smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000096630372 185384827 /nfs/dbraw/zinc/38/48/27/185384827.db2.gz RSBPITYDWUHVRN-NSHDSACASA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000096630372 185384828 /nfs/dbraw/zinc/38/48/28/185384828.db2.gz RSBPITYDWUHVRN-NSHDSACASA-N 1 1 312.753 2.633 20 5 DFBDMO C[C@H]1C[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000318281533 231167546 /nfs/dbraw/zinc/16/75/46/231167546.db2.gz LKDDPPUKTDUYFL-IUCAKERBSA-N 1 1 318.299 2.903 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCCC2 ZINC000591899374 398346959 /nfs/dbraw/zinc/34/69/59/398346959.db2.gz KURQFQPFWWGAIX-ZIAGYGMSSA-N 1 1 316.405 2.907 20 5 DFBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC12CCC2 ZINC000081545627 398357337 /nfs/dbraw/zinc/35/73/37/398357337.db2.gz WATJLMMZKPCIID-UHFFFAOYSA-N 1 1 317.345 2.521 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000065962413 398352635 /nfs/dbraw/zinc/35/26/35/398352635.db2.gz KRYPZCPLBFMHPH-UHFFFAOYSA-N 1 1 309.366 2.520 20 5 DFBDMO CN(C[C@H]1CCn2cc[nH+]c2C1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596211378 398358710 /nfs/dbraw/zinc/35/87/10/398358710.db2.gz RHTVJRLXVVSEKD-JTQLQIEISA-N 1 1 321.768 2.539 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000008119168 398369453 /nfs/dbraw/zinc/36/94/53/398369453.db2.gz KDBXXEHKFZIIBR-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO CC1CCC([N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)CC1 ZINC000090518050 185300123 /nfs/dbraw/zinc/30/01/23/185300123.db2.gz LQXOPEDIOWBDCU-UHFFFAOYSA-N 1 1 319.405 2.800 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCCCC1 ZINC000090522796 185300180 /nfs/dbraw/zinc/30/01/80/185300180.db2.gz JVGGVPJIZGWAKL-UHFFFAOYSA-N 1 1 307.394 2.801 20 5 DFBDMO CC(C)C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552300 185302898 /nfs/dbraw/zinc/30/28/98/185302898.db2.gz HJPXSPRSRROLAC-CQSZACIVSA-N 1 1 307.394 2.515 20 5 DFBDMO C[N@@H+](CCC(C)(C)C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592144647 398390998 /nfs/dbraw/zinc/39/09/98/398390998.db2.gz GITWYLKSEOUUBO-UHFFFAOYSA-N 1 1 319.405 2.852 20 5 DFBDMO Cc1ccc(N[C@@H](C)C[N@H+](C)CCCN(C)C)c([N+](=O)[O-])c1 ZINC000596361593 398394964 /nfs/dbraw/zinc/39/49/64/398394964.db2.gz WDVNVMBQANICFP-AWEZNQCLSA-N 1 1 308.426 2.587 20 5 DFBDMO Cc1ccc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)c([N+](=O)[O-])c1 ZINC000596361593 398394968 /nfs/dbraw/zinc/39/49/68/398394968.db2.gz WDVNVMBQANICFP-AWEZNQCLSA-N 1 1 308.426 2.587 20 5 DFBDMO O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000016426554 398400586 /nfs/dbraw/zinc/40/05/86/398400586.db2.gz BFSKOKAGVXXMFT-UHFFFAOYSA-N 1 1 317.414 2.974 20 5 DFBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1cc(N)ccc1[N+](=O)[O-] ZINC000286652874 219104492 /nfs/dbraw/zinc/10/44/92/219104492.db2.gz WNDBKUGAMOILJH-UHFFFAOYSA-N 1 1 318.377 2.728 20 5 DFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c(F)c1 ZINC000596479180 398425148 /nfs/dbraw/zinc/42/51/48/398425148.db2.gz LVLFBPDWPKXGFU-NSHDSACASA-N 1 1 308.357 2.948 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000294915541 529903355 /nfs/dbraw/zinc/90/33/55/529903355.db2.gz ICFPOOPUPVXLQO-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cc1ccccc1 ZINC000299364479 529990328 /nfs/dbraw/zinc/99/03/28/529990328.db2.gz WETMXKOTOBPYLD-QGZVFWFLSA-N 1 1 300.358 2.630 20 5 DFBDMO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000596598932 398457258 /nfs/dbraw/zinc/45/72/58/398457258.db2.gz OKNBOVOKKSKGNK-UHFFFAOYSA-N 1 1 300.362 2.902 20 5 DFBDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000596598932 398457260 /nfs/dbraw/zinc/45/72/60/398457260.db2.gz OKNBOVOKKSKGNK-UHFFFAOYSA-N 1 1 300.362 2.902 20 5 DFBDMO Nc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000596636703 398467120 /nfs/dbraw/zinc/46/71/20/398467120.db2.gz MAWZOAWKPMFJOG-UHFFFAOYSA-N 1 1 313.357 2.676 20 5 DFBDMO Cc1c(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000596635520 398467253 /nfs/dbraw/zinc/46/72/53/398467253.db2.gz LVCDLWXJDGLNTJ-GFCCVEGCSA-N 1 1 320.393 2.898 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3c[nH+]cn3C2)cc1OC(F)F ZINC000588067655 398480023 /nfs/dbraw/zinc/48/00/23/398480023.db2.gz GXTHNGCPEQULIP-SNVBAGLBSA-N 1 1 324.287 2.820 20 5 DFBDMO CCOc1cc(N[C@@H]2CCc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000588067757 398480243 /nfs/dbraw/zinc/48/02/43/398480243.db2.gz NMGQXSOMYRTRBO-GFCCVEGCSA-N 1 1 302.334 2.617 20 5 DFBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000592754363 398481276 /nfs/dbraw/zinc/48/12/76/398481276.db2.gz DULVCARCWSQQFG-LBPRGKRZSA-N 1 1 316.361 2.621 20 5 DFBDMO CC(C)[N@@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000232639887 535009690 /nfs/dbraw/zinc/00/96/90/535009690.db2.gz LMCPATNYBGPLKF-UHFFFAOYSA-N 1 1 306.288 2.761 20 5 DFBDMO CCCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592829642 398491806 /nfs/dbraw/zinc/49/18/06/398491806.db2.gz TYUNGIFPGCPLIH-XJKSGUPXSA-N 1 1 319.405 2.641 20 5 DFBDMO CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000030142090 398496293 /nfs/dbraw/zinc/49/62/93/398496293.db2.gz DUOSVVBKADCWDR-ZDUSSCGKSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000030142090 398496297 /nfs/dbraw/zinc/49/62/97/398496297.db2.gz DUOSVVBKADCWDR-ZDUSSCGKSA-N 1 1 305.378 2.964 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279642023 215026459 /nfs/dbraw/zinc/02/64/59/215026459.db2.gz AVFLQEPPWLHWMX-VWPFQQQWSA-N 1 1 320.389 2.924 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279642023 215026462 /nfs/dbraw/zinc/02/64/62/215026462.db2.gz AVFLQEPPWLHWMX-VWPFQQQWSA-N 1 1 320.389 2.924 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279642030 215027538 /nfs/dbraw/zinc/02/75/38/215027538.db2.gz AVFLQEPPWLHWMX-WVZRYYJFSA-N 1 1 320.389 2.924 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279642030 215027541 /nfs/dbraw/zinc/02/75/41/215027541.db2.gz AVFLQEPPWLHWMX-WVZRYYJFSA-N 1 1 320.389 2.924 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cccnc2)c1 ZINC000593020626 398521922 /nfs/dbraw/zinc/52/19/22/398521922.db2.gz QJZSYGNTLUABGR-NSHDSACASA-N 1 1 315.329 2.627 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC12CCCC2 ZINC000593037735 398527441 /nfs/dbraw/zinc/52/74/41/398527441.db2.gz CPRROECETYBQTE-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC12CCCC2 ZINC000593037735 398527445 /nfs/dbraw/zinc/52/74/45/398527445.db2.gz CPRROECETYBQTE-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO CC(C)[N@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068799877 398528832 /nfs/dbraw/zinc/52/88/32/398528832.db2.gz WJWTYEQHSYMZRA-RMKNXTFCSA-N 1 1 317.389 2.551 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000593054919 398533027 /nfs/dbraw/zinc/53/30/27/398533027.db2.gz HRNOJKKOALFGPR-AWEZNQCLSA-N 1 1 308.378 2.993 20 5 DFBDMO CC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593058782 398534048 /nfs/dbraw/zinc/53/40/48/398534048.db2.gz OKHPAGSNOFGLRY-ZIAGYGMSSA-N 1 1 308.378 2.863 20 5 DFBDMO CC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593058782 398534049 /nfs/dbraw/zinc/53/40/49/398534049.db2.gz OKHPAGSNOFGLRY-ZIAGYGMSSA-N 1 1 308.378 2.863 20 5 DFBDMO C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000272634429 210036998 /nfs/dbraw/zinc/03/69/98/210036998.db2.gz NPDNTECENRAJKW-SMDDNHRTSA-N 1 1 311.813 2.863 20 5 DFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206499 398538650 /nfs/dbraw/zinc/53/86/50/398538650.db2.gz OVHDIQGNISMXBA-CJNGLKHVSA-N 1 1 307.369 2.650 20 5 DFBDMO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593092962 398543706 /nfs/dbraw/zinc/54/37/06/398543706.db2.gz QAMWCSCYNCCCSK-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593092962 398543710 /nfs/dbraw/zinc/54/37/10/398543710.db2.gz QAMWCSCYNCCCSK-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO COc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1C ZINC000319959452 398544871 /nfs/dbraw/zinc/54/48/71/398544871.db2.gz CRGUDCAGNMZMNU-STQMWFEESA-N 1 1 305.378 2.951 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000069045996 398545438 /nfs/dbraw/zinc/54/54/38/398545438.db2.gz WDRMKSHKTIGJAJ-CQSZACIVSA-N 1 1 319.405 2.753 20 5 DFBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593127515 398553407 /nfs/dbraw/zinc/55/34/07/398553407.db2.gz XXYJJNQCUIXSPX-KNXALSJPSA-N 1 1 318.373 2.787 20 5 DFBDMO CC(C)C[N@@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593132815 398555339 /nfs/dbraw/zinc/55/53/39/398555339.db2.gz ZFENPMSCKVBYKT-UHFFFAOYSA-N 1 1 308.382 2.694 20 5 DFBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000322626261 398558406 /nfs/dbraw/zinc/55/84/06/398558406.db2.gz UAEXEXKJCBQIFM-NEPJUHHUSA-N 1 1 313.361 2.577 20 5 DFBDMO CCOC(=O)c1cc(NCC[N@@H+](C)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000589571812 398560523 /nfs/dbraw/zinc/56/05/23/398560523.db2.gz ZQSSAUNKIGLTBX-LBPRGKRZSA-N 1 1 323.393 2.914 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000593190059 398568253 /nfs/dbraw/zinc/56/82/53/398568253.db2.gz DELACAKELCXCPP-RDBSUJKOSA-N 1 1 319.405 2.765 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(C2CCC2)nn1 ZINC000597120929 398570426 /nfs/dbraw/zinc/57/04/26/398570426.db2.gz JNGYNDLSCKCGSB-UHFFFAOYSA-N 1 1 315.377 2.586 20 5 DFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(C2CCC2)nn1 ZINC000597120929 398570423 /nfs/dbraw/zinc/57/04/23/398570423.db2.gz JNGYNDLSCKCGSB-UHFFFAOYSA-N 1 1 315.377 2.586 20 5 DFBDMO Cc1cc(N(C)C[C@H]2CCc3[nH+]ccn3C2)c(F)cc1[N+](=O)[O-] ZINC000589690622 398571752 /nfs/dbraw/zinc/57/17/52/398571752.db2.gz UUYBALQCKDYPDZ-GFCCVEGCSA-N 1 1 318.352 2.938 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(Cn2cc[nH+]c2C(C)C)c1 ZINC000593236454 398578294 /nfs/dbraw/zinc/57/82/94/398578294.db2.gz JYKNIDUXQBEFFH-UHFFFAOYSA-N 1 1 303.318 2.750 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3cccc(Cl)c3C2)n1 ZINC000459672272 299161093 /nfs/dbraw/zinc/16/10/93/299161093.db2.gz GPQRFGDYBNAQQX-UHFFFAOYSA-N 1 1 306.753 2.503 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3cccc(Cl)c3C2)n1 ZINC000459672272 299161095 /nfs/dbraw/zinc/16/10/95/299161095.db2.gz GPQRFGDYBNAQQX-UHFFFAOYSA-N 1 1 306.753 2.503 20 5 DFBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000092650310 398589043 /nfs/dbraw/zinc/58/90/43/398589043.db2.gz LNXOCOARFNVVMK-LBPRGKRZSA-N 1 1 300.362 2.531 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092649379 398589233 /nfs/dbraw/zinc/58/92/33/398589233.db2.gz IOKXWWDFFBXDRU-SNVBAGLBSA-N 1 1 320.324 2.850 20 5 DFBDMO Cc1cc(N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000092653008 398590346 /nfs/dbraw/zinc/59/03/46/398590346.db2.gz QUHSXKSUCNSRBM-INIZCTEOSA-N 1 1 319.405 2.594 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](C)C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000597205856 398590146 /nfs/dbraw/zinc/59/01/46/398590146.db2.gz LLCDAJBPTZFHJR-CQSZACIVSA-N 1 1 308.378 2.565 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000597212342 398592021 /nfs/dbraw/zinc/59/20/21/398592021.db2.gz UQFARIJYQFMMLE-GTUVBKISSA-N 1 1 302.374 2.966 20 5 DFBDMO CNC(=O)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000597250010 398607504 /nfs/dbraw/zinc/60/75/04/398607504.db2.gz QCOQBAWLGJHSMS-UHFFFAOYSA-N 1 1 319.386 2.501 20 5 DFBDMO CNC(=O)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000597250010 398607505 /nfs/dbraw/zinc/60/75/05/398607505.db2.gz QCOQBAWLGJHSMS-UHFFFAOYSA-N 1 1 319.386 2.501 20 5 DFBDMO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(CO)CC1 ZINC000597255458 398608191 /nfs/dbraw/zinc/60/81/91/398608191.db2.gz NNAOYUDGMOKLIQ-UHFFFAOYSA-N 1 1 319.386 2.675 20 5 DFBDMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(CO)CC1 ZINC000597255458 398608193 /nfs/dbraw/zinc/60/81/93/398608193.db2.gz NNAOYUDGMOKLIQ-UHFFFAOYSA-N 1 1 319.386 2.675 20 5 DFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)C1CC1 ZINC000590161235 398602070 /nfs/dbraw/zinc/60/20/70/398602070.db2.gz MOSKKFTXDGJMOL-ZDUSSCGKSA-N 1 1 318.295 2.816 20 5 DFBDMO CCc1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000414450550 295802629 /nfs/dbraw/zinc/80/26/29/295802629.db2.gz GNQCIZOTIOQZAZ-UHFFFAOYSA-N 1 1 300.362 2.972 20 5 DFBDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000459694146 299166371 /nfs/dbraw/zinc/16/63/71/299166371.db2.gz DEHAUYBLLYJRPJ-UKRRQHHQSA-N 1 1 318.373 2.604 20 5 DFBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072698133 398631721 /nfs/dbraw/zinc/63/17/21/398631721.db2.gz OYWIBCPDLGKCGK-OCCSQVGLSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000072770427 398635817 /nfs/dbraw/zinc/63/58/17/398635817.db2.gz NPUDAGSOFFIYLX-UTUOFQBUSA-N 1 1 323.418 2.748 20 5 DFBDMO C[C@H]1C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000072871457 398643978 /nfs/dbraw/zinc/64/39/78/398643978.db2.gz DOXSPCUMUYLHPJ-UWVGGRQHSA-N 1 1 311.769 2.775 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000265992681 186351310 /nfs/dbraw/zinc/35/13/10/186351310.db2.gz GPAPQDRLZPLKHS-UHFFFAOYSA-N 1 1 320.389 2.866 20 5 DFBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC1CCCC1 ZINC000266854124 186360103 /nfs/dbraw/zinc/36/01/03/186360103.db2.gz JICKMQMAXKKNNