662546 /nfs/dbraw/zinc/66/25/46/429662546.db2.gz ZNBAYUPNZGYNQY-CJNGLKHVSA-N 2 1 321.421 2.766 20 5 DFBDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000368131661 429796116 /nfs/dbraw/zinc/79/61/16/429796116.db2.gz BDRCQWNSWYIHFJ-CQSZACIVSA-N 2 1 309.435 2.820 20 5 DFBDMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507156 430633223 /nfs/dbraw/zinc/63/32/23/430633223.db2.gz SCIUIHRQAGFLAV-CXAGYDPISA-N 2 1 303.406 2.904 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000515388401 300304421 /nfs/dbraw/zinc/30/44/21/300304421.db2.gz ATIKAWJITVONAJ-LRDDRELGSA-N 2 1 301.390 2.656 20 5 DFBDMP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000360020997 316573904 /nfs/dbraw/zinc/57/39/04/316573904.db2.gz VNKWINNHERSJCE-UKRRQHHQSA-N 2 1 300.362 2.847 20 5 DFBDMP C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000580093183 318375778 /nfs/dbraw/zinc/37/57/78/318375778.db2.gz BJGUHNOCTVISGQ-CZUORRHYSA-N 2 1 303.406 2.904 20 5 DFBDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000580293188 323365460 /nfs/dbraw/zinc/36/54/60/323365460.db2.gz JRWLKSSIRQKVFR-QGZVFWFLSA-N 2 1 314.389 2.928 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492600 398433712 /nfs/dbraw/zinc/43/37/12/398433712.db2.gz BMVWNVSTESFSOQ-KGLIPLIRSA-N 2 1 321.396 2.946 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592494006 398433735 /nfs/dbraw/zinc/43/37/35/398433735.db2.gz YVUDDFKLNBMREP-IAGOWNOFSA-N 2 1 317.433 2.849 20 5 DFBDMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414848095 295825791 /nfs/dbraw/zinc/82/57/91/295825791.db2.gz WRSLVJZEKQTMHN-GFCCVEGCSA-N 2 1 303.362 2.800 20 5 DFBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CC[NH2+]C3)o2)c1 ZINC000414901942 295832459 /nfs/dbraw/zinc/83/24/59/295832459.db2.gz GRCALQBBAREHNG-GFCCVEGCSA-N 2 1 301.346 2.554 20 5 DFBDMP C[C@H](CC[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414899141 295831924 /nfs/dbraw/zinc/83/19/24/295831924.db2.gz UFSVMDKMGBKOSK-SNVBAGLBSA-N 2 1 306.391 2.545 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780430 198384873 /nfs/dbraw/zinc/38/48/73/198384873.db2.gz CFXALTJLJMGIQV-PBHICJAKSA-N 2 1 305.422 2.799 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780430 198384875 /nfs/dbraw/zinc/38/48/75/198384875.db2.gz CFXALTJLJMGIQV-PBHICJAKSA-N 2 1 305.422 2.799 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780430 198384877 /nfs/dbraw/zinc/38/48/77/198384877.db2.gz CFXALTJLJMGIQV-PBHICJAKSA-N 2 1 305.422 2.799 20 5 DFBDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517065 192279601 /nfs/dbraw/zinc/27/96/01/192279601.db2.gz XOVWNQSLEPYQBW-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517065 192279604 /nfs/dbraw/zinc/27/96/04/192279604.db2.gz XOVWNQSLEPYQBW-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517065 192279607 /nfs/dbraw/zinc/27/96/07/192279607.db2.gz XOVWNQSLEPYQBW-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517065 192279610 /nfs/dbraw/zinc/27/96/10/192279610.db2.gz XOVWNQSLEPYQBW-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376283 398929286 /nfs/dbraw/zinc/92/92/86/398929286.db2.gz HFCYHWZSIJPROY-SWLSCSKDSA-N 2 1 309.385 2.896 20 5 DFBDMP C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000600708824 399120246 /nfs/dbraw/zinc/12/02/46/399120246.db2.gz GPDZCQOVHCHBLA-UHOFOFEASA-N 2 1 303.406 2.646 20 5 DFBDMP CCC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600709008 399120566 /nfs/dbraw/zinc/12/05/66/399120566.db2.gz MZXOVZQQPQATDV-OAHLLOKOSA-N 2 1 307.394 2.534 20 5 DFBDMP O=[N+]([O-])c1cccc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420360945 296180004 /nfs/dbraw/zinc/18/00/04/296180004.db2.gz MQXOFBGHUSUTKZ-CQSZACIVSA-N 2 1 303.406 2.949 20 5 DFBDMP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601111450 399230667 /nfs/dbraw/zinc/23/06/67/399230667.db2.gz SAKBWLFVHPDXBO-ZDUSSCGKSA-N 2 1 300.362 2.673 20 5 DFBDMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601136705 399238225 /nfs/dbraw/zinc/23/82/25/399238225.db2.gz JVHWKZMWGBQEMM-VXGBXAGGSA-N 2 1 300.362 2.672 20 5 DFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000614772371 399266590 /nfs/dbraw/zinc/26/65/90/399266590.db2.gz XHVAGOVXPQQKPZ-GFCCVEGCSA-N 2 1 318.352 2.625 20 5 DFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000614772371 399266592 /nfs/dbraw/zinc/26/65/92/399266592.db2.gz XHVAGOVXPQQKPZ-GFCCVEGCSA-N 2 1 318.352 2.625 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000608835959 399299077 /nfs/dbraw/zinc/29/90/77/399299077.db2.gz CAWOZLJRBKNEAK-MCIOBPLBSA-N 2 1 301.390 2.824 20 5 DFBDMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000105875803 194152950 /nfs/dbraw/zinc/15/29/50/194152950.db2.gz WEUOHMMIUWICNI-UHFFFAOYSA-N 2 1 314.389 2.783 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601972676 399372097 /nfs/dbraw/zinc/37/20/97/399372097.db2.gz MZVGCUVJABZVGK-AWEZNQCLSA-N 2 1 321.421 2.861 20 5 DFBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C[NH3+] ZINC000602022238 399386216 /nfs/dbraw/zinc/38/62/16/399386216.db2.gz SBUIBHINYGYJQP-OLZOCXBDSA-N 2 1 315.373 2.881 20 5 DFBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000602023564 399386807 /nfs/dbraw/zinc/38/68/07/399386807.db2.gz XTVCEDMZLUOBFN-GXTWGEPZSA-N 2 1 315.373 2.881 20 5 DFBDMP C[NH+]1CCC2(CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611266368 399453558 /nfs/dbraw/zinc/45/35/58/399453558.db2.gz IQINCGOSTDZMFB-UHFFFAOYSA-N 2 1 303.406 2.698 20 5 DFBDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347063408 285008679 /nfs/dbraw/zinc/00/86/79/285008679.db2.gz JHODNLIUHVKBOF-ZDUSSCGKSA-N 2 1 315.373 2.896 20 5 DFBDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347063408 285008682 /nfs/dbraw/zinc/00/86/82/285008682.db2.gz JHODNLIUHVKBOF-ZDUSSCGKSA-N 2 1 315.373 2.896 20 5 DFBDMP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423268789 296398926 /nfs/dbraw/zinc/39/89/26/296398926.db2.gz DYGKZTMIAPDXMT-IMJJTQAJSA-N 2 1 303.406 2.633 20 5 DFBDMP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1[N+](=O)[O-] ZINC000289626071 221111732 /nfs/dbraw/zinc/11/17/32/221111732.db2.gz LSLFWQQALVIGSU-XYPWUTKMSA-N 2 1 303.406 2.960 20 5 DFBDMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1[N+](=O)[O-] ZINC000289626071 221111734 /nfs/dbraw/zinc/11/17/34/221111734.db2.gz LSLFWQQALVIGSU-XYPWUTKMSA-N 2 1 303.406 2.960 20 5 DFBDMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000289626071 221111737 /nfs/dbraw/zinc/11/17/37/221111737.db2.gz LSLFWQQALVIGSU-XYPWUTKMSA-N 2 1 303.406 2.960 20 5 DFBDMP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000289626071 221111738 /nfs/dbraw/zinc/11/17/38/221111738.db2.gz LSLFWQQALVIGSU-XYPWUTKMSA-N 2 1 303.406 2.960 20 5 DFBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000255337536 146232495 /nfs/dbraw/zinc/23/24/95/146232495.db2.gz VGBNWJIXBGXTMD-ALCCZGGFSA-N 2 1 303.406 2.882 20 5 DFBDMP C[C@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000358170654 148269790 /nfs/dbraw/zinc/26/97/90/148269790.db2.gz FDNCIJHNOLFASB-HOCLYGCPSA-N 2 1 305.422 2.990 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000371695123 150082330 /nfs/dbraw/zinc/08/23/30/150082330.db2.gz WBAXVLWFDZPEEI-UHFFFAOYSA-N 2 1 319.405 2.664 20 5 DFBDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159194081 425956870 /nfs/dbraw/zinc/95/68/70/425956870.db2.gz XHUOKXGOHYDUKR-CQSZACIVSA-N 2 1 321.421 2.746 20 5 DFBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076002430 426093706 /nfs/dbraw/zinc/09/37/06/426093706.db2.gz UMNYYRLMUNILCU-INIZCTEOSA-N 2 1 305.422 2.801 20 5 DFBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076002430 426093709 /nfs/dbraw/zinc/09/37/09/426093709.db2.gz UMNYYRLMUNILCU-INIZCTEOSA-N 2 1 305.422 2.801 20 5 DFBDMP CCC[N@@H+](C)C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174949415 426270731 /nfs/dbraw/zinc/27/07/31/426270731.db2.gz ONLOZXBWVHSGHB-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174949415 426270733 /nfs/dbraw/zinc/27/07/33/426270733.db2.gz ONLOZXBWVHSGHB-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174949415 426270736 /nfs/dbraw/zinc/27/07/36/426270736.db2.gz ONLOZXBWVHSGHB-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174949415 426270740 /nfs/dbraw/zinc/27/07/40/426270740.db2.gz ONLOZXBWVHSGHB-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000174949415 426270742 /nfs/dbraw/zinc/27/07/42/426270742.db2.gz ONLOZXBWVHSGHB-OAHLLOKOSA-N 2 1 321.421 2.637 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000290457960 426768744 /nfs/dbraw/zinc/76/87/44/426768744.db2.gz MUPBQACFJPVNLN-UHFFFAOYSA-N 2 1 302.378 2.930 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000290457960 426768750 /nfs/dbraw/zinc/76/87/50/426768750.db2.gz MUPBQACFJPVNLN-UHFFFAOYSA-N 2 1 302.378 2.930 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000290607334 426803205 /nfs/dbraw/zinc/80/32/05/426803205.db2.gz WHEJJFNEMHOEPP-RDJZCZTQSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000290607334 426803208 /nfs/dbraw/zinc/80/32/08/426803208.db2.gz WHEJJFNEMHOEPP-RDJZCZTQSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000290607334 426803212 /nfs/dbraw/zinc/80/32/12/426803212.db2.gz WHEJJFNEMHOEPP-RDJZCZTQSA-N 2 1 303.406 2.819 20 5 DFBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184644 426986485 /nfs/dbraw/zinc/98/64/85/426986485.db2.gz XBHDJOHZZVFPGF-DOTOQJQBSA-N 2 1 303.406 2.553 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344319904 272311563 /nfs/dbraw/zinc/31/15/63/272311563.db2.gz HVKFTTYDIOEROP-CYBMUJFWSA-N 2 1 319.405 2.906 20 5 DFBDMP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377683477 428192685 /nfs/dbraw/zinc/19/26/85/428192685.db2.gz ZKZVBVKEHUZUGX-OAHLLOKOSA-N 2 1 314.389 2.528 20 5 DFBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377683477 428192688 /nfs/dbraw/zinc/19/26/88/428192688.db2.gz ZKZVBVKEHUZUGX-OAHLLOKOSA-N 2 1 314.389 2.528 20 5 DFBDMP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC([NH3+])C1 ZINC000414766180 428399164 /nfs/dbraw/zinc/39/91/64/428399164.db2.gz DGXMETPNLHMZIO-UHFFFAOYSA-N 2 1 301.346 2.776 20 5 DFBDMP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC([NH3+])C1 ZINC000414766180 428399170 /nfs/dbraw/zinc/39/91/70/428399170.db2.gz DGXMETPNLHMZIO-UHFFFAOYSA-N 2 1 301.346 2.776 20 5 DFBDMP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372576252 428464976 /nfs/dbraw/zinc/46/49/76/428464976.db2.gz YBLCATGCUBQNLI-HNNXBMFYSA-N 2 1 314.389 2.528 20 5 DFBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372576252 428464979 /nfs/dbraw/zinc/46/49/79/428464979.db2.gz YBLCATGCUBQNLI-HNNXBMFYSA-N 2 1 314.389 2.528 20 5 DFBDMP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415124952 428529695 /nfs/dbraw/zinc/52/96/95/428529695.db2.gz DCWARANQBQGLDD-UHFFFAOYSA-N 2 1 303.362 2.896 20 5 DFBDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415124952 428529698 /nfs/dbraw/zinc/52/96/98/428529698.db2.gz DCWARANQBQGLDD-UHFFFAOYSA-N 2 1 303.362 2.896 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000349201779 428939273 /nfs/dbraw/zinc/93/92/73/428939273.db2.gz MHLMKZFZJRYMKF-LBPRGKRZSA-N 2 1 318.377 2.849 20 5 DFBDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449319136 429386258 /nfs/dbraw/zinc/38/62/58/429386258.db2.gz ITJCZQYBJKJAFG-HOCLYGCPSA-N 2 1 305.422 2.990 20 5 DFBDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449319136 429386263 /nfs/dbraw/zinc/38/62/63/429386263.db2.gz ITJCZQYBJKJAFG-HOCLYGCPSA-N 2 1 305.422 2.990 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784627 429510836 /nfs/dbraw/zinc/51/08/36/429510836.db2.gz XRSDSTNSCFPMDZ-AWEZNQCLSA-N 2 1 305.422 2.990 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784627 429510840 /nfs/dbraw/zinc/51/08/40/429510840.db2.gz XRSDSTNSCFPMDZ-AWEZNQCLSA-N 2 1 305.422 2.990 20 5 DFBDMP C[C@H]1CC[N@@H+](CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507159 430633414 /nfs/dbraw/zinc/63/34/14/430633414.db2.gz SCIUIHRQAGFLAV-SUMWQHHRSA-N 2 1 303.406 2.904 20 5 DFBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000539089281 301337783 /nfs/dbraw/zinc/33/77/83/301337783.db2.gz QUNJDTCMPSRWQR-PBHICJAKSA-N 2 1 305.422 2.847 20 5 DFBDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F)CC[NH2+]CC2 ZINC000575244239 318071914 /nfs/dbraw/zinc/07/19/14/318071914.db2.gz QDQSIFDRHFTOAS-GFCCVEGCSA-N 2 1 307.369 2.698 20 5 DFBDMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192847419 323248622 /nfs/dbraw/zinc/24/86/22/323248622.db2.gz HSZVDQWIEHCDKT-SUMWQHHRSA-N 2 1 303.406 2.904 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000245512073 535413617 /nfs/dbraw/zinc/41/36/17/535413617.db2.gz ZSVVRGVSHXLDNQ-ZIAGYGMSSA-N 2 1 321.421 2.986 20 5 DFBDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081635394 398363978 /nfs/dbraw/zinc/36/39/78/398363978.db2.gz GALVTQMSQKIACD-KRWDZBQOSA-N 2 1 317.433 2.801 20 5 DFBDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081635394 398363982 /nfs/dbraw/zinc/36/39/82/398363982.db2.gz GALVTQMSQKIACD-KRWDZBQOSA-N 2 1 317.433 2.801 20 5 DFBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081635394 398363985 /nfs/dbraw/zinc/36/39/85/398363985.db2.gz GALVTQMSQKIACD-KRWDZBQOSA-N 2 1 317.433 2.801 20 5 DFBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081635394 398363988 /nfs/dbraw/zinc/36/39/88/398363988.db2.gz GALVTQMSQKIACD-KRWDZBQOSA-N 2 1 317.433 2.801 20 5 DFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248759111 398408756 /nfs/dbraw/zinc/40/87/56/398408756.db2.gz DFYGCCKOQNNPCS-DYVFJYSZSA-N 2 1 303.406 2.904 20 5 DFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433761 398425123 /nfs/dbraw/zinc/42/51/23/398425123.db2.gz SUHXSQXWYQXFOC-JKSUJKDBSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000314788971 398521990 /nfs/dbraw/zinc/52/19/90/398521990.db2.gz UZVGDYXXZKQXCD-NVXWUHKLSA-N 2 1 303.406 2.601 20 5 DFBDMP C[N@H+]1CCC[C@H](CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000459742350 299178864 /nfs/dbraw/zinc/17/88/64/299178864.db2.gz VTQYBGMHAUYPPX-UFRMUOTOSA-N 2 1 303.406 2.930 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000594615326 398834195 /nfs/dbraw/zinc/83/41/95/398834195.db2.gz SLCKJVKZYHKSAM-IUODEOHRSA-N 2 1 312.373 2.631 20 5 DFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594735703 398852239 /nfs/dbraw/zinc/85/22/39/398852239.db2.gz NFFWJAHMMDHYNY-INIZCTEOSA-N 2 1 303.406 2.806 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000470214780 299293660 /nfs/dbraw/zinc/29/36/60/299293660.db2.gz HDAJPYZMSWWYJX-IHWMJMDHSA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000470214780 299293661 /nfs/dbraw/zinc/29/36/61/299293661.db2.gz HDAJPYZMSWWYJX-IHWMJMDHSA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000470214780 299293662 /nfs/dbraw/zinc/29/36/62/299293662.db2.gz HDAJPYZMSWWYJX-IHWMJMDHSA-N 2 1 303.406 2.882 20 5 DFBDMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000092043254 193145380 /nfs/dbraw/zinc/14/53/80/193145380.db2.gz LLZYSDMWHPURHL-HZPDHXFCSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000092043254 193145381 /nfs/dbraw/zinc/14/53/81/193145381.db2.gz LLZYSDMWHPURHL-HZPDHXFCSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000092043254 193145383 /nfs/dbraw/zinc/14/53/83/193145383.db2.gz LLZYSDMWHPURHL-HZPDHXFCSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000092043254 193145385 /nfs/dbraw/zinc/14/53/85/193145385.db2.gz LLZYSDMWHPURHL-HZPDHXFCSA-N 2 1 303.406 2.819 20 5 DFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600678633 399115732 /nfs/dbraw/zinc/11/57/32/399115732.db2.gz NRJWFIXATPVVRM-BBRMVZONSA-N 2 1 303.406 2.790 20 5 DFBDMP C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000600708821 399120902 /nfs/dbraw/zinc/12/09/02/399120902.db2.gz GPDZCQOVHCHBLA-DAXOMENPSA-N 2 1 303.406 2.646 20 5 DFBDMP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601125161 399234011 /nfs/dbraw/zinc/23/40/11/399234011.db2.gz NDNPLXFCTJTCTR-ZDUSSCGKSA-N 2 1 314.389 2.921 20 5 DFBDMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601125161 399234013 /nfs/dbraw/zinc/23/40/13/399234013.db2.gz NDNPLXFCTJTCTR-ZDUSSCGKSA-N 2 1 314.389 2.921 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422709111 296319671 /nfs/dbraw/zinc/31/96/71/296319671.db2.gz CSYUJZQXBPJJIZ-BZUAXINKSA-N 2 1 319.405 2.614 20 5 DFBDMP CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000423045519 296371318 /nfs/dbraw/zinc/37/13/18/296371318.db2.gz SLESRDYWNDUMPG-KGLIPLIRSA-N 2 1 311.813 2.911 20 5 DFBDMP Cc1c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423077012 296375712 /nfs/dbraw/zinc/37/57/12/296375712.db2.gz LBEJMFMOMQXFOR-PBHICJAKSA-N 2 1 313.401 2.951 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000423386733 296411478 /nfs/dbraw/zinc/41/14/78/296411478.db2.gz RNMLFFMWKMXINP-MBNYWOFBSA-N 2 1 307.394 2.785 20 5 DFBDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000371480706 150054129 /nfs/dbraw/zinc/05/41/29/150054129.db2.gz QEHMRZLUCUGPEN-GXTWGEPZSA-N 2 1 300.362 2.765 20 5 DFBDMP C[NH+](C)[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000166202677 426126295 /nfs/dbraw/zinc/12/62/95/426126295.db2.gz NMUSPTZZFPCPKA-SJLPKXTDSA-N 2 1 317.433 2.846 20 5 DFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000175732043 426323873 /nfs/dbraw/zinc/32/38/73/426323873.db2.gz BONXCMPVWRVVLF-UKRRQHHQSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000175732043 426323876 /nfs/dbraw/zinc/32/38/76/426323876.db2.gz BONXCMPVWRVVLF-UKRRQHHQSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000175732043 426323878 /nfs/dbraw/zinc/32/38/78/426323878.db2.gz BONXCMPVWRVVLF-UKRRQHHQSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000175732043 426323880 /nfs/dbraw/zinc/32/38/80/426323880.db2.gz BONXCMPVWRVVLF-UKRRQHHQSA-N 2 1 321.421 2.766 20 5 DFBDMP C[C@H]1C[C@@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123750054 426451964 /nfs/dbraw/zinc/45/19/64/426451964.db2.gz TUXZYRFDXNMHPV-HOCLYGCPSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@H]1C[C@@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123750054 426451968 /nfs/dbraw/zinc/45/19/68/426451968.db2.gz TUXZYRFDXNMHPV-HOCLYGCPSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@H]1C[C@@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123750054 426451972 /nfs/dbraw/zinc/45/19/72/426451972.db2.gz TUXZYRFDXNMHPV-HOCLYGCPSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@H]1C[C@@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123750054 426451975 /nfs/dbraw/zinc/45/19/75/426451975.db2.gz TUXZYRFDXNMHPV-HOCLYGCPSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@H]1C[C@@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123750054 426451980 /nfs/dbraw/zinc/45/19/80/426451980.db2.gz TUXZYRFDXNMHPV-HOCLYGCPSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272841677 426574676 /nfs/dbraw/zinc/57/46/76/426574676.db2.gz NANONRQEVFXDBD-UHFFFAOYSA-N 2 1 314.389 2.983 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230047929 426642076 /nfs/dbraw/zinc/64/20/76/426642076.db2.gz KJGOEBUYFNJRAM-DDTOSNHZSA-N 2 1 309.797 2.807 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230047929 426642080 /nfs/dbraw/zinc/64/20/80/426642080.db2.gz KJGOEBUYFNJRAM-DDTOSNHZSA-N 2 1 309.797 2.807 20 5 DFBDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270445577 271294003 /nfs/dbraw/zinc/29/40/03/271294003.db2.gz KGJOTWSXOLQRDB-MRXNPFEDSA-N 2 1 303.406 2.759 20 5 DFBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285519096 427259567 /nfs/dbraw/zinc/25/95/67/427259567.db2.gz ODJWYTCERQCZNC-SJPCQFCGSA-N 2 1 303.406 2.694 20 5 DFBDMP C[NH+](CCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285519096 427259573 /nfs/dbraw/zinc/25/95/73/427259573.db2.gz ODJWYTCERQCZNC-SJPCQFCGSA-N 2 1 303.406 2.694 20 5 DFBDMP C[NH+](CCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285519096 427259580 /nfs/dbraw/zinc/25/95/80/427259580.db2.gz ODJWYTCERQCZNC-SJPCQFCGSA-N 2 1 303.406 2.694 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000344755484 272365338 /nfs/dbraw/zinc/36/53/38/272365338.db2.gz CSINIQGIRULILH-UVTDQMKNSA-N 2 1 301.390 2.850 20 5 DFBDMP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377683475 428193147 /nfs/dbraw/zinc/19/31/47/428193147.db2.gz ZKZVBVKEHUZUGX-HNNXBMFYSA-N 2 1 314.389 2.528 20 5 DFBDMP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377683475 428193150 /nfs/dbraw/zinc/19/31/50/428193150.db2.gz ZKZVBVKEHUZUGX-HNNXBMFYSA-N 2 1 314.389 2.528 20 5 DFBDMP Cc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000377862864 428250568 /nfs/dbraw/zinc/25/05/68/428250568.db2.gz ZVIWWXZBXSUFEU-OAHLLOKOSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000377862864 428250572 /nfs/dbraw/zinc/25/05/72/428250572.db2.gz ZVIWWXZBXSUFEU-OAHLLOKOSA-N 2 1 314.389 2.794 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000346825546 428334397 /nfs/dbraw/zinc/33/43/97/428334397.db2.gz QJUABCCRYJRFNR-UENUHNEHSA-N 2 1 301.390 2.667 20 5 DFBDMP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414874896 428441853 /nfs/dbraw/zinc/44/18/53/428441853.db2.gz SZPUVSKPKNZGJD-GDBMZVCRSA-N 2 1 305.422 2.895 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354224603 428924883 /nfs/dbraw/zinc/92/48/83/428924883.db2.gz NYSVMDKJYQMKGT-RHSMWYFYSA-N 2 1 305.422 2.942 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354224603 428924891 /nfs/dbraw/zinc/92/48/91/428924891.db2.gz NYSVMDKJYQMKGT-RHSMWYFYSA-N 2 1 305.422 2.942 20 5 DFBDMP Cc1c(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363662732 428963079 /nfs/dbraw/zinc/96/30/79/428963079.db2.gz WVRORDARPXSYLY-RYRKJORJSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363662732 428963081 /nfs/dbraw/zinc/96/30/81/428963081.db2.gz WVRORDARPXSYLY-RYRKJORJSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363662732 428963085 /nfs/dbraw/zinc/96/30/85/428963085.db2.gz WVRORDARPXSYLY-RYRKJORJSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363662732 428963089 /nfs/dbraw/zinc/96/30/89/428963089.db2.gz WVRORDARPXSYLY-RYRKJORJSA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363662732 428963091 /nfs/dbraw/zinc/96/30/91/428963091.db2.gz WVRORDARPXSYLY-RYRKJORJSA-N 2 1 315.417 2.819 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000376120221 429061498 /nfs/dbraw/zinc/06/14/98/429061498.db2.gz YDCFYBYPACQPFC-KQIUPUNMSA-N 2 1 312.373 2.657 20 5 DFBDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352728 429071927 /nfs/dbraw/zinc/07/19/27/429071927.db2.gz AKCZCIQGTRNSBJ-WTTBNOFXSA-N 2 1 317.433 2.894 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423398967 429081854 /nfs/dbraw/zinc/08/18/54/429081854.db2.gz VRVSGAXZLQAZMO-BBRMVZONSA-N 2 1 305.422 2.894 20 5 DFBDMP C[C@@H]1C[N@H+]([C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@]1(C)C[NH3+] ZINC000423503457 429100477 /nfs/dbraw/zinc/10/04/77/429100477.db2.gz DVHNBMJGWSNMGQ-JEBQAFNWSA-N 2 1 317.433 2.833 20 5 DFBDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449091527 297403626 /nfs/dbraw/zinc/40/36/26/297403626.db2.gz QBWWENYQUHEHLZ-CYBMUJFWSA-N 2 1 302.378 2.711 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000530407255 301046210 /nfs/dbraw/zinc/04/62/10/301046210.db2.gz IKWYNSRDDWJYOF-LBPRGKRZSA-N 2 1 318.377 2.620 20 5 DFBDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000564039540 302114882 /nfs/dbraw/zinc/11/48/82/302114882.db2.gz LZDUVIWXPZYEFL-MRXNPFEDSA-N 2 1 300.362 2.538 20 5 DFBDMP Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000596361446 398394725 /nfs/dbraw/zinc/39/47/25/398394725.db2.gz STVNVGHNXXLAFZ-AWEZNQCLSA-N 2 1 308.426 2.587 20 5 DFBDMP Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000596361446 398394730 /nfs/dbraw/zinc/39/47/30/398394730.db2.gz STVNVGHNXXLAFZ-AWEZNQCLSA-N 2 1 308.426 2.587 20 5 DFBDMP Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596359333 398394978 /nfs/dbraw/zinc/39/49/78/398394978.db2.gz AMVAECSSVFFUFC-AWEZNQCLSA-N 2 1 308.426 2.587 20 5 DFBDMP Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596359333 398394982 /nfs/dbraw/zinc/39/49/82/398394982.db2.gz AMVAECSSVFFUFC-AWEZNQCLSA-N 2 1 308.426 2.587 20 5 DFBDMP Cc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1[N+](=O)[O-] ZINC000593317953 398597736 /nfs/dbraw/zinc/59/77/36/398597736.db2.gz LJTGBOWYXKSFJA-UHFFFAOYSA-N 2 1 303.337 2.791 20 5 DFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000414917685 295834708 /nfs/dbraw/zinc/83/47/08/295834708.db2.gz SFYATYMYEXSNCU-GFCCVEGCSA-N 2 1 301.346 2.554 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173873136 198263256 /nfs/dbraw/zinc/26/32/56/198263256.db2.gz OVFQVIAZKLULAG-QGZVFWFLSA-N 2 1 317.433 2.945 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173873136 198263257 /nfs/dbraw/zinc/26/32/57/198263257.db2.gz OVFQVIAZKLULAG-QGZVFWFLSA-N 2 1 317.433 2.945 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000594736025 398852819 /nfs/dbraw/zinc/85/28/19/398852819.db2.gz NPHXXAFNFKGUBG-AWEZNQCLSA-N 2 1 321.396 2.946 20 5 DFBDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343942 398925188 /nfs/dbraw/zinc/92/51/88/398925188.db2.gz ILHKNHMGNDZQIM-ZDUSSCGKSA-N 2 1 309.385 2.898 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000618197188 399041577 /nfs/dbraw/zinc/04/15/77/399041577.db2.gz YDCFYBYPACQPFC-PKXJPQMGSA-N 2 1 312.373 2.657 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000600712778 399120803 /nfs/dbraw/zinc/12/08/03/399120803.db2.gz YPQCHKKIJYEFAP-WBVHZDCISA-N 2 1 315.417 2.790 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338954 296177406 /nfs/dbraw/zinc/17/74/06/296177406.db2.gz YKWUYCSHRSJLMU-QWHCGFSZSA-N 2 1 307.369 2.555 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000420356750 296179084 /nfs/dbraw/zinc/17/90/84/296179084.db2.gz GXOIUIUCUCNRMI-AWEZNQCLSA-N 2 1 303.406 2.949 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420395634 296185537 /nfs/dbraw/zinc/18/55/37/296185537.db2.gz LMFFHXIKJIJPQY-DOTOQJQBSA-N 2 1 303.406 2.601 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000615720671 399377515 /nfs/dbraw/zinc/37/75/15/399377515.db2.gz LFLPTCUSLBXMJE-GLNPCMGASA-N 2 1 312.373 2.799 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000615720669 399377559 /nfs/dbraw/zinc/37/75/59/399377559.db2.gz LFLPTCUSLBXMJE-BMQCOBNYSA-N 2 1 312.373 2.799 20 5 DFBDMP C[NH+]1CCC([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000611140138 399438156 /nfs/dbraw/zinc/43/81/56/399438156.db2.gz NIUSZXNNRGOWBP-QGZVFWFLSA-N 2 1 317.433 2.801 20 5 DFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602511814 399465009 /nfs/dbraw/zinc/46/50/09/399465009.db2.gz UHVYLNCBEQEUNB-ZDUSSCGKSA-N 2 1 302.378 2.568 20 5 DFBDMP CC[N@H+]1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611930159 399545849 /nfs/dbraw/zinc/54/58/49/399545849.db2.gz WWRVJUZEPLGYQK-PIGZYNQJSA-N 2 1 314.389 2.625 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000423386735 296411486 /nfs/dbraw/zinc/41/14/86/296411486.db2.gz RNMLFFMWKMXINP-SGMGOOAPSA-N 2 1 307.394 2.785 20 5 DFBDMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000602876119 399612235 /nfs/dbraw/zinc/61/22/35/399612235.db2.gz DUXQUMLVFDBDNS-UHFFFAOYSA-N 2 1 307.369 2.652 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245436228 146071228 /nfs/dbraw/zinc/07/12/28/146071228.db2.gz QXFMOXSHNXMBGY-YOEHRIQHSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245436228 146071229 /nfs/dbraw/zinc/07/12/29/146071229.db2.gz QXFMOXSHNXMBGY-YOEHRIQHSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245436228 146071230 /nfs/dbraw/zinc/07/12/30/146071230.db2.gz QXFMOXSHNXMBGY-YOEHRIQHSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246416371 146137970 /nfs/dbraw/zinc/13/79/70/146137970.db2.gz BONXCMPVWRVVLF-ZFWWWQNUSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246416371 146137971 /nfs/dbraw/zinc/13/79/71/146137971.db2.gz BONXCMPVWRVVLF-ZFWWWQNUSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246416371 146137972 /nfs/dbraw/zinc/13/79/72/146137972.db2.gz BONXCMPVWRVVLF-ZFWWWQNUSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246416371 146137973 /nfs/dbraw/zinc/13/79/73/146137973.db2.gz BONXCMPVWRVVLF-ZFWWWQNUSA-N 2 1 321.421 2.766 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000261953959 146308315 /nfs/dbraw/zinc/30/83/15/146308315.db2.gz GJXPSQZPBLGHQX-UHFFFAOYSA-N 2 1 309.797 2.824 20 5 DFBDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000131438124 196168347 /nfs/dbraw/zinc/16/83/47/196168347.db2.gz MJZIYCFHCQCEHD-GASCZTMLSA-N 2 1 321.421 2.574 20 5 DFBDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159193942 425956126 /nfs/dbraw/zinc/95/61/26/425956126.db2.gz XHUOKXGOHYDUKR-AWEZNQCLSA-N 2 1 321.421 2.746 20 5 DFBDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000125219129 425960380 /nfs/dbraw/zinc/96/03/80/425960380.db2.gz QIVRASOXZIGNKF-UHFFFAOYSA-N 2 1 314.389 2.938 20 5 DFBDMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000125219129 425960384 /nfs/dbraw/zinc/96/03/84/425960384.db2.gz QIVRASOXZIGNKF-UHFFFAOYSA-N 2 1 314.389 2.938 20 5 DFBDMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290504415 426778630 /nfs/dbraw/zinc/77/86/30/426778630.db2.gz PHATXFWXXSKABE-HUUCEWRRSA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290504415 426778634 /nfs/dbraw/zinc/77/86/34/426778634.db2.gz PHATXFWXXSKABE-HUUCEWRRSA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290504415 426778637 /nfs/dbraw/zinc/77/86/37/426778637.db2.gz PHATXFWXXSKABE-HUUCEWRRSA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290504415 426778644 /nfs/dbraw/zinc/77/86/44/426778644.db2.gz PHATXFWXXSKABE-HUUCEWRRSA-N 2 1 319.405 2.520 20 5 DFBDMP Cc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290600952 426803883 /nfs/dbraw/zinc/80/38/83/426803883.db2.gz VWSADGQBQJNFQS-HOTGVXAUSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290600952 426803885 /nfs/dbraw/zinc/80/38/85/426803885.db2.gz VWSADGQBQJNFQS-HOTGVXAUSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290600952 426803888 /nfs/dbraw/zinc/80/38/88/426803888.db2.gz VWSADGQBQJNFQS-HOTGVXAUSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290600952 426803891 /nfs/dbraw/zinc/80/38/91/426803891.db2.gz VWSADGQBQJNFQS-HOTGVXAUSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290600952 426803892 /nfs/dbraw/zinc/80/38/92/426803892.db2.gz VWSADGQBQJNFQS-HOTGVXAUSA-N 2 1 303.406 2.819 20 5 DFBDMP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC[NH+]1C ZINC000338354730 427272436 /nfs/dbraw/zinc/27/24/36/427272436.db2.gz JGOKMHHQXKSVMD-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC[NH+]1C ZINC000338354730 427272445 /nfs/dbraw/zinc/27/24/45/427272445.db2.gz JGOKMHHQXKSVMD-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000338354730 427272451 /nfs/dbraw/zinc/27/24/51/427272451.db2.gz JGOKMHHQXKSVMD-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC[N@H+]1C ZINC000338354730 427272459 /nfs/dbraw/zinc/27/24/59/427272459.db2.gz JGOKMHHQXKSVMD-INIZCTEOSA-N 2 1 305.422 2.944 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000369600768 428011750 /nfs/dbraw/zinc/01/17/50/428011750.db2.gz VKKVGRFUAWAURZ-KBAYOESNSA-N 2 1 315.417 2.553 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000369600768 428011758 /nfs/dbraw/zinc/01/17/58/428011758.db2.gz VKKVGRFUAWAURZ-KBAYOESNSA-N 2 1 315.417 2.553 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000369600768 428011762 /nfs/dbraw/zinc/01/17/62/428011762.db2.gz VKKVGRFUAWAURZ-KBAYOESNSA-N 2 1 315.417 2.553 20 5 DFBDMP Cc1c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000360013377 428117959 /nfs/dbraw/zinc/11/79/59/428117959.db2.gz GDCZWDILOGAYON-CHWSQXEVSA-N 2 1 300.362 2.765 20 5 DFBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[NH+]1C ZINC000352543870 428144027 /nfs/dbraw/zinc/14/40/27/428144027.db2.gz KVDQARBZBSGBID-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[NH+]1C ZINC000352543870 428144030 /nfs/dbraw/zinc/14/40/30/428144030.db2.gz KVDQARBZBSGBID-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@@H+]1C ZINC000352543870 428144032 /nfs/dbraw/zinc/14/40/32/428144032.db2.gz KVDQARBZBSGBID-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[NH+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@H+]1C ZINC000352543870 428144035 /nfs/dbraw/zinc/14/40/35/428144035.db2.gz KVDQARBZBSGBID-MRXNPFEDSA-N 2 1 305.422 2.944 20 5 DFBDMP C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377677429 428189503 /nfs/dbraw/zinc/18/95/03/428189503.db2.gz MYNSDUGAGRJKCU-ZDUSSCGKSA-N 2 1 318.352 2.625 20 5 DFBDMP C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377677429 428189510 /nfs/dbraw/zinc/18/95/10/428189510.db2.gz MYNSDUGAGRJKCU-ZDUSSCGKSA-N 2 1 318.352 2.625 20 5 DFBDMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000352780057 428244053 /nfs/dbraw/zinc/24/40/53/428244053.db2.gz RJSGANHNPVBRDG-UHFFFAOYSA-N 2 1 318.377 2.630 20 5 DFBDMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000352780057 428244060 /nfs/dbraw/zinc/24/40/60/428244060.db2.gz RJSGANHNPVBRDG-UHFFFAOYSA-N 2 1 318.377 2.630 20 5 DFBDMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414785412 428407851 /nfs/dbraw/zinc/40/78/51/428407851.db2.gz SPFPCTUYYSCQCM-HZPDHXFCSA-N 2 1 303.406 2.725 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785558 428408059 /nfs/dbraw/zinc/40/80/59/428408059.db2.gz SVEFMANMPCTBDL-LUACWQNHSA-N 2 1 315.417 2.930 20 5 DFBDMP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414874898 428440799 /nfs/dbraw/zinc/44/07/99/428440799.db2.gz SZPUVSKPKNZGJD-GOEBONIOSA-N 2 1 305.422 2.895 20 5 DFBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347113912 428451784 /nfs/dbraw/zinc/45/17/84/428451784.db2.gz SNYJOYJOZUHUII-HYDLACBMSA-N 2 1 301.390 2.823 20 5 DFBDMP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347113912 428451791 /nfs/dbraw/zinc/45/17/91/428451791.db2.gz SNYJOYJOZUHUII-HYDLACBMSA-N 2 1 301.390 2.823 20 5 DFBDMP Cc1c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000353689048 428660045 /nfs/dbraw/zinc/66/00/45/428660045.db2.gz PQJVKDPVNJGWDS-UXLLHSPISA-N 2 1 303.406 2.866 20 5 DFBDMP CC[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423475885 429093764 /nfs/dbraw/zinc/09/37/64/429093764.db2.gz KSBCKXQRURCWTM-GXTWGEPZSA-N 2 1 313.348 2.880 20 5 DFBDMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430207409 429663360 /nfs/dbraw/zinc/66/33/60/429663360.db2.gz ZNBAYUPNZGYNQY-XJKSGUPXSA-N 2 1 321.421 2.766 20 5 DFBDMP CC(C)[N@H+](C)CC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000549806008 430532525 /nfs/dbraw/zinc/53/25/25/430532525.db2.gz BRRQBAPRTFKNMX-UHFFFAOYSA-N 2 1 321.421 2.853 20 5 DFBDMP CC(C)[N@@H+](C)CC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000549806008 430532530 /nfs/dbraw/zinc/53/25/30/430532530.db2.gz BRRQBAPRTFKNMX-UHFFFAOYSA-N 2 1 321.421 2.853 20 5 DFBDMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275513139 278355266 /nfs/dbraw/zinc/35/52/66/278355266.db2.gz KNHVLVRLMHGAFW-CHWSQXEVSA-N 2 1 300.362 2.705 20 5 DFBDMP CCOc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153697075 289056155 /nfs/dbraw/zinc/05/61/55/289056155.db2.gz QVRKODYGVFRXGD-UONOGXRCSA-N 2 1 321.421 2.986 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153697075 289056162 /nfs/dbraw/zinc/05/61/62/289056162.db2.gz QVRKODYGVFRXGD-UONOGXRCSA-N 2 1 321.421 2.986 20 5 DFBDMP Cc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596361529 398394703 /nfs/dbraw/zinc/39/47/03/398394703.db2.gz UYEGUYJEESDZCQ-AWEZNQCLSA-N 2 1 308.426 2.587 20 5 DFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433756 398425583 /nfs/dbraw/zinc/42/55/83/398425583.db2.gz SUHXSQXWYQXFOC-CVEARBPZSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492599 398433776 /nfs/dbraw/zinc/43/37/76/398433776.db2.gz BMVWNVSTESFSOQ-KBPBESRZSA-N 2 1 321.396 2.946 20 5 DFBDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000272634426 210038706 /nfs/dbraw/zinc/03/87/06/210038706.db2.gz NPDNTECENRAJKW-RISCZKNCSA-N 2 1 311.813 2.863 20 5 DFBDMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414848344 295825715 /nfs/dbraw/zinc/82/57/15/295825715.db2.gz WRSLVJZEKQTMHN-LBPRGKRZSA-N 2 1 303.362 2.800 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000595006033 398890390 /nfs/dbraw/zinc/89/03/90/398890390.db2.gz FFZYEBBRDATMTO-CHWSQXEVSA-N 2 1 319.405 2.738 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000595006033 398890391 /nfs/dbraw/zinc/89/03/91/398890391.db2.gz FFZYEBBRDATMTO-CHWSQXEVSA-N 2 1 319.405 2.738 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000595027750 398894134 /nfs/dbraw/zinc/89/41/34/398894134.db2.gz SDUQNQABBZUPMH-GFCCVEGCSA-N 2 1 305.378 2.516 20 5 DFBDMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376284 398929436 /nfs/dbraw/zinc/92/94/36/398929436.db2.gz HFCYHWZSIJPROY-WFASDCNBSA-N 2 1 309.385 2.896 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000600712777 399120821 /nfs/dbraw/zinc/12/08/21/399120821.db2.gz YPQCHKKIJYEFAP-RDJZCZTQSA-N 2 1 315.417 2.790 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595904668 399129372 /nfs/dbraw/zinc/12/93/72/399129372.db2.gz KIKFOCOOLXEKOO-CZUORRHYSA-N 2 1 321.421 2.943 20 5 DFBDMP Cc1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420327979 296176044 /nfs/dbraw/zinc/17/60/44/296176044.db2.gz LZOMHTORAPAJTE-HOCLYGCPSA-N 2 1 303.406 2.725 20 5 DFBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344103 296178184 /nfs/dbraw/zinc/17/81/84/296178184.db2.gz SBTPPPUGXCLPCP-FVQBIDKESA-N 2 1 303.406 2.977 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346681 296178448 /nfs/dbraw/zinc/17/84/48/296178448.db2.gz XEKXOWZUOLRNGG-SOUVJXGZSA-N 2 1 303.406 2.896 20 5 DFBDMP C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000601129665 399235720 /nfs/dbraw/zinc/23/57/20/399235720.db2.gz WEOIOEHGZZUKGW-ZBEGNZNMSA-N 2 1 300.362 2.529 20 5 DFBDMP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601139687 399239548 /nfs/dbraw/zinc/23/95/48/399239548.db2.gz MFZPYWCJEFPIFK-LBPRGKRZSA-N 2 1 300.362 2.531 20 5 DFBDMP C[N@H+](CCCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000601173401 399247829 /nfs/dbraw/zinc/24/78/29/399247829.db2.gz ZZXTTZSVRGAJBO-UHFFFAOYSA-N 2 1 314.389 2.851 20 5 DFBDMP C[N@@H+](CCCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000601173401 399247831 /nfs/dbraw/zinc/24/78/31/399247831.db2.gz ZZXTTZSVRGAJBO-UHFFFAOYSA-N 2 1 314.389 2.851 20 5 DFBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000602022239 399386132 /nfs/dbraw/zinc/38/61/32/399386132.db2.gz SBUIBHINYGYJQP-QWHCGFSZSA-N 2 1 315.373 2.881 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422709110 296319793 /nfs/dbraw/zinc/31/97/93/296319793.db2.gz CSYUJZQXBPJJIZ-ARFHVFGLSA-N 2 1 319.405 2.614 20 5 DFBDMP CC[N@H+]1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611930157 399546075 /nfs/dbraw/zinc/54/60/75/399546075.db2.gz WWRVJUZEPLGYQK-DIFFPNOSSA-N 2 1 314.389 2.625 20 5 DFBDMP Cc1c(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423077015 296375594 /nfs/dbraw/zinc/37/55/94/296375594.db2.gz LBEJMFMOMQXFOR-YOEHRIQHSA-N 2 1 313.401 2.951 20 5 DFBDMP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000423082948 296376458 /nfs/dbraw/zinc/37/64/58/296376458.db2.gz FWYNJBLQHRNKDP-GXSJLCMTSA-N 2 1 317.311 2.701 20 5 DFBDMP Cc1c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000602877775 399612533 /nfs/dbraw/zinc/61/25/33/399612533.db2.gz QIOBCBNSAVEPBB-UHFFFAOYSA-N 2 1 303.406 2.821 20 5 DFBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293770887 543021110 /nfs/dbraw/zinc/02/11/10/543021110.db2.gz PNUYANNFSGJDTE-OLZOCXBDSA-N 2 1 306.410 2.560 20 5 DFBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371480945 150054111 /nfs/dbraw/zinc/05/41/11/150054111.db2.gz SCXISNWBTBETIX-ZFWWWQNUSA-N 2 1 314.389 2.717 20 5 DFBDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076002433 426093185 /nfs/dbraw/zinc/09/31/85/426093185.db2.gz UMNYYRLMUNILCU-MRXNPFEDSA-N 2 1 305.422 2.801 20 5 DFBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076002433 426093187 /nfs/dbraw/zinc/09/31/87/426093187.db2.gz UMNYYRLMUNILCU-MRXNPFEDSA-N 2 1 305.422 2.801 20 5 DFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000163222885 426093199 /nfs/dbraw/zinc/09/31/99/426093199.db2.gz VSSUVKVQQDCEPC-PBHICJAKSA-N 2 1 317.433 2.847 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095574 426220184 /nfs/dbraw/zinc/22/01/84/426220184.db2.gz QXFMOXSHNXMBGY-RHSMWYFYSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095574 426220187 /nfs/dbraw/zinc/22/01/87/426220187.db2.gz QXFMOXSHNXMBGY-RHSMWYFYSA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095574 426220190 /nfs/dbraw/zinc/22/01/90/426220190.db2.gz QXFMOXSHNXMBGY-RHSMWYFYSA-N 2 1 321.421 2.636 20 5 DFBDMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863624 427090168 /nfs/dbraw/zinc/09/01/68/427090168.db2.gz BPJMVUWRPHLQNM-ZDUSSCGKSA-N 2 1 306.410 2.704 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293836660 427457919 /nfs/dbraw/zinc/45/79/19/427457919.db2.gz WRXBYQGBMLZASN-QWHCGFSZSA-N 2 1 309.410 2.842 20 5 DFBDMP Cc1cc(N(C)CC[N@@H+](C)C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302235373 427852487 /nfs/dbraw/zinc/85/24/87/427852487.db2.gz FCQTYCGOSLEZEM-UHFFFAOYSA-N 2 1 314.389 2.982 20 5 DFBDMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682023 428372445 /nfs/dbraw/zinc/37/24/45/428372445.db2.gz XKCFXQMOXWDWIX-KGLIPLIRSA-N 2 1 303.406 2.947 20 5 DFBDMP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414874902 428442203 /nfs/dbraw/zinc/44/22/03/428442203.db2.gz SZPUVSKPKNZGJD-ZBFHGGJFSA-N 2 1 305.422 2.895 20 5 DFBDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347039531 428418286 /nfs/dbraw/zinc/41/82/86/428418286.db2.gz JOOXKEWNPAZYMH-ZDUSSCGKSA-N 2 1 315.373 2.896 20 5 DFBDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347039531 428418291 /nfs/dbraw/zinc/41/82/91/428418291.db2.gz JOOXKEWNPAZYMH-ZDUSSCGKSA-N 2 1 315.373 2.896 20 5 DFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)o1 ZINC000414821292 428425661 /nfs/dbraw/zinc/42/56/61/428425661.db2.gz AWVJBFSMETYTKR-CYBMUJFWSA-N 2 1 315.373 2.944 20 5 DFBDMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414965827 428475518 /nfs/dbraw/zinc/47/55/18/428475518.db2.gz WABVCPCULPDRRO-LRDDRELGSA-N 2 1 315.373 2.942 20 5 DFBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219754 428922914 /nfs/dbraw/zinc/92/29/14/428922914.db2.gz DGFHYXPPBFQXQR-CABCVRRESA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219754 428922917 /nfs/dbraw/zinc/92/29/17/428922917.db2.gz DGFHYXPPBFQXQR-CABCVRRESA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219754 428922923 /nfs/dbraw/zinc/92/29/23/428922923.db2.gz DGFHYXPPBFQXQR-CABCVRRESA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219754 428922929 /nfs/dbraw/zinc/92/29/29/428922929.db2.gz DGFHYXPPBFQXQR-CABCVRRESA-N 2 1 321.421 2.778 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000423566294 428971618 /nfs/dbraw/zinc/97/16/18/428971618.db2.gz TZBALXFGNKUSEM-LBPRGKRZSA-N 2 1 307.394 2.786 20 5 DFBDMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000424296824 429121466 /nfs/dbraw/zinc/12/14/66/429121466.db2.gz SIMIBVSDYLFVMS-ZDUSSCGKSA-N 2 1 319.405 2.567 20 5 DFBDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449319137 429385123 /nfs/dbraw/zinc/38/51/23/429385123.db2.gz ITJCZQYBJKJAFG-ZBFHGGJFSA-N 2 1 305.422 2.990 20 5 DFBDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449319137 429385128 /nfs/dbraw/zinc/38/51/28/429385128.db2.gz ITJCZQYBJKJAFG-ZBFHGGJFSA-N 2 1 305.422 2.990 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000530326485 430110516 /nfs/dbraw/zinc/11/05/16/430110516.db2.gz VSVLHDYVJZVELE-SCZPIIQISA-N 2 1 303.406 2.930 20 5 DFBDMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516088 430216541 /nfs/dbraw/zinc/21/65/41/430216541.db2.gz VPRBYZGIFIOTLB-CSVGXABCSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516088 430216543 /nfs/dbraw/zinc/21/65/43/430216543.db2.gz VPRBYZGIFIOTLB-CSVGXABCSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516088 430216548 /nfs/dbraw/zinc/21/65/48/430216548.db2.gz VPRBYZGIFIOTLB-CSVGXABCSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516088 430216551 /nfs/dbraw/zinc/21/65/51/430216551.db2.gz VPRBYZGIFIOTLB-CSVGXABCSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516088 430216555 /nfs/dbraw/zinc/21/65/55/430216555.db2.gz VPRBYZGIFIOTLB-CSVGXABCSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516088 430216557 /nfs/dbraw/zinc/21/65/57/430216557.db2.gz VPRBYZGIFIOTLB-CSVGXABCSA-N 2 1 303.406 2.880 20 5 DFBDMP COCC[N@@H+](C)CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000153758461 289058727 /nfs/dbraw/zinc/05/87/27/289058727.db2.gz PTEQQDPDZZIVEI-AWEZNQCLSA-N 2 1 309.410 2.522 20 5 DFBDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000153758461 289058732 /nfs/dbraw/zinc/05/87/32/289058732.db2.gz PTEQQDPDZZIVEI-AWEZNQCLSA-N 2 1 309.410 2.522 20 5 DFBDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000564039539 302115044 /nfs/dbraw/zinc/11/50/44/302115044.db2.gz LZDUVIWXPZYEFL-INIZCTEOSA-N 2 1 300.362 2.538 20 5 DFBDMP Cc1c(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000365997724 525701569 /nfs/dbraw/zinc/70/15/69/525701569.db2.gz CBBDMOASLPFQNW-AWEZNQCLSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1c(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000365997724 525701578 /nfs/dbraw/zinc/70/15/78/525701578.db2.gz CBBDMOASLPFQNW-AWEZNQCLSA-N 2 1 314.389 2.794 20 5 DFBDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000596424771 398408803 /nfs/dbraw/zinc/40/88/03/398408803.db2.gz LGQPAAQLTXADHV-UHFFFAOYSA-N 2 1 314.817 2.544 20 5 DFBDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000596424771 398408809 /nfs/dbraw/zinc/40/88/09/398408809.db2.gz LGQPAAQLTXADHV-UHFFFAOYSA-N 2 1 314.817 2.544 20 5 DFBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000592433731 398425095 /nfs/dbraw/zinc/42/50/95/398425095.db2.gz QGLRILFZHUCOCE-ZIAGYGMSSA-N 2 1 309.435 2.868 20 5 DFBDMP CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1C[NH+](C)C1 ZINC000597202775 398589059 /nfs/dbraw/zinc/58/90/59/398589059.db2.gz JDPGAELCVYKTDH-UHFFFAOYSA-N 2 1 315.373 2.848 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000595051261 398898385 /nfs/dbraw/zinc/89/83/85/398898385.db2.gz MRGKXBXCUVKCPO-KGLIPLIRSA-N 2 1 321.421 2.986 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000595051262 398898030 /nfs/dbraw/zinc/89/80/30/398898030.db2.gz MRGKXBXCUVKCPO-UONOGXRCSA-N 2 1 321.421 2.986 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000470214782 299293410 /nfs/dbraw/zinc/29/34/10/299293410.db2.gz HDAJPYZMSWWYJX-SCZPIIQISA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000470214782 299293414 /nfs/dbraw/zinc/29/34/14/299293414.db2.gz HDAJPYZMSWWYJX-SCZPIIQISA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000470214782 299293418 /nfs/dbraw/zinc/29/34/18/299293418.db2.gz HDAJPYZMSWWYJX-SCZPIIQISA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000470214781 299293597 /nfs/dbraw/zinc/29/35/97/299293597.db2.gz HDAJPYZMSWWYJX-MBSJSRAVSA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000470214781 299293600 /nfs/dbraw/zinc/29/36/00/299293600.db2.gz HDAJPYZMSWWYJX-MBSJSRAVSA-N 2 1 303.406 2.882 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000470214781 299293603 /nfs/dbraw/zinc/29/36/03/299293603.db2.gz HDAJPYZMSWWYJX-MBSJSRAVSA-N 2 1 303.406 2.882 20 5 DFBDMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccc2c1CC[NH2+]C2 ZINC000595889848 399123978 /nfs/dbraw/zinc/12/39/78/399123978.db2.gz CWJFMYDEVUNSQO-UHFFFAOYSA-N 2 1 311.385 2.873 20 5 DFBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccc2c1CC[NH2+]C2 ZINC000595889848 399123983 /nfs/dbraw/zinc/12/39/83/399123983.db2.gz CWJFMYDEVUNSQO-UHFFFAOYSA-N 2 1 311.385 2.873 20 5 DFBDMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595905941 399130933 /nfs/dbraw/zinc/13/09/33/399130933.db2.gz YRJMAUDQAZTPQH-UKRRQHHQSA-N 2 1 321.421 2.943 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338952 296177448 /nfs/dbraw/zinc/17/74/48/296177448.db2.gz YKWUYCSHRSJLMU-CHWSQXEVSA-N 2 1 307.369 2.555 20 5 DFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000601104797 399228129 /nfs/dbraw/zinc/22/81/29/399228129.db2.gz HELIQTWLBLNNLO-CHWSQXEVSA-N 2 1 312.373 2.604 20 5 DFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000601104797 399228132 /nfs/dbraw/zinc/22/81/32/399228132.db2.gz HELIQTWLBLNNLO-CHWSQXEVSA-N 2 1 312.373 2.604 20 5 DFBDMP C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000601117044 399232140 /nfs/dbraw/zinc/23/21/40/399232140.db2.gz WIKWQOLXVULXES-GFCCVEGCSA-N 2 1 314.389 2.707 20 5 DFBDMP C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1C ZINC000601136702 399238308 /nfs/dbraw/zinc/23/83/08/399238308.db2.gz JVHWKZMWGBQEMM-NEPJUHHUSA-N 2 1 300.362 2.672 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000615720670 399377607 /nfs/dbraw/zinc/37/76/07/399377607.db2.gz LFLPTCUSLBXMJE-CTXBLAANSA-N 2 1 312.373 2.799 20 5 DFBDMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347063403 285008781 /nfs/dbraw/zinc/00/87/81/285008781.db2.gz JHODNLIUHVKBOF-CYBMUJFWSA-N 2 1 315.373 2.896 20 5 DFBDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347063403 285008782 /nfs/dbraw/zinc/00/87/82/285008782.db2.gz JHODNLIUHVKBOF-CYBMUJFWSA-N 2 1 315.373 2.896 20 5 DFBDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347069111 285011039 /nfs/dbraw/zinc/01/10/39/285011039.db2.gz ODLDFAQHBJBUEC-LBPRGKRZSA-N 2 1 301.346 2.635 20 5 DFBDMP C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000423043960 296371372 /nfs/dbraw/zinc/37/13/72/296371372.db2.gz QFKBXRKRYDNOBZ-SMDDNHRTSA-N 2 1 311.813 2.911 20 5 DFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423232865 296395321 /nfs/dbraw/zinc/39/53/21/296395321.db2.gz IWQJOVULYSMCAN-OLZOCXBDSA-N 2 1 309.435 2.807 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000612578177 399680140 /nfs/dbraw/zinc/68/01/40/399680140.db2.gz ASKZBEPDHFXERE-MRXNPFEDSA-N 2 1 300.362 2.937 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245436227 146070543 /nfs/dbraw/zinc/07/05/43/146070543.db2.gz QXFMOXSHNXMBGY-WMLDXEAASA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245436227 146070547 /nfs/dbraw/zinc/07/05/47/146070547.db2.gz QXFMOXSHNXMBGY-WMLDXEAASA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245436227 146070550 /nfs/dbraw/zinc/07/05/50/146070550.db2.gz QXFMOXSHNXMBGY-WMLDXEAASA-N 2 1 321.421 2.636 20 5 DFBDMP CC[N@@H+](C)C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255575219 146233893 /nfs/dbraw/zinc/23/38/93/146233893.db2.gz OTSYCICUKFOTAZ-LYASGUKUSA-N 2 1 303.406 2.882 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371480944 150054579 /nfs/dbraw/zinc/05/45/79/150054579.db2.gz SCXISNWBTBETIX-UKRRQHHQSA-N 2 1 314.389 2.717 20 5 DFBDMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153758601 426404222 /nfs/dbraw/zinc/40/42/22/426404222.db2.gz HYXYEBKSEDHYSQ-CQSZACIVSA-N 2 1 309.410 2.522 20 5 DFBDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153758601 426404224 /nfs/dbraw/zinc/40/42/24/426404224.db2.gz HYXYEBKSEDHYSQ-CQSZACIVSA-N 2 1 309.410 2.522 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000183393970 427261721 /nfs/dbraw/zinc/26/17/21/427261721.db2.gz QUZXSVTZDUESDL-NVXWUHKLSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000183393970 427261725 /nfs/dbraw/zinc/26/17/25/427261725.db2.gz QUZXSVTZDUESDL-NVXWUHKLSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000183393970 427261731 /nfs/dbraw/zinc/26/17/31/427261731.db2.gz QUZXSVTZDUESDL-NVXWUHKLSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000183393970 427261733 /nfs/dbraw/zinc/26/17/33/427261733.db2.gz QUZXSVTZDUESDL-NVXWUHKLSA-N 2 1 303.406 2.819 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344737854 272363368 /nfs/dbraw/zinc/36/33/68/272363368.db2.gz CMEYOHCFYSUWGZ-IJEWVQPXSA-N 2 1 305.422 2.988 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344737854 272363371 /nfs/dbraw/zinc/36/33/71/272363371.db2.gz CMEYOHCFYSUWGZ-IJEWVQPXSA-N 2 1 305.422 2.988 20 5 DFBDMP CC[N@H+]1CC[C@@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000344861883 272378456 /nfs/dbraw/zinc/37/84/56/272378456.db2.gz KGDJHJRVBUFCJC-IDJPSDCMSA-N 2 1 303.406 2.930 20 5 DFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000359455109 427859176 /nfs/dbraw/zinc/85/91/76/427859176.db2.gz CBWPHPOSNUHQFZ-OKILXGFUSA-N 2 1 313.357 2.506 20 5 DFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000359455109 427859183 /nfs/dbraw/zinc/85/91/83/427859183.db2.gz CBWPHPOSNUHQFZ-OKILXGFUSA-N 2 1 313.357 2.506 20 5 DFBDMP [NH3+]CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000303990311 427910373 /nfs/dbraw/zinc/91/03/73/427910373.db2.gz TZBFVQISRCNZBO-UHFFFAOYSA-N 2 1 313.401 2.988 20 5 DFBDMP C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC([NH3+])C1 ZINC000414776261 428403441 /nfs/dbraw/zinc/40/34/41/428403441.db2.gz NAYKYRJTRUACCO-UHFFFAOYSA-N 2 1 301.346 2.776 20 5 DFBDMP C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC([NH3+])C1 ZINC000414776261 428403448 /nfs/dbraw/zinc/40/34/48/428403448.db2.gz NAYKYRJTRUACCO-UHFFFAOYSA-N 2 1 301.346 2.776 20 5 DFBDMP Cc1c(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363662731 428961689 /nfs/dbraw/zinc/96/16/89/428961689.db2.gz WVRORDARPXSYLY-NUJGCVRESA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363662731 428961693 /nfs/dbraw/zinc/96/16/93/428961693.db2.gz WVRORDARPXSYLY-NUJGCVRESA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363662731 428961699 /nfs/dbraw/zinc/96/16/99/428961699.db2.gz WVRORDARPXSYLY-NUJGCVRESA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363662731 428961703 /nfs/dbraw/zinc/96/17/03/428961703.db2.gz WVRORDARPXSYLY-NUJGCVRESA-N 2 1 315.417 2.819 20 5 DFBDMP Cc1c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363662731 428961706 /nfs/dbraw/zinc/96/17/06/428961706.db2.gz WVRORDARPXSYLY-NUJGCVRESA-N 2 1 315.417 2.819 20 5 DFBDMP O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363661498 428962932 /nfs/dbraw/zinc/96/29/32/428962932.db2.gz RQAJLDAWTYIXLZ-UKPHBRMFSA-N 2 1 319.380 2.650 20 5 DFBDMP CCOc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423502989 429101620 /nfs/dbraw/zinc/10/16/20/429101620.db2.gz DKJJLKNRKJYXNX-IIYDPXPESA-N 2 1 321.421 2.971 20 5 DFBDMP CCOc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423502989 429101623 /nfs/dbraw/zinc/10/16/23/429101623.db2.gz DKJJLKNRKJYXNX-IIYDPXPESA-N 2 1 321.421 2.971 20 5 DFBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088991 429329062 /nfs/dbraw/zinc/32/90/62/429329062.db2.gz CNPOKXSJVLFWFE-CABCVRRESA-N 2 1 305.422 2.847 20 5 DFBDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892789 430566248 /nfs/dbraw/zinc/56/62/48/430566248.db2.gz QELPATOAAMMQGH-RDJZCZTQSA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892789 430566252 /nfs/dbraw/zinc/56/62/52/430566252.db2.gz QELPATOAAMMQGH-RDJZCZTQSA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892789 430566255 /nfs/dbraw/zinc/56/62/55/430566255.db2.gz QELPATOAAMMQGH-RDJZCZTQSA-N 2 1 303.406 2.553 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000515388403 300304299 /nfs/dbraw/zinc/30/42/99/300304299.db2.gz ATIKAWJITVONAJ-WBMJQRKESA-N 2 1 301.390 2.656 20 5 DFBDMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423670 302071206 /nfs/dbraw/zinc/07/12/06/302071206.db2.gz OGPHRKAZUYWFOE-CJNGLKHVSA-N 2 1 303.406 2.902 20 5 DFBDMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423670 302071209 /nfs/dbraw/zinc/07/12/09/302071209.db2.gz OGPHRKAZUYWFOE-CJNGLKHVSA-N 2 1 303.406 2.902 20 5 DFBDMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582646 302142907 /nfs/dbraw/zinc/14/29/07/302142907.db2.gz FJPWNCJLMAVNPZ-CJNGLKHVSA-N 2 1 303.406 2.904 20 5 DFBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582646 302142909 /nfs/dbraw/zinc/14/29/09/302142909.db2.gz FJPWNCJLMAVNPZ-CJNGLKHVSA-N 2 1 303.406 2.904 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449559599 317044739 /nfs/dbraw/zinc/04/47/39/317044739.db2.gz CBHYNDUJAXACPJ-OHRKKDJYSA-N 2 1 303.406 2.741 20 5 DFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH2+]CC3)o2)cc1 ZINC000414797539 501082498 /nfs/dbraw/zinc/08/24/98/501082498.db2.gz ZFLWSQHGNNSVLS-UHFFFAOYSA-N 2 1 301.346 2.696 20 5 DFBDMP Cc1c(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000365997727 525702301 /nfs/dbraw/zinc/70/23/01/525702301.db2.gz CBBDMOASLPFQNW-CQSZACIVSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1c(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000365997727 525702302 /nfs/dbraw/zinc/70/23/02/525702302.db2.gz CBBDMOASLPFQNW-CQSZACIVSA-N 2 1 314.389 2.794 20 5 DFBDMP CC(C)[NH+]1CCC([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299515974 528990326 /nfs/dbraw/zinc/99/03/26/528990326.db2.gz CUUWCABAPFTVGB-UHFFFAOYSA-N 2 1 305.422 2.942 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433822 398425705 /nfs/dbraw/zinc/42/57/05/398425705.db2.gz YIYVRVAIPGGXQP-CABCVRRESA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000314788972 398522118 /nfs/dbraw/zinc/52/21/18/398522118.db2.gz UZVGDYXXZKQXCD-RDJZCZTQSA-N 2 1 303.406 2.601 20 5 DFBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000594735677 398851843 /nfs/dbraw/zinc/85/18/43/398851843.db2.gz MYWJFOVZZUKDCZ-CQSZACIVSA-N 2 1 309.435 2.868 20 5 DFBDMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000595344410 398924736 /nfs/dbraw/zinc/92/47/36/398924736.db2.gz DQKTWLCGVAOKOV-IUODEOHRSA-N 2 1 307.369 2.650 20 5 DFBDMP C[N@@H+]1CC=C(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000271834775 209254708 /nfs/dbraw/zinc/25/47/08/209254708.db2.gz FNOBOIKEFWUCLG-KRWDZBQOSA-N 2 1 315.417 2.767 20 5 DFBDMP CCC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600709007 399120886 /nfs/dbraw/zinc/12/08/86/399120886.db2.gz MZXOVZQQPQATDV-HNNXBMFYSA-N 2 1 307.394 2.534 20 5 DFBDMP Cc1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413070 296188010 /nfs/dbraw/zinc/18/80/10/296188010.db2.gz ZNJWRHYAJJIUFT-RHSMWYFYSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413070 296188011 /nfs/dbraw/zinc/18/80/11/296188011.db2.gz ZNJWRHYAJJIUFT-RHSMWYFYSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000105443230 194104317 /nfs/dbraw/zinc/10/43/17/194104317.db2.gz XNMSPOJERYUKCP-GFCCVEGCSA-N 2 1 302.378 2.834 20 5 DFBDMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422561016 296312571 /nfs/dbraw/zinc/31/25/71/296312571.db2.gz IMMNHFOLKSOYPW-OZWKZDNASA-N 2 1 303.406 2.913 20 5 DFBDMP C[NH+]1CCC([C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000611140137 399438045 /nfs/dbraw/zinc/43/80/45/399438045.db2.gz NIUSZXNNRGOWBP-KRWDZBQOSA-N 2 1 317.433 2.801 20 5 DFBDMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000422951702 296360076 /nfs/dbraw/zinc/36/00/76/296360076.db2.gz ZVLFOENMUKZHSQ-NSHDSACASA-N 2 1 300.362 2.608 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000423211223 296392886 /nfs/dbraw/zinc/39/28/86/296392886.db2.gz ILDPGJDSGMDLSY-SQPSOYEMSA-N 2 1 319.405 2.927 20 5 DFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423232864 296395294 /nfs/dbraw/zinc/39/52/94/296395294.db2.gz IWQJOVULYSMCAN-CHWSQXEVSA-N 2 1 309.435 2.807 20 5 DFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423274432 296399550 /nfs/dbraw/zinc/39/95/50/296399550.db2.gz KLXKYQXMKLSDHK-OLZOCXBDSA-N 2 1 309.435 2.792 20 5 DFBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261873350 146293771 /nfs/dbraw/zinc/29/37/71/146293771.db2.gz XNYPNMOIQDSTMO-AEFFLSMTSA-N 2 1 311.385 2.769 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000262045960 146327181 /nfs/dbraw/zinc/32/71/81/146327181.db2.gz CJFQRIZKXLQOOH-BZUAXINKSA-N 2 1 303.406 2.995 20 5 DFBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000315194927 268342209 /nfs/dbraw/zinc/34/22/09/268342209.db2.gz LHKGQNQDLDKDOK-TXEJJXNPSA-N 2 1 309.797 2.680 20 5 DFBDMP C[C@H]1C[C@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000123749579 426451792 /nfs/dbraw/zinc/45/17/92/426451792.db2.gz TUXZYRFDXNMHPV-GOEBONIOSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@H]1C[C@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123749579 426451797 /nfs/dbraw/zinc/45/17/97/426451797.db2.gz TUXZYRFDXNMHPV-GOEBONIOSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@H]1C[C@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123749579 426451799 /nfs/dbraw/zinc/45/17/99/426451799.db2.gz TUXZYRFDXNMHPV-GOEBONIOSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@H]1C[C@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123749579 426451803 /nfs/dbraw/zinc/45/18/03/426451803.db2.gz TUXZYRFDXNMHPV-GOEBONIOSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@H]1C[C@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000123749579 426451804 /nfs/dbraw/zinc/45/18/04/426451804.db2.gz TUXZYRFDXNMHPV-GOEBONIOSA-N 2 1 321.421 2.778 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000290607320 426803110 /nfs/dbraw/zinc/80/31/10/426803110.db2.gz WHEJJFNEMHOEPP-NVXWUHKLSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000290607320 426803114 /nfs/dbraw/zinc/80/31/14/426803114.db2.gz WHEJJFNEMHOEPP-NVXWUHKLSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000290607320 426803117 /nfs/dbraw/zinc/80/31/17/426803117.db2.gz WHEJJFNEMHOEPP-NVXWUHKLSA-N 2 1 303.406 2.819 20 5 DFBDMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000268825077 427132155 /nfs/dbraw/zinc/13/21/55/427132155.db2.gz PDWMPYKSMQFXTC-INIZCTEOSA-N 2 1 309.410 2.604 20 5 DFBDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413015 427435416 /nfs/dbraw/zinc/43/54/16/427435416.db2.gz FODZQEXJDIPWCV-CABCVRRESA-N 2 1 321.421 2.746 20 5 DFBDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413015 427435422 /nfs/dbraw/zinc/43/54/22/427435422.db2.gz FODZQEXJDIPWCV-CABCVRRESA-N 2 1 321.421 2.746 20 5 DFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192692105 427589546 /nfs/dbraw/zinc/58/95/46/427589546.db2.gz DFYGCCKOQNNPCS-SUMWQHHRSA-N 2 1 303.406 2.904 20 5 DFBDMP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039516 428495935 /nfs/dbraw/zinc/49/59/35/428495935.db2.gz JAMCLUGNCKPPTP-HOTGVXAUSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039516 428495939 /nfs/dbraw/zinc/49/59/39/428495939.db2.gz JAMCLUGNCKPPTP-HOTGVXAUSA-N 2 1 303.406 2.867 20 5 DFBDMP CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224674 428925855 /nfs/dbraw/zinc/92/58/55/428925855.db2.gz ONELPOLZXUBGQD-LSDHHAIUSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224674 428925859 /nfs/dbraw/zinc/92/58/59/428925859.db2.gz ONELPOLZXUBGQD-LSDHHAIUSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224674 428925865 /nfs/dbraw/zinc/92/58/65/428925865.db2.gz ONELPOLZXUBGQD-LSDHHAIUSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224674 428925869 /nfs/dbraw/zinc/92/58/69/428925869.db2.gz ONELPOLZXUBGQD-LSDHHAIUSA-N 2 1 321.421 2.778 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375757896 428962819 /nfs/dbraw/zinc/96/28/19/428962819.db2.gz MXZSWNPEDMRRQQ-MZBDJJRSSA-N 2 1 319.405 2.660 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423383787 429079634 /nfs/dbraw/zinc/07/96/34/429079634.db2.gz FGCVLLZVHGDHBX-OBJOEFQTSA-N 2 1 307.394 2.642 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423398976 429081820 /nfs/dbraw/zinc/08/18/20/429081820.db2.gz VRVSGAXZLQAZMO-XJKSGUPXSA-N 2 1 305.422 2.894 20 5 DFBDMP C[N@@H+]1CCCC12CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000369382684 429933923 /nfs/dbraw/zinc/93/39/23/429933923.db2.gz DLRGLOWGMBCYCS-UHFFFAOYSA-N 2 1 303.406 2.698 20 5 DFBDMP C[N@H+]1CCCC12CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000369382684 429933926 /nfs/dbraw/zinc/93/39/26/429933926.db2.gz DLRGLOWGMBCYCS-UHFFFAOYSA-N 2 1 303.406 2.698 20 5 DFBDMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000549172392 430521111 /nfs/dbraw/zinc/52/11/11/430521111.db2.gz ZKCGTZJZKXZIFA-ZQMJAJRESA-N 2 1 303.406 2.928 20 5 DFBDMP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000516173860 300332781 /nfs/dbraw/zinc/33/27/81/300332781.db2.gz GGXVELKVLQCEHK-IRXDYDNUSA-N 2 1 313.357 2.708 20 5 DFBDMP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000516679277 300355499 /nfs/dbraw/zinc/35/54/99/300355499.db2.gz MMWIFGTVEVCRDS-OCCSQVGLSA-N 2 1 316.405 2.691 20 5 DFBDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000577816102 318218320 /nfs/dbraw/zinc/21/83/20/318218320.db2.gz BXHKZRHCGJBGJO-INIZCTEOSA-N 2 1 314.389 2.883 20 5 DFBDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000580293187 323365155 /nfs/dbraw/zinc/36/51/55/323365155.db2.gz JRWLKSSIRQKVFR-KRWDZBQOSA-N 2 1 314.389 2.928 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000245512071 535411282 /nfs/dbraw/zinc/41/12/82/535411282.db2.gz ZSVVRGVSHXLDNQ-KGLIPLIRSA-N 2 1 321.421 2.986 20 5 DFBDMP Cc1cccc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596361106 398394406 /nfs/dbraw/zinc/39/44/06/398394406.db2.gz IWPXYQWWICDSKA-AWEZNQCLSA-N 2 1 308.426 2.587 20 5 DFBDMP Cc1cccc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596361106 398394407 /nfs/dbraw/zinc/39/44/07/398394407.db2.gz IWPXYQWWICDSKA-AWEZNQCLSA-N 2 1 308.426 2.587 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433762 398425599 /nfs/dbraw/zinc/42/55/99/398425599.db2.gz TZZWBRDMZRVUKB-CVEARBPZSA-N 2 1 303.406 2.806 20 5 DFBDMP CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1C[NH+](C)C1 ZINC000597202490 398589569 /nfs/dbraw/zinc/58/95/69/398589569.db2.gz CSOYKUDIERBSDU-UHFFFAOYSA-N 2 1 315.373 2.848 20 5 DFBDMP CN1CC(C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597203050 398589591 /nfs/dbraw/zinc/58/95/91/398589591.db2.gz LTEMPDWRGRLRQD-UHFFFAOYSA-N 2 1 315.373 2.848 20 5 DFBDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000270453832 186393936 /nfs/dbraw/zinc/39/39/36/186393936.db2.gz LHKBCCGUELYLNV-HNNXBMFYSA-N 2 1 303.406 2.759 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459726717 299174201 /nfs/dbraw/zinc/17/42/01/299174201.db2.gz GQWXFVTXZQSHBC-CQSZACIVSA-N 2 1 321.421 2.815 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000591578040 398773240 /nfs/dbraw/zinc/77/32/40/398773240.db2.gz PAYLWBHBHNJPBI-CVEARBPZSA-N 2 1 303.406 2.648 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000594615325 398833791 /nfs/dbraw/zinc/83/37/91/398833791.db2.gz SLCKJVKZYHKSAM-DOMZBBRYSA-N 2 1 312.373 2.631 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(F)c1 ZINC000594736026 398852483 /nfs/dbraw/zinc/85/24/83/398852483.db2.gz NPHXXAFNFKGUBG-CQSZACIVSA-N 2 1 321.396 2.946 20 5 DFBDMP CC(C)[NH+]1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601100442 399226709 /nfs/dbraw/zinc/22/67/09/399226709.db2.gz KRFHBVBARLFLEA-UHFFFAOYSA-N 2 1 314.389 2.850 20 5 DFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000601104798 399228021 /nfs/dbraw/zinc/22/80/21/399228021.db2.gz HELIQTWLBLNNLO-OLZOCXBDSA-N 2 1 312.373 2.604 20 5 DFBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000601104798 399228016 /nfs/dbraw/zinc/22/80/16/399228016.db2.gz HELIQTWLBLNNLO-OLZOCXBDSA-N 2 1 312.373 2.604 20 5 DFBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C[NH3+] ZINC000602021631 399386313 /nfs/dbraw/zinc/38/63/13/399386313.db2.gz QTNQYQQWOOBGJG-GXTWGEPZSA-N 2 1 315.373 2.881 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000611471331 399479307 /nfs/dbraw/zinc/47/93/07/399479307.db2.gz SKHLJPGVZNFOMS-QWHCGFSZSA-N 2 1 300.362 2.765 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000602715042 399535256 /nfs/dbraw/zinc/53/52/56/399535256.db2.gz LXJKTJWGVQXKIS-KRWDZBQOSA-N 2 1 317.433 2.849 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423220056 296393633 /nfs/dbraw/zinc/39/36/33/296393633.db2.gz XVFXAKZJYDYSFF-CHWSQXEVSA-N 2 1 307.394 2.644 20 5 DFBDMP Cc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000247985024 158155424 /nfs/dbraw/zinc/15/54/24/158155424.db2.gz ITHCTBLYGZHUCR-DOTOQJQBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000247985024 158155426 /nfs/dbraw/zinc/15/54/26/158155426.db2.gz ITHCTBLYGZHUCR-DOTOQJQBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000247985024 158155429 /nfs/dbraw/zinc/15/54/29/158155429.db2.gz ITHCTBLYGZHUCR-DOTOQJQBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000247985024 158155430 /nfs/dbraw/zinc/15/54/30/158155430.db2.gz ITHCTBLYGZHUCR-DOTOQJQBSA-N 2 1 303.406 2.819 20 5 DFBDMP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860144 426087754 /nfs/dbraw/zinc/08/77/54/426087754.db2.gz VUAZYUOJRYGYNJ-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860144 426087757 /nfs/dbraw/zinc/08/77/57/426087757.db2.gz VUAZYUOJRYGYNJ-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860144 426087760 /nfs/dbraw/zinc/08/77/60/426087760.db2.gz VUAZYUOJRYGYNJ-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000075860144 426087761 /nfs/dbraw/zinc/08/77/61/426087761.db2.gz VUAZYUOJRYGYNJ-HNNXBMFYSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](C)[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000166202568 426125445 /nfs/dbraw/zinc/12/54/45/426125445.db2.gz NMUSPTZZFPCPKA-AEFFLSMTSA-N 2 1 317.433 2.846 20 5 DFBDMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153752851 426404278 /nfs/dbraw/zinc/40/42/78/426404278.db2.gz BBSNNQUEEIYLHQ-CQSZACIVSA-N 2 1 309.410 2.522 20 5 DFBDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153752851 426404282 /nfs/dbraw/zinc/40/42/82/426404282.db2.gz BBSNNQUEEIYLHQ-CQSZACIVSA-N 2 1 309.410 2.522 20 5 DFBDMP CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000153209585 426376614 /nfs/dbraw/zinc/37/66/14/426376614.db2.gz CZKSWXFZPYNAJW-JSGCOSHPSA-N 2 1 307.394 2.738 20 5 DFBDMP CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000153209585 426376616 /nfs/dbraw/zinc/37/66/16/426376616.db2.gz CZKSWXFZPYNAJW-JSGCOSHPSA-N 2 1 307.394 2.738 20 5 DFBDMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000178292297 426598979 /nfs/dbraw/zinc/59/89/79/426598979.db2.gz DZATXSBBHMTYEJ-MRXNPFEDSA-N 2 1 300.362 2.764 20 5 DFBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000228475070 426633772 /nfs/dbraw/zinc/63/37/72/426633772.db2.gz KJGOEBUYFNJRAM-ZLKJLUDKSA-N 2 1 309.797 2.807 20 5 DFBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000228475070 426633774 /nfs/dbraw/zinc/63/37/74/426633774.db2.gz KJGOEBUYFNJRAM-ZLKJLUDKSA-N 2 1 309.797 2.807 20 5 DFBDMP Cc1[nH+]ccn1CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000337951925 427057699 /nfs/dbraw/zinc/05/76/99/427057699.db2.gz OTPVZOYWLCRVFR-DAXSKMNVSA-N 2 1 300.362 2.793 20 5 DFBDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270535555 271304243 /nfs/dbraw/zinc/30/42/43/271304243.db2.gz WIURDVNADMFNAV-MRXNPFEDSA-N 2 1 303.406 2.759 20 5 DFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183428576 427266075 /nfs/dbraw/zinc/26/60/75/427266075.db2.gz YPSWWTMCVAXMBK-GFCCVEGCSA-N 2 1 302.378 2.834 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293836653 427456705 /nfs/dbraw/zinc/45/67/05/427456705.db2.gz WRXBYQGBMLZASN-CHWSQXEVSA-N 2 1 309.410 2.842 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293836656 427457441 /nfs/dbraw/zinc/45/74/41/427457441.db2.gz WRXBYQGBMLZASN-OLZOCXBDSA-N 2 1 309.410 2.842 20 5 DFBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353048604 428368697 /nfs/dbraw/zinc/36/86/97/428368697.db2.gz VJNITKNFMVXHTB-FZMZJTMJSA-N 2 1 311.813 2.721 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866140 428439660 /nfs/dbraw/zinc/43/96/60/428439660.db2.gz MFKVBBROYQHTQN-BPUTZDHNSA-N 2 1 303.406 2.648 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000414890202 428446082 /nfs/dbraw/zinc/44/60/82/428446082.db2.gz MFKVBBROYQHTQN-VNQPRFMTSA-N 2 1 303.406 2.648 20 5 DFBDMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414839735 428429191 /nfs/dbraw/zinc/42/91/91/428429191.db2.gz MOFITJIEHKHLKG-LBPRGKRZSA-N 2 1 303.362 2.800 20 5 DFBDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000353389819 428518140 /nfs/dbraw/zinc/51/81/40/428518140.db2.gz XIDMWOKZLDBQKX-RRFJBIMHSA-N 2 1 319.405 2.566 20 5 DFBDMP Cc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000364673783 429247420 /nfs/dbraw/zinc/24/74/20/429247420.db2.gz QBBSCLUBEPOSJP-HNNXBMFYSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000364673783 429247424 /nfs/dbraw/zinc/24/74/24/429247424.db2.gz QBBSCLUBEPOSJP-HNNXBMFYSA-N 2 1 314.389 2.794 20 5 DFBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000375999076 277036671 /nfs/dbraw/zinc/03/66/71/277036671.db2.gz IYFJWNKDJFZTEV-UHFFFAOYSA-N 2 1 303.406 2.903 20 5 DFBDMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000375852286 277171237 /nfs/dbraw/zinc/17/12/37/277171237.db2.gz NKAKOLDVMUNWQT-IKGGRYGDSA-N 2 1 303.406 2.600 20 5 DFBDMP CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153696982 289056350 /nfs/dbraw/zinc/05/63/50/289056350.db2.gz QVRKODYGVFRXGD-ZIAGYGMSSA-N 2 1 321.421 2.986 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153696982 289056352 /nfs/dbraw/zinc/05/63/52/289056352.db2.gz QVRKODYGVFRXGD-ZIAGYGMSSA-N 2 1 321.421 2.986 20 5 DFBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000580200918 318383328 /nfs/dbraw/zinc/38/33/28/318383328.db2.gz PUCXYKZKDGJFDN-UHFFFAOYSA-N 2 1 323.396 2.799 20 5 DFBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000580200918 318383330 /nfs/dbraw/zinc/38/33/30/318383330.db2.gz PUCXYKZKDGJFDN-UHFFFAOYSA-N 2 1 323.396 2.799 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433763 398425526 /nfs/dbraw/zinc/42/55/26/398425526.db2.gz TZZWBRDMZRVUKB-HOTGVXAUSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592494007 398433808 /nfs/dbraw/zinc/43/38/08/398433808.db2.gz YVUDDFKLNBMREP-IRXDYDNUSA-N 2 1 317.433 2.849 20 5 DFBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596653982 398472247 /nfs/dbraw/zinc/47/22/47/398472247.db2.gz MWUXHCZPKIOGGV-UYJPIKCFSA-N 2 1 321.446 2.807 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459731584 299175181 /nfs/dbraw/zinc/17/51/81/299175181.db2.gz FHLSIOWUXSFDJU-LSDHHAIUSA-N 2 1 305.422 2.847 20 5 DFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[NH2+]C3)o2)cc1 ZINC000414917687 295834786 /nfs/dbraw/zinc/83/47/86/295834786.db2.gz SFYATYMYEXSNCU-LBPRGKRZSA-N 2 1 301.346 2.554 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594495344 398809372 /nfs/dbraw/zinc/80/93/72/398809372.db2.gz VLMPTJPZFPITCA-WWGRRREGSA-N 2 1 301.390 2.799 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000594495344 398809375 /nfs/dbraw/zinc/80/93/75/398809375.db2.gz VLMPTJPZFPITCA-WWGRRREGSA-N 2 1 301.390 2.799 20 5 DFBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000594734916 398851818 /nfs/dbraw/zinc/85/18/18/398851818.db2.gz GSBLVYNDXWKZQG-AWEZNQCLSA-N 2 1 309.435 2.868 20 5 DFBDMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000595344412 398925224 /nfs/dbraw/zinc/92/52/24/398925224.db2.gz DQKTWLCGVAOKOV-WFASDCNBSA-N 2 1 307.369 2.650 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595389465 398930793 /nfs/dbraw/zinc/93/07/93/398930793.db2.gz OVCFREIDNRVUAN-UHFFFAOYSA-N 2 1 306.341 2.761 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595389465 398930798 /nfs/dbraw/zinc/93/07/98/398930798.db2.gz OVCFREIDNRVUAN-UHFFFAOYSA-N 2 1 306.341 2.761 20 5 DFBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000596059977 399158623 /nfs/dbraw/zinc/15/86/23/399158623.db2.gz WSAQMAMFTWTDMU-MRXNPFEDSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000596059977 399158627 /nfs/dbraw/zinc/15/86/27/399158627.db2.gz WSAQMAMFTWTDMU-MRXNPFEDSA-N 2 1 303.406 2.806 20 5 DFBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000105443231 194104231 /nfs/dbraw/zinc/10/42/31/194104231.db2.gz XNMSPOJERYUKCP-LBPRGKRZSA-N 2 1 302.378 2.834 20 5 DFBDMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284989330 218249246 /nfs/dbraw/zinc/24/92/46/218249246.db2.gz GKYSPTBFRVSBQN-LBPRGKRZSA-N 2 1 306.410 2.700 20 5 DFBDMP C[C@@H]1C[C@H](C)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422561015 296312703 /nfs/dbraw/zinc/31/27/03/296312703.db2.gz IMMNHFOLKSOYPW-OBKZQHTGSA-N 2 1 303.406 2.913 20 5 DFBDMP [NH3+]C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000346691289 284926878 /nfs/dbraw/zinc/92/68/78/284926878.db2.gz VPUPVIKRRBVDFX-UHFFFAOYSA-N 2 1 301.346 2.778 20 5 DFBDMP C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1c[nH+]ccc1N ZINC000423041567 296370941 /nfs/dbraw/zinc/37/09/41/296370941.db2.gz JMTIDUPWFSQIEP-SNVBAGLBSA-N 2 1 320.780 2.949 20 5 DFBDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293770895 543021680 /nfs/dbraw/zinc/02/16/80/543021680.db2.gz PNUYANNFSGJDTE-STQMWFEESA-N 2 1 306.410 2.560 20 5 DFBDMP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000359476321 148669846 /nfs/dbraw/zinc/66/98/46/148669846.db2.gz UHJXJJIQTKVELX-OKILXGFUSA-N 2 1 313.357 2.506 20 5 DFBDMP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000359476321 148669848 /nfs/dbraw/zinc/66/98/48/148669848.db2.gz UHJXJJIQTKVELX-OKILXGFUSA-N 2 1 313.357 2.506 20 5 DFBDMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000361766331 149212613 /nfs/dbraw/zinc/21/26/13/149212613.db2.gz RXKOVDSVWSRQQQ-COXVUDFISA-N 2 1 317.433 2.988 20 5 DFBDMP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@H+]1C ZINC000361766331 149212615 /nfs/dbraw/zinc/21/26/15/149212615.db2.gz RXKOVDSVWSRQQQ-COXVUDFISA-N 2 1 317.433 2.988 20 5 DFBDMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000361766332 149212937 /nfs/dbraw/zinc/21/29/37/149212937.db2.gz RXKOVDSVWSRQQQ-KBRIMQKVSA-N 2 1 317.433 2.988 20 5 DFBDMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@H+]1C ZINC000361766332 149212943 /nfs/dbraw/zinc/21/29/43/149212943.db2.gz RXKOVDSVWSRQQQ-KBRIMQKVSA-N 2 1 317.433 2.988 20 5 DFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351502302 286137715 /nfs/dbraw/zinc/13/77/15/286137715.db2.gz ZVJNFDPLHKCYEV-MAZHCROVSA-N 2 1 319.405 2.551 20 5 DFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351502302 286137717 /nfs/dbraw/zinc/13/77/17/286137717.db2.gz ZVJNFDPLHKCYEV-MAZHCROVSA-N 2 1 319.405 2.551 20 5 DFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351502303 286137721 /nfs/dbraw/zinc/13/77/21/286137721.db2.gz ZVJNFDPLHKCYEV-RCBQFDQVSA-N 2 1 319.405 2.551 20 5 DFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351502303 286137723 /nfs/dbraw/zinc/13/77/23/286137723.db2.gz ZVJNFDPLHKCYEV-RCBQFDQVSA-N 2 1 319.405 2.551 20 5 DFBDMP Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000371480708 150054295 /nfs/dbraw/zinc/05/42/95/150054295.db2.gz QEHMRZLUCUGPEN-OCCSQVGLSA-N 2 1 300.362 2.765 20 5 DFBDMP CC(C)[NH2+]C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108368675 426014498 /nfs/dbraw/zinc/01/44/98/426014498.db2.gz NWZHDEKDPXXXFV-UHFFFAOYSA-N 2 1 321.421 2.826 20 5 DFBDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284153536 427145781 /nfs/dbraw/zinc/14/57/81/427145781.db2.gz PJGODASRLUFYKL-GFCCVEGCSA-N 2 1 317.393 2.813 20 5 DFBDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270445576 271293572 /nfs/dbraw/zinc/29/35/72/271293572.db2.gz KGJOTWSXOLQRDB-INIZCTEOSA-N 2 1 303.406 2.759 20 5 DFBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293690079 427409237 /nfs/dbraw/zinc/40/92/37/427409237.db2.gz KWNSJVFSBREAOI-VXGBXAGGSA-N 2 1 317.393 2.669 20 5 DFBDMP CC[N@H+]1CC[C@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000344861888 272378589 /nfs/dbraw/zinc/37/85/89/272378589.db2.gz KGDJHJRVBUFCJC-SCZPIIQISA-N 2 1 303.406 2.930 20 5 DFBDMP COc1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000339432747 427773568 /nfs/dbraw/zinc/77/35/68/427773568.db2.gz LRLNMQFOIOWERP-QGZVFWFLSA-N 2 1 319.405 2.521 20 5 DFBDMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682027 428373517 /nfs/dbraw/zinc/37/35/17/428373517.db2.gz XKCFXQMOXWDWIX-ZIAGYGMSSA-N 2 1 303.406 2.947 20 5 DFBDMP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414874900 428441801 /nfs/dbraw/zinc/44/18/01/428441801.db2.gz SZPUVSKPKNZGJD-HOCLYGCPSA-N 2 1 305.422 2.895 20 5 DFBDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347046562 428422043 /nfs/dbraw/zinc/42/20/43/428422043.db2.gz ORCWZSPFLMMBOX-LBPRGKRZSA-N 2 1 301.346 2.635 20 5 DFBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000354106113 428866050 /nfs/dbraw/zinc/86/60/50/428866050.db2.gz HHHZYCOCBGEIGY-KRWDZBQOSA-N 2 1 321.421 2.528 20 5 DFBDMP CC[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423475892 429093839 /nfs/dbraw/zinc/09/38/39/429093839.db2.gz KSBCKXQRURCWTM-TZMCWYRMSA-N 2 1 313.348 2.880 20 5 DFBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000366955515 429548009 /nfs/dbraw/zinc/54/80/09/429548009.db2.gz RAWMJERJWJJJBY-UHFFFAOYSA-N 2 1 309.435 2.964 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367625176 429688896 /nfs/dbraw/zinc/68/88/96/429688896.db2.gz XDCZQXYRPQYVAC-XHSDSOJGSA-N 2 1 319.405 2.566 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367625176 429688902 /nfs/dbraw/zinc/68/89/02/429688902.db2.gz XDCZQXYRPQYVAC-XHSDSOJGSA-N 2 1 319.405 2.566 20 5 DFBDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582546264 430311032 /nfs/dbraw/zinc/31/10/32/430311032.db2.gz JUEOGOHRBBAXRN-GHMZBOCLSA-N 2 1 320.418 2.934 20 5 DFBDMP Cc1c(C[N@@H+]2CC[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000534580659 301234662 /nfs/dbraw/zinc/23/46/62/301234662.db2.gz LGQOUWYZZJRNQI-AWEZNQCLSA-N 2 1 300.362 2.626 20 5 DFBDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423672 302071295 /nfs/dbraw/zinc/07/12/95/302071295.db2.gz OGPHRKAZUYWFOE-XJKSGUPXSA-N 2 1 303.406 2.902 20 5 DFBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423672 302071297 /nfs/dbraw/zinc/07/12/97/302071297.db2.gz OGPHRKAZUYWFOE-XJKSGUPXSA-N 2 1 303.406 2.902 20 5 DFBDMP C[C@H]1CC2(C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F)CC[NH2+]CC2 ZINC000575244240 318072179 /nfs/dbraw/zinc/07/21/79/318072179.db2.gz QDQSIFDRHFTOAS-LBPRGKRZSA-N 2 1 307.369 2.698 20 5 DFBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)o2)cc1 ZINC000414832504 295823571 /nfs/dbraw/zinc/82/35/71/295823571.db2.gz QOUQDKLBUFGKPQ-ZDUSSCGKSA-N 2 1 315.373 2.944 20 5 DFBDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173374883 198207130 /nfs/dbraw/zinc/20/71/30/198207130.db2.gz YNLCRFJKBSLELQ-AWEZNQCLSA-N 2 1 321.421 2.746 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000595006035 398890094 /nfs/dbraw/zinc/89/00/94/398890094.db2.gz FFZYEBBRDATMTO-QWHCGFSZSA-N 2 1 319.405 2.738 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000595006035 398890096 /nfs/dbraw/zinc/89/00/96/398890096.db2.gz FFZYEBBRDATMTO-QWHCGFSZSA-N 2 1 319.405 2.738 20 5 DFBDMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000595344409 398924697 /nfs/dbraw/zinc/92/46/97/398924697.db2.gz DQKTWLCGVAOKOV-DOMZBBRYSA-N 2 1 307.369 2.650 20 5 DFBDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507778 398953074 /nfs/dbraw/zinc/95/30/74/398953074.db2.gz QPSXRWLDURWWIE-KRWDZBQOSA-N 2 1 303.406 2.555 20 5 DFBDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507778 398953076 /nfs/dbraw/zinc/95/30/76/398953076.db2.gz QPSXRWLDURWWIE-KRWDZBQOSA-N 2 1 303.406 2.555 20 5 DFBDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507778 398953077 /nfs/dbraw/zinc/95/30/77/398953077.db2.gz QPSXRWLDURWWIE-KRWDZBQOSA-N 2 1 303.406 2.555 20 5 DFBDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507778 398953079 /nfs/dbraw/zinc/95/30/79/398953079.db2.gz QPSXRWLDURWWIE-KRWDZBQOSA-N 2 1 303.406 2.555 20 5 DFBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346680 296178581 /nfs/dbraw/zinc/17/85/81/296178581.db2.gz XEKXOWZUOLRNGG-KFWWJZLASA-N 2 1 303.406 2.896 20 5 DFBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602545163 399472618 /nfs/dbraw/zinc/47/26/18/399472618.db2.gz NOINQXVATCKJDP-INIZCTEOSA-N 2 1 305.422 2.847 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000261985124 146315907 /nfs/dbraw/zinc/31/59/07/146315907.db2.gz RVOXEOANCDITHW-MBNYWOFBSA-N 2 1 309.797 2.807 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000261985124 146315909 /nfs/dbraw/zinc/31/59/09/146315909.db2.gz RVOXEOANCDITHW-MBNYWOFBSA-N 2 1 309.797 2.807 20 5 DFBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358520477 148382032 /nfs/dbraw/zinc/38/20/32/148382032.db2.gz VBBOVVITUJFUFU-UHFFFAOYSA-N 2 1 309.797 2.824 20 5 DFBDMP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000371480709 150053615 /nfs/dbraw/zinc/05/36/15/150053615.db2.gz QEHMRZLUCUGPEN-TZMCWYRMSA-N 2 1 300.362 2.765 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352511556 286393740 /nfs/dbraw/zinc/39/37/40/286393740.db2.gz SFUGXRYKOPAHGB-UHFFFAOYSA-N 2 1 321.421 2.944 20 5 DFBDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595591 426802015 /nfs/dbraw/zinc/80/20/15/426802015.db2.gz VPRBYZGIFIOTLB-YKNXIFKJSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595591 426802019 /nfs/dbraw/zinc/80/20/19/426802019.db2.gz VPRBYZGIFIOTLB-YKNXIFKJSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595591 426802021 /nfs/dbraw/zinc/80/20/21/426802021.db2.gz VPRBYZGIFIOTLB-YKNXIFKJSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595591 426802029 /nfs/dbraw/zinc/80/20/29/426802029.db2.gz VPRBYZGIFIOTLB-YKNXIFKJSA-N 2 1 303.406 2.880 20 5 DFBDMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000248178079 426986032 /nfs/dbraw/zinc/98/60/32/426986032.db2.gz VYVRQRHPWBHUCT-WMLDXEAASA-N 2 1 317.433 2.847 20 5 DFBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413018 427437533 /nfs/dbraw/zinc/43/75/33/427437533.db2.gz FODZQEXJDIPWCV-HUUCEWRRSA-N 2 1 321.421 2.746 20 5 DFBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413018 427437538 /nfs/dbraw/zinc/43/75/38/427437538.db2.gz FODZQEXJDIPWCV-HUUCEWRRSA-N 2 1 321.421 2.746 20 5 DFBDMP Cc1c([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000360013378 428117984 /nfs/dbraw/zinc/11/79/84/428117984.db2.gz GDCZWDILOGAYON-OLZOCXBDSA-N 2 1 300.362 2.765 20 5 DFBDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414785406 428406709 /nfs/dbraw/zinc/40/67/09/428406709.db2.gz SPFPCTUYYSCQCM-CVEARBPZSA-N 2 1 303.406 2.725 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788579 428411144 /nfs/dbraw/zinc/41/11/44/428411144.db2.gz XCNHPCFJYRCRQH-QWHCGFSZSA-N 2 1 307.369 2.555 20 5 DFBDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353048608 428368509 /nfs/dbraw/zinc/36/85/09/428368509.db2.gz VJNITKNFMVXHTB-SMDDNHRTSA-N 2 1 311.813 2.721 20 5 DFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000354106115 428865850 /nfs/dbraw/zinc/86/58/50/428865850.db2.gz HHHZYCOCBGEIGY-QGZVFWFLSA-N 2 1 321.421 2.528 20 5 DFBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203205 428914354 /nfs/dbraw/zinc/91/43/54/428914354.db2.gz ALQLZXFZAWHYLG-ZBFHGGJFSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203205 428914359 /nfs/dbraw/zinc/91/43/59/428914359.db2.gz ALQLZXFZAWHYLG-ZBFHGGJFSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203205 428914365 /nfs/dbraw/zinc/91/43/65/428914365.db2.gz ALQLZXFZAWHYLG-ZBFHGGJFSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203205 428914371 /nfs/dbraw/zinc/91/43/71/428914371.db2.gz ALQLZXFZAWHYLG-ZBFHGGJFSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000449077710 429326088 /nfs/dbraw/zinc/32/60/88/429326088.db2.gz SQGPRJCBRZJKSZ-ZIAGYGMSSA-N 2 1 303.406 2.600 20 5 DFBDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449088997 429329528 /nfs/dbraw/zinc/32/95/28/429329528.db2.gz CNPOKXSJVLFWFE-LSDHHAIUSA-N 2 1 305.422 2.847 20 5 DFBDMP CC[NH2+]CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000430599457 429700382 /nfs/dbraw/zinc/70/03/82/429700382.db2.gz QMXFMVNOISOFQX-UHFFFAOYSA-N 2 1 318.377 2.558 20 5 DFBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000583390803 430392702 /nfs/dbraw/zinc/39/27/02/430392702.db2.gz BEIDOYWOKQXEIH-INIZCTEOSA-N 2 1 301.390 2.799 20 5 DFBDMP COCC[N@@H+](C)CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000153758355 289058857 /nfs/dbraw/zinc/05/88/57/289058857.db2.gz PTEQQDPDZZIVEI-CQSZACIVSA-N 2 1 309.410 2.522 20 5 DFBDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000153758355 289058859 /nfs/dbraw/zinc/05/88/59/289058859.db2.gz PTEQQDPDZZIVEI-CQSZACIVSA-N 2 1 309.410 2.522 20 5 DFBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443069861 297214798 /nfs/dbraw/zinc/21/47/98/297214798.db2.gz KRDMSJRELQMEDF-AWEZNQCLSA-N 2 1 321.421 2.943 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433764 398425039 /nfs/dbraw/zinc/42/50/39/398425039.db2.gz TZZWBRDMZRVUKB-HZPDHXFCSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000592433637 398425205 /nfs/dbraw/zinc/42/52/05/398425205.db2.gz MXHOJXNIFCILRN-KGLIPLIRSA-N 2 1 321.396 2.946 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000591577312 398773206 /nfs/dbraw/zinc/77/32/06/398773206.db2.gz OUPVVBNTVHUDFE-CJNGLKHVSA-N 2 1 303.406 2.648 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000591668398 398779678 /nfs/dbraw/zinc/77/96/78/398779678.db2.gz DBJXXEDFHJELGQ-CQSZACIVSA-N 2 1 303.406 2.867 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000595006034 398890287 /nfs/dbraw/zinc/89/02/87/398890287.db2.gz FFZYEBBRDATMTO-OLZOCXBDSA-N 2 1 319.405 2.738 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000595006034 398890289 /nfs/dbraw/zinc/89/02/89/398890289.db2.gz FFZYEBBRDATMTO-OLZOCXBDSA-N 2 1 319.405 2.738 20 5 DFBDMP CCCC[N@H+](C)CC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595292924 398916719 /nfs/dbraw/zinc/91/67/19/398916719.db2.gz FWHAFUIDRGXAPT-UHFFFAOYSA-N 2 1 324.425 2.835 20 5 DFBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595292924 398916721 /nfs/dbraw/zinc/91/67/21/398916721.db2.gz FWHAFUIDRGXAPT-UHFFFAOYSA-N 2 1 324.425 2.835 20 5 DFBDMP C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCn2ccnc2C1 ZINC000595466739 398944466 /nfs/dbraw/zinc/94/44/66/398944466.db2.gz RYAHMHPSWHJEFD-GFCCVEGCSA-N 2 1 318.352 2.625 20 5 DFBDMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000600683704 399116565 /nfs/dbraw/zinc/11/65/65/399116565.db2.gz XSSLOKXUOSVHBN-XNISGKROSA-N 2 1 303.406 2.646 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595901008 399128037 /nfs/dbraw/zinc/12/80/37/399128037.db2.gz RNWCNEPQWQVUFM-KRWDZBQOSA-N 2 1 317.433 2.849 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282554045 217085228 /nfs/dbraw/zinc/08/52/28/217085228.db2.gz XMOYDLUBTBSIBM-UHFFFAOYSA-N 2 1 302.378 2.664 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282554045 217085230 /nfs/dbraw/zinc/08/52/30/217085230.db2.gz XMOYDLUBTBSIBM-UHFFFAOYSA-N 2 1 302.378 2.664 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342087700 284323337 /nfs/dbraw/zinc/32/33/37/284323337.db2.gz POMDAZXRCLFDQQ-VBNZEHGJSA-N 2 1 319.405 2.553 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342087700 284323340 /nfs/dbraw/zinc/32/33/40/284323340.db2.gz POMDAZXRCLFDQQ-VBNZEHGJSA-N 2 1 319.405 2.553 20 5 DFBDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347069110 285011048 /nfs/dbraw/zinc/01/10/48/285011048.db2.gz ODLDFAQHBJBUEC-GFCCVEGCSA-N 2 1 301.346 2.635 20 5 DFBDMP C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000423043959 296371443 /nfs/dbraw/zinc/37/14/43/296371443.db2.gz QFKBXRKRYDNOBZ-RISCZKNCSA-N 2 1 311.813 2.911 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846399 399599885 /nfs/dbraw/zinc/59/98/85/399599885.db2.gz PKUISRJVTLAJSK-UHFFFAOYSA-N 2 1 312.373 2.702 20 5 DFBDMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294744508 224207155 /nfs/dbraw/zinc/20/71/55/224207155.db2.gz LOFSAFOAYVWCQL-IACUBPJLSA-N 2 1 306.410 2.700 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248638376 158192048 /nfs/dbraw/zinc/19/20/48/158192048.db2.gz QUZXSVTZDUESDL-DOTOQJQBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248638376 158192049 /nfs/dbraw/zinc/19/20/49/158192049.db2.gz QUZXSVTZDUESDL-DOTOQJQBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248638376 158192051 /nfs/dbraw/zinc/19/20/51/158192051.db2.gz QUZXSVTZDUESDL-DOTOQJQBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248638376 158192053 /nfs/dbraw/zinc/19/20/53/158192053.db2.gz QUZXSVTZDUESDL-DOTOQJQBSA-N 2 1 303.406 2.819 20 5 DFBDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000163223003 426093989 /nfs/dbraw/zinc/09/39/89/426093989.db2.gz VSSUVKVQQDCEPC-YOEHRIQHSA-N 2 1 317.433 2.847 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000136313145 426239493 /nfs/dbraw/zinc/23/94/93/426239493.db2.gz MATPDMCLTNTZSE-UHFFFAOYSA-N 2 1 302.378 2.930 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000136313145 426239495 /nfs/dbraw/zinc/23/94/95/426239495.db2.gz MATPDMCLTNTZSE-UHFFFAOYSA-N 2 1 302.378 2.930 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000290607308 426802535 /nfs/dbraw/zinc/80/25/35/426802535.db2.gz WHEJJFNEMHOEPP-DOTOQJQBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000290607308 426802538 /nfs/dbraw/zinc/80/25/38/426802538.db2.gz WHEJJFNEMHOEPP-DOTOQJQBSA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000290607308 426802541 /nfs/dbraw/zinc/80/25/41/426802541.db2.gz WHEJJFNEMHOEPP-DOTOQJQBSA-N 2 1 303.406 2.819 20 5 DFBDMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000283984538 427110500 /nfs/dbraw/zinc/11/05/00/427110500.db2.gz HAUJFHZARMLBII-ZDUSSCGKSA-N 2 1 320.437 2.948 20 5 DFBDMP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285519006 427258784 /nfs/dbraw/zinc/25/87/84/427258784.db2.gz OCUOEXXKGFVTPD-XYPWUTKMSA-N 2 1 319.405 2.531 20 5 DFBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285519006 427258794 /nfs/dbraw/zinc/25/87/94/427258794.db2.gz OCUOEXXKGFVTPD-XYPWUTKMSA-N 2 1 319.405 2.531 20 5 DFBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285519006 427258798 /nfs/dbraw/zinc/25/87/98/427258798.db2.gz OCUOEXXKGFVTPD-XYPWUTKMSA-N 2 1 319.405 2.531 20 5 DFBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285519006 427258805 /nfs/dbraw/zinc/25/88/05/427258805.db2.gz OCUOEXXKGFVTPD-XYPWUTKMSA-N 2 1 319.405 2.531 20 5 DFBDMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293576730 427370672 /nfs/dbraw/zinc/37/06/72/427370672.db2.gz DRYXTDXMMLQMJQ-LBPRGKRZSA-N 2 1 318.421 2.845 20 5 DFBDMP CC(C)[N@@H+](CCc1cncn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000297298763 427391945 /nfs/dbraw/zinc/39/19/45/427391945.db2.gz BDNMCIJWKGHLDR-UHFFFAOYSA-N 2 1 302.378 2.781 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000344319905 272311449 /nfs/dbraw/zinc/31/14/49/272311449.db2.gz HVKFTTYDIOEROP-ZDUSSCGKSA-N 2 1 319.405 2.906 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344737852 272364042 /nfs/dbraw/zinc/36/40/42/272364042.db2.gz CMEYOHCFYSUWGZ-IIAWOOMASA-N 2 1 305.422 2.988 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344737852 272364043 /nfs/dbraw/zinc/36/40/43/272364043.db2.gz CMEYOHCFYSUWGZ-IIAWOOMASA-N 2 1 305.422 2.988 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295094093 427688082 /nfs/dbraw/zinc/68/80/82/427688082.db2.gz UDARMIRGAPSXHL-GOOCMWNKSA-N 2 1 319.405 2.708 20 5 DFBDMP COc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000339432746 427773630 /nfs/dbraw/zinc/77/36/30/427773630.db2.gz LRLNMQFOIOWERP-KRWDZBQOSA-N 2 1 319.405 2.521 20 5 DFBDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773692 428241922 /nfs/dbraw/zinc/24/19/22/428241922.db2.gz UFCHADOYMZORIJ-ZFWWWQNUSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773692 428241924 /nfs/dbraw/zinc/24/19/24/428241924.db2.gz UFCHADOYMZORIJ-ZFWWWQNUSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773692 428241929 /nfs/dbraw/zinc/24/19/29/428241929.db2.gz UFCHADOYMZORIJ-ZFWWWQNUSA-N 2 1 321.421 2.766 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773692 428241931 /nfs/dbraw/zinc/24/19/31/428241931.db2.gz UFCHADOYMZORIJ-ZFWWWQNUSA-N 2 1 321.421 2.766 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779838 428404006 /nfs/dbraw/zinc/40/40/06/428404006.db2.gz KQUWMXPHPCAMBJ-GDBMZVCRSA-N 2 1 303.406 2.725 20 5 DFBDMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414922853 428459130 /nfs/dbraw/zinc/45/91/30/428459130.db2.gz HKZWPPNDEDKQLS-WDEREUQCSA-N 2 1 315.320 2.556 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415037681 428496113 /nfs/dbraw/zinc/49/61/13/428496113.db2.gz HCLOIWQHWHVHFS-YOEHRIQHSA-N 2 1 303.406 2.867 20 5 DFBDMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000375852289 428998673 /nfs/dbraw/zinc/99/86/73/428998673.db2.gz NKAKOLDVMUNWQT-ULQDDVLXSA-N 2 1 303.406 2.600 20 5 DFBDMP CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623090 429153110 /nfs/dbraw/zinc/15/31/10/429153110.db2.gz BRUHGPWWOMRKMD-CQSZACIVSA-N 2 1 307.394 2.567 20 5 DFBDMP CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623090 429153114 /nfs/dbraw/zinc/15/31/14/429153114.db2.gz BRUHGPWWOMRKMD-CQSZACIVSA-N 2 1 307.394 2.567 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368874043 429899397 /nfs/dbraw/zinc/89/93/97/429899397.db2.gz CAWOZLJRBKNEAK-BPZRLTIMSA-N 2 1 301.390 2.824 20 5 DFBDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892791 430565907 /nfs/dbraw/zinc/56/59/07/430565907.db2.gz QELPATOAAMMQGH-WBVHZDCISA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892791 430565911 /nfs/dbraw/zinc/56/59/11/430565911.db2.gz QELPATOAAMMQGH-WBVHZDCISA-N 2 1 303.406 2.553 20 5 DFBDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610892791 430565916 /nfs/dbraw/zinc/56/59/16/430565916.db2.gz QELPATOAAMMQGH-WBVHZDCISA-N 2 1 303.406 2.553 20 5 DFBDMP C[C@@H]1CC[N@@H+](CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507157 430633137 /nfs/dbraw/zinc/63/31/37/430633137.db2.gz SCIUIHRQAGFLAV-DYVFJYSZSA-N 2 1 303.406 2.904 20 5 DFBDMP CC[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000449078917 297401733 /nfs/dbraw/zinc/40/17/33/297401733.db2.gz WUMBYSXSWXWOAS-GOEBONIOSA-N 2 1 305.422 2.990 20 5 DFBDMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000565159373 302199252 /nfs/dbraw/zinc/19/92/52/302199252.db2.gz XXSGUQPWBWLBNK-UHFFFAOYSA-N 2 1 314.389 2.926 20 5 DFBDMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000565159373 302199255 /nfs/dbraw/zinc/19/92/55/302199255.db2.gz XXSGUQPWBWLBNK-UHFFFAOYSA-N 2 1 314.389 2.926 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592426346 398424611 /nfs/dbraw/zinc/42/46/11/398424611.db2.gz WPAGAOIRMUPKRH-RDJZCZTQSA-N 2 1 303.406 2.867 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592426346 398424613 /nfs/dbraw/zinc/42/46/13/398424613.db2.gz WPAGAOIRMUPKRH-RDJZCZTQSA-N 2 1 303.406 2.867 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433824 398425722 /nfs/dbraw/zinc/42/57/22/398425722.db2.gz YIYVRVAIPGGXQP-HUUCEWRRSA-N 2 1 303.406 2.806 20 5 DFBDMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000593315564 398596868 /nfs/dbraw/zinc/59/68/68/398596868.db2.gz LMCNVMPOSILBQE-KAUISWQESA-N 2 1 301.390 2.669 20 5 DFBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000593315564 398596872 /nfs/dbraw/zinc/59/68/72/398596872.db2.gz LMCNVMPOSILBQE-KAUISWQESA-N 2 1 301.390 2.669 20 5 DFBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459731578 299175189 /nfs/dbraw/zinc/17/51/89/299175189.db2.gz FHLSIOWUXSFDJU-CABCVRRESA-N 2 1 305.422 2.847 20 5 DFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)o1 ZINC000414915694 295834641 /nfs/dbraw/zinc/83/46/41/295834641.db2.gz ONODEOGRLVGCDY-GFCCVEGCSA-N 2 1 301.346 2.554 20 5 DFBDMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414922851 295835355 /nfs/dbraw/zinc/83/53/55/295835355.db2.gz HKZWPPNDEDKQLS-MNOVXSKESA-N 2 1 315.320 2.556 20 5 DFBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174210907 198306364 /nfs/dbraw/zinc/30/63/64/198306364.db2.gz BRWPVIIYLUGZAZ-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174210907 198306366 /nfs/dbraw/zinc/30/63/66/198306366.db2.gz BRWPVIIYLUGZAZ-HNNXBMFYSA-N 2 1 321.421 2.637 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000591578042 398772776 /nfs/dbraw/zinc/77/27/76/398772776.db2.gz PAYLWBHBHNJPBI-HZPDHXFCSA-N 2 1 303.406 2.648 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000591578041 398772879 /nfs/dbraw/zinc/77/28/79/398772879.db2.gz PAYLWBHBHNJPBI-HOTGVXAUSA-N 2 1 303.406 2.648 20 5 DFBDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343941 398924855 /nfs/dbraw/zinc/92/48/55/398924855.db2.gz ILHKNHMGNDZQIM-CYBMUJFWSA-N 2 1 309.385 2.898 20 5 DFBDMP C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000600708826 399120675 /nfs/dbraw/zinc/12/06/75/399120675.db2.gz GPDZCQOVHCHBLA-WQVCFCJDSA-N 2 1 303.406 2.646 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058386 399157791 /nfs/dbraw/zinc/15/77/91/399157791.db2.gz GOFIMBKEKBJBRJ-HNNXBMFYSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596058386 399157792 /nfs/dbraw/zinc/15/77/92/399157792.db2.gz GOFIMBKEKBJBRJ-HNNXBMFYSA-N 2 1 303.406 2.806 20 5 DFBDMP O=[N+]([O-])c1cccc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000420360942 296180108 /nfs/dbraw/zinc/18/01/08/296180108.db2.gz MQXOFBGHUSUTKZ-AWEZNQCLSA-N 2 1 303.406 2.949 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000615720672 399377467 /nfs/dbraw/zinc/37/74/67/399377467.db2.gz LFLPTCUSLBXMJE-UZGISAJGSA-N 2 1 312.373 2.799 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000602715044 399535336 /nfs/dbraw/zinc/53/53/36/399535336.db2.gz LXJKTJWGVQXKIS-QGZVFWFLSA-N 2 1 317.433 2.849 20 5 DFBDMP CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000423045518 296371325 /nfs/dbraw/zinc/37/13/25/296371325.db2.gz SLESRDYWNDUMPG-KBPBESRZSA-N 2 1 311.813 2.911 20 5 DFBDMP Cc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641145 197290803 /nfs/dbraw/zinc/29/08/03/197290803.db2.gz ITHCTBLYGZHUCR-WBVHZDCISA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641145 197290805 /nfs/dbraw/zinc/29/08/05/197290805.db2.gz ITHCTBLYGZHUCR-WBVHZDCISA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641145 197290807 /nfs/dbraw/zinc/29/08/07/197290807.db2.gz ITHCTBLYGZHUCR-WBVHZDCISA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641145 197290808 /nfs/dbraw/zinc/29/08/08/197290808.db2.gz ITHCTBLYGZHUCR-WBVHZDCISA-N 2 1 303.406 2.819 20 5 DFBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C[NH3+])C1CC1 ZINC000423274431 296399637 /nfs/dbraw/zinc/39/96/37/296399637.db2.gz KLXKYQXMKLSDHK-CHWSQXEVSA-N 2 1 309.435 2.792 20 5 DFBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000423489603 296421263 /nfs/dbraw/zinc/42/12/63/296421263.db2.gz XLJBXUCKQVLRTR-DGCLKSJQSA-N 2 1 313.348 2.799 20 5 DFBDMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cccc1[N+](=O)[O-] ZINC000423489905 296421313 /nfs/dbraw/zinc/42/13/13/296421313.db2.gz XXANYWNCHJDDRP-VXGBXAGGSA-N 2 1 313.348 2.799 20 5 DFBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261854773 146290340 /nfs/dbraw/zinc/29/03/40/146290340.db2.gz VTEJJPZMEHPHAL-SJORKVTESA-N 2 1 311.385 2.769 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000262095582 146332960 /nfs/dbraw/zinc/33/29/60/146332960.db2.gz VEFAPSVQICDDRO-UHFFFAOYSA-N 2 1 309.797 2.824 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000130711701 196103475 /nfs/dbraw/zinc/10/34/75/196103475.db2.gz IZLAGRNGEWNKNO-UHFFFAOYSA-N 2 1 318.377 2.501 20 5 DFBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000130711701 196103476 /nfs/dbraw/zinc/10/34/76/196103476.db2.gz IZLAGRNGEWNKNO-UHFFFAOYSA-N 2 1 318.377 2.501 20 5 DFBDMP COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641399 426444502 /nfs/dbraw/zinc/44/45/02/426444502.db2.gz BWPHVXBJYIZXOQ-GXTWGEPZSA-N 2 1 307.394 2.518 20 5 DFBDMP Cc1c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cccc1[N+](=O)[O-] ZINC000285471895 427241933 /nfs/dbraw/zinc/24/19/33/427241933.db2.gz KNSUJMTWCUPFDB-XYPWUTKMSA-N 2 1 303.406 2.960 20 5 DFBDMP Cc1c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cccc1[N+](=O)[O-] ZINC000285471895 427241940 /nfs/dbraw/zinc/24/19/40/427241940.db2.gz KNSUJMTWCUPFDB-XYPWUTKMSA-N 2 1 303.406 2.960 20 5 DFBDMP Cc1c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000285471895 427241946 /nfs/dbraw/zinc/24/19/46/427241946.db2.gz KNSUJMTWCUPFDB-XYPWUTKMSA-N 2 1 303.406 2.960 20 5 DFBDMP Cc1c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000285471895 427241951 /nfs/dbraw/zinc/24/19/51/427241951.db2.gz KNSUJMTWCUPFDB-XYPWUTKMSA-N 2 1 303.406 2.960 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293836663 427457142 /nfs/dbraw/zinc/45/71/42/427457142.db2.gz WRXBYQGBMLZASN-STQMWFEESA-N 2 1 309.410 2.842 20 5 DFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192692089 427589902 /nfs/dbraw/zinc/58/99/02/427589902.db2.gz DFYGCCKOQNNPCS-CXAGYDPISA-N 2 1 303.406 2.904 20 5 DFBDMP Cc1c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000369617749 428017434 /nfs/dbraw/zinc/01/74/34/428017434.db2.gz QXLADPHPGJWPEH-CQSZACIVSA-N 2 1 314.389 2.794 20 5 DFBDMP Cc1c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC000369617749 428017440 /nfs/dbraw/zinc/01/74/40/428017440.db2.gz QXLADPHPGJWPEH-CQSZACIVSA-N 2 1 314.389 2.794 20 5 DFBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000346825551 428334647 /nfs/dbraw/zinc/33/46/47/428334647.db2.gz QJUABCCRYJRFNR-ZLPVVSKCSA-N 2 1 301.390 2.667 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785568 428408221 /nfs/dbraw/zinc/40/82/21/428408221.db2.gz SVEFMANMPCTBDL-XXMIHFJBSA-N 2 1 315.417 2.930 20 5 DFBDMP C[C@H]1C[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]1 ZINC000414670655 428370338 /nfs/dbraw/zinc/37/03/38/428370338.db2.gz DNBBPEMQNLZNDO-DZGCQCFKSA-N 2 1 303.406 2.947 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357073194 428379892 /nfs/dbraw/zinc/37/98/92/428379892.db2.gz DTNRKJSQAHHVKQ-CYBMUJFWSA-N 2 1 307.369 2.555 20 5 DFBDMP CC[N@H+]1CC[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224672 428927622 /nfs/dbraw/zinc/92/76/22/428927622.db2.gz ONELPOLZXUBGQD-GJZGRUSLSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224672 428927628 /nfs/dbraw/zinc/92/76/28/428927628.db2.gz ONELPOLZXUBGQD-GJZGRUSLSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224672 428927637 /nfs/dbraw/zinc/92/76/37/428927637.db2.gz ONELPOLZXUBGQD-GJZGRUSLSA-N 2 1 321.421 2.778 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224672 428927645 /nfs/dbraw/zinc/92/76/45/428927645.db2.gz ONELPOLZXUBGQD-GJZGRUSLSA-N 2 1 321.421 2.778 20 5 DFBDMP O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363661499 428962207 /nfs/dbraw/zinc/96/22/07/428962207.db2.gz RQAJLDAWTYIXLZ-UNEWFSDZSA-N 2 1 319.380 2.650 20 5 DFBDMP CC[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423475891 429094404 /nfs/dbraw/zinc/09/44/04/429094404.db2.gz KSBCKXQRURCWTM-OCCSQVGLSA-N 2 1 313.348 2.880 20 5 DFBDMP C[C@H]1CC2(C[N@H+]1CCc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424289530 429120777 /nfs/dbraw/zinc/12/07/77/429120777.db2.gz LURNOBUAZOEQBV-AWEZNQCLSA-N 2 1 303.406 2.601 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302033 429123390 /nfs/dbraw/zinc/12/33/90/429123390.db2.gz YTMTZGCBWVEDFU-ZDUSSCGKSA-N 2 1 319.405 2.567 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000430216842 429663832 /nfs/dbraw/zinc/66/38/32/429663832.db2.gz IKBDULLSEFKLKA-UHFFFAOYSA-N 2 1 318.377 2.630 20 5 DFBDMP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000430216842 429663835 /nfs/dbraw/zinc/66/38/35/429663835.db2.gz IKBDULLSEFKLKA-UHFFFAOYSA-N 2 1 318.377 2.630 20 5 DFBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000354084888 276100257 /nfs/dbraw/zinc/10/02/57/276100257.db2.gz RTCGWDUUMYENOC-MRXNPFEDSA-N 2 1 321.421 2.528 20 5 DFBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000369366206 429931854 /nfs/dbraw/zinc/93/18/54/429931854.db2.gz LIMQLOAFNLDNSS-NSHDSACASA-N 2 1 320.780 2.797 20 5 DFBDMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516089 430216366 /nfs/dbraw/zinc/21/63/66/430216366.db2.gz VPRBYZGIFIOTLB-CSVMTYNTSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516089 430216369 /nfs/dbraw/zinc/21/63/69/430216369.db2.gz VPRBYZGIFIOTLB-CSVMTYNTSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516089 430216376 /nfs/dbraw/zinc/21/63/76/430216376.db2.gz VPRBYZGIFIOTLB-CSVMTYNTSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516089 430216380 /nfs/dbraw/zinc/21/63/80/430216380.db2.gz VPRBYZGIFIOTLB-CSVMTYNTSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516089 430216383 /nfs/dbraw/zinc/21/63/83/430216383.db2.gz VPRBYZGIFIOTLB-CSVMTYNTSA-N 2 1 303.406 2.880 20 5 DFBDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516089 430216387 /nfs/dbraw/zinc/21/63/87/430216387.db2.gz VPRBYZGIFIOTLB-CSVMTYNTSA-N 2 1 303.406 2.880 20 5 DFBDMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000571103983 430602899 /nfs/dbraw/zinc/60/28/99/430602899.db2.gz IZBHVTIJGMMNLR-UHFFFAOYSA-N 2 1 302.378 2.786 20 5 DFBDMP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000516679278 300355245 /nfs/dbraw/zinc/35/52/45/300355245.db2.gz MMWIFGTVEVCRDS-TZMCWYRMSA-N 2 1 316.405 2.691 20 5 DFBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000539089284 301337645 /nfs/dbraw/zinc/33/76/45/301337645.db2.gz QUNJDTCMPSRWQR-YOEHRIQHSA-N 2 1 305.422 2.847 20 5 DFBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576052627 318100888 /nfs/dbraw/zinc/10/08/88/318100888.db2.gz QISINBFJMUILIZ-OAHLLOKOSA-N 2 1 300.362 2.767 20 5 DFBDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576143153 318106792 /nfs/dbraw/zinc/10/67/92/318106792.db2.gz NRJUSNVIMPZKLW-LRDDRELGSA-N 2 1 316.405 2.548 20 5 DFBDMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1[N+](=O)[O-] ZINC000577117557 318172260 /nfs/dbraw/zinc/17/22/60/318172260.db2.gz WNPSDDYWUTXTIG-UHFFFAOYSA-N 2 1 311.385 2.873 20 5 DFBDMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1[N+](=O)[O-] ZINC000577117557 318172262 /nfs/dbraw/zinc/17/22/62/318172262.db2.gz WNPSDDYWUTXTIG-UHFFFAOYSA-N 2 1 311.385 2.873 20 5 DFBDMP C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000580093181 318375795 /nfs/dbraw/zinc/37/57/95/318375795.db2.gz BJGUHNOCTVISGQ-BBRMVZONSA-N 2 1 303.406 2.904 20 5 DFBDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390917 214136174 /nfs/dbraw/zinc/13/61/74/214136174.db2.gz CWMKSHLFTCZRHY-LSDHHAIUSA-N 2 1 321.421 2.746 20 5 DFBDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390917 214136176 /nfs/dbraw/zinc/13/61/76/214136176.db2.gz CWMKSHLFTCZRHY-LSDHHAIUSA-N 2 1 321.421 2.746 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596360493 398394932 /nfs/dbraw/zinc/39/49/32/398394932.db2.gz MGQYVIQIZJMOPF-AWEZNQCLSA-N 2 1 308.426 2.587 20 5 DFBDMP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433760 398425412 /nfs/dbraw/zinc/42/54/12/398425412.db2.gz SUHXSQXWYQXFOC-HZPDHXFCSA-N 2 1 303.406 2.806 20 5 DFBDMP CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000596648235 398471629 /nfs/dbraw/zinc/47/16/29/398471629.db2.gz MXEIDUDIVJPDJA-GFCCVEGCSA-N 2 1 307.394 2.916 20 5 DFBDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174770444 198382546 /nfs/dbraw/zinc/38/25/46/198382546.db2.gz GQKXFMFDBARYHZ-CABCVRRESA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174770444 198382548 /nfs/dbraw/zinc/38/25/48/198382548.db2.gz GQKXFMFDBARYHZ-CABCVRRESA-N 2 1 321.421 2.636 20 5 DFBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174770444 198382549 /nfs/dbraw/zinc/38/25/49/198382549.db2.gz GQKXFMFDBARYHZ-CABCVRRESA-N 2 1 321.421 2.636 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594734585 398851413 /nfs/dbraw/zinc/85/14/13/398851413.db2.gz BXWPEIKWZBEHKU-INIZCTEOSA-N 2 1 303.406 2.806 20 5 DFBDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598961772 398897575 /nfs/dbraw/zinc/89/75/75/398897575.db2.gz BJWSRYAVGHKBEH-CYBMUJFWSA-N 2 1 307.394 2.566 20 5 DFBDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598961772 398897576 /nfs/dbraw/zinc/89/75/76/398897576.db2.gz BJWSRYAVGHKBEH-CYBMUJFWSA-N 2 1 307.394 2.566 20 5 DFBDMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072044 398917191 /nfs/dbraw/zinc/91/71/91/398917191.db2.gz XAVNHBAFGGSLOE-BBRMVZONSA-N 2 1 303.406 2.904 20 5 DFBDMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000595344411 398925004 /nfs/dbraw/zinc/92/50/04/398925004.db2.gz DQKTWLCGVAOKOV-SWLSCSKDSA-N 2 1 307.369 2.650 20 5 DFBDMP C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCc2[nH+]ccn2C1 ZINC000595444109 398939711 /nfs/dbraw/zinc/93/97/11/398939711.db2.gz KZGCBZZUKFYMDY-GFCCVEGCSA-N 2 1 318.352 2.625 20 5 DFBDMP C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCc2[nH+]ccn2C1 ZINC000595444109 398939714 /nfs/dbraw/zinc/93/97/14/398939714.db2.gz KZGCBZZUKFYMDY-GFCCVEGCSA-N 2 1 318.352 2.625 20 5 DFBDMP C[N@@H+]1CC=C(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000271834778 209254907 /nfs/dbraw/zinc/25/49/07/209254907.db2.gz FNOBOIKEFWUCLG-QGZVFWFLSA-N 2 1 315.417 2.767 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600678634 399115775 /nfs/dbraw/zinc/11/57/75/399115775.db2.gz NRJWFIXATPVVRM-CJNGLKHVSA-N 2 1 303.406 2.790 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900203 399127800 /nfs/dbraw/zinc/12/78/00/399127800.db2.gz ARZYQRRCTSMKCZ-AWEZNQCLSA-N 2 1 321.396 2.946 20 5 DFBDMP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337885 296176982 /nfs/dbraw/zinc/17/69/82/296176982.db2.gz KFTSSHMKBFBETJ-HNNXBMFYSA-N 2 1 307.369 2.698 20 5 DFBDMP O=[N+]([O-])c1ccccc1C[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000420358535 296179567 /nfs/dbraw/zinc/17/95/67/296179567.db2.gz JJWDKKBTZYQALV-UHFFFAOYSA-N 2 1 303.406 2.949 20 5 DFBDMP O=[N+]([O-])c1ccc(C[N@@H+](CCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000420360846 296180132 /nfs/dbraw/zinc/18/01/32/296180132.db2.gz MJEREQIWCBPONY-UHFFFAOYSA-N 2 1 303.406 2.949 20 5 DFBDMP Cc1[nH+]ccn1CCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602552049 399473923 /nfs/dbraw/zinc/47/39/23/399473923.db2.gz RQNHTVRFFNODQL-UHFFFAOYSA-N 2 1 302.378 2.712 20 5 DFBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423274434 296399482 /nfs/dbraw/zinc/39/94/82/296399482.db2.gz KLXKYQXMKLSDHK-STQMWFEESA-N 2 1 309.435 2.792 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000423386734 296411482 /nfs/dbraw/zinc/41/14/82/296411482.db2.gz RNMLFFMWKMXINP-OBJOEFQTSA-N 2 1 307.394 2.785 20 5 DFBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877658 399612090 /nfs/dbraw/zinc/61/20/90/399612090.db2.gz IPWJSZLJAVEBRJ-UHFFFAOYSA-N 2 1 319.405 2.521 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000612578176 399680224 /nfs/dbraw/zinc/68/02/24/399680224.db2.gz ASKZBEPDHFXERE-INIZCTEOSA-N 2 1 300.362 2.937 20 5 DFBDMP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[NH+]1C ZINC000075860143 426088161 /nfs/dbraw/zinc/08/81/61/426088161.db2.gz VUAZYUOJRYGYNJ-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[NH+]1C ZINC000075860143 426088162 /nfs/dbraw/zinc/08/81/62/426088162.db2.gz VUAZYUOJRYGYNJ-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000075860143 426088167 /nfs/dbraw/zinc/08/81/67/426088167.db2.gz VUAZYUOJRYGYNJ-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[N@H+]1C ZINC000075860143 426088169 /nfs/dbraw/zinc/08/81/69/426088169.db2.gz VUAZYUOJRYGYNJ-OAHLLOKOSA-N 2 1 321.421 2.780 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150832418 426263342 /nfs/dbraw/zinc/26/33/42/426263342.db2.gz PBLIWZCFIKNSFT-MRXNPFEDSA-N 2 1 303.406 2.555 20 5 DFBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150832418 426263343 /nfs/dbraw/zinc/26/33/43/426263343.db2.gz PBLIWZCFIKNSFT-MRXNPFEDSA-N 2 1 303.406 2.555 20 5 DFBDMP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504381 426779663 /nfs/dbraw/zinc/77/96/63/426779663.db2.gz PHATXFWXXSKABE-CABCVRRESA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504381 426779668 /nfs/dbraw/zinc/77/96/68/426779668.db2.gz PHATXFWXXSKABE-CABCVRRESA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504381 426779671 /nfs/dbraw/zinc/77/96/71/426779671.db2.gz PHATXFWXXSKABE-CABCVRRESA-N 2 1 319.405 2.520 20 5 DFBDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504381 426779675 /nfs/dbraw/zinc/77/96/75/426779675.db2.gz PHATXFWXXSKABE-CABCVRRESA-N 2 1 319.405 2.520 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000290607348 426802835 /nfs/dbraw/zinc/80/28/35/426802835.db2.gz WHEJJFNEMHOEPP-WBVHZDCISA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000290607348 426802841 /nfs/dbraw/zinc/80/28/41/426802841.db2.gz WHEJJFNEMHOEPP-WBVHZDCISA-N 2 1 303.406 2.819 20 5 DFBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000290607348 426802843 /nfs/dbraw/zinc/80/28/43/426802843.db2.gz WHEJJFNEMHOEPP-WBVHZDCISA-N 2 1 303.406 2.819 20 5 DFBDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247190232 426914623 /nfs/dbraw/zinc/91/46/23/426914623.db2.gz VSSUVKVQQDCEPC-RHSMWYFYSA-N 2 1 317.433 2.847 20 5 DFBDMP CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000271172117 427431903 /nfs/dbraw/zinc/43/19/03/427431903.db2.gz UJUMSGGAWRCHRF-STQMWFEESA-N 2 1 309.410 2.984 20 5 DFBDMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000279014343 427531544 /nfs/dbraw/zinc/53/15/44/427531544.db2.gz UDINBQIRQDXRPV-STQMWFEESA-N 2 1 300.362 2.705 20 5 DFBDMP CC(C)[NH+]1CCC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000263726251 427553739 /nfs/dbraw/zinc/55/37/39/427553739.db2.gz PEYFUJRGZMCMSH-UHFFFAOYSA-N 2 1 321.421 2.778 20 5 DFBDMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000263726251 427553745 /nfs/dbraw/zinc/55/37/45/427553745.db2.gz PEYFUJRGZMCMSH-UHFFFAOYSA-N 2 1 321.421 2.778 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344737850 272363351 /nfs/dbraw/zinc/36/33/51/272363351.db2.gz CMEYOHCFYSUWGZ-FMKPAKJESA-N 2 1 305.422 2.988 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344737850 272363353 /nfs/dbraw/zinc/36/33/53/272363353.db2.gz CMEYOHCFYSUWGZ-FMKPAKJESA-N 2 1 305.422 2.988 20 5 DFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000359457423 427860916 /nfs/dbraw/zinc/86/09/16/427860916.db2.gz NLGXPTIIFCMBBO-CHWSQXEVSA-N 2 1 313.357 2.506 20 5 DFBDMP O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000359476323 427868041 /nfs/dbraw/zinc/86/80/41/427868041.db2.gz UHJXJJIQTKVELX-ZIAGYGMSSA-N 2 1 313.357 2.506 20 5 DFBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785561 428406885 /nfs/dbraw/zinc/40/68/85/428406885.db2.gz SVEFMANMPCTBDL-NGTOWPRWSA-N 2 1 315.417 2.930 20 5 DFBDMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[NH2+]1 ZINC000414670656 428369208 /nfs/dbraw/zinc/36/92/08/428369208.db2.gz DNBBPEMQNLZNDO-HIFRSBDPSA-N 2 1 303.406 2.947 20 5 DFBDMP C[C@@H]1C[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]1 ZINC000414677626 428374065 /nfs/dbraw/zinc/37/40/65/428374065.db2.gz PFFRVSKUANSYOF-HIFRSBDPSA-N 2 1 303.406 2.947 20 5 DFBDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352726 429071577 /nfs/dbraw/zinc/07/15/77/429071577.db2.gz AKCZCIQGTRNSBJ-OHFALNGGSA-N 2 1 317.433 2.894 20 5 DFBDMP CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435378714 429137573 /nfs/dbraw/zinc/13/75/73/429137573.db2.gz FVKVUHZLVFVSCG-AWEZNQCLSA-N 2 1 307.394 2.567 20 5 DFBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368104953 429788171 /nfs/dbraw/zinc/78/81/71/429788171.db2.gz MCIWBJIZMVOIBK-OCCSQVGLSA-N 2 1 314.389 2.786 20 5 DFBDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000368131660 429795703 /nfs/dbraw/zinc/79/57/03/429795703.db2.gz BDRCQWNSWYIHFJ-AWEZNQCLSA-N 2 1 309.435 2.820 20 5 DFBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000530326484 430111697 /nfs/dbraw/zinc/11/16/97/430111697.db2.gz VSVLHDYVJZVELE-MBSJSRAVSA-N 2 1 303.406 2.930 20 5 DFBDMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275513141 278352042 /nfs/dbraw/zinc/35/20/42/278352042.db2.gz KNHVLVRLMHGAFW-OLZOCXBDSA-N 2 1 300.362 2.705 20 5 DFBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442920995 297211011 /nfs/dbraw/zinc/21/10/11/297211011.db2.gz MIIDDAJVBCBEQD-ZDUSSCGKSA-N 2 1 307.394 2.554 20 5 DFBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CCCC1 ZINC000449064951 297399232 /nfs/dbraw/zinc/39/92/32/297399232.db2.gz XGKVXUNVEHVORI-AWEZNQCLSA-N 2 1 305.422 2.990 20 5 DFBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC[NH2+]CC2)o1 ZINC000414781251 316653255 /nfs/dbraw/zinc/65/32/55/316653255.db2.gz BUTQJDUJAHTUNK-UHFFFAOYSA-N 2 1 301.346 2.696 20 5 DFBDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000577816103 318218095 /nfs/dbraw/zinc/21/80/95/318218095.db2.gz BXHKZRHCGJBGJO-MRXNPFEDSA-N 2 1 314.389 2.883 20 5 DFBDMP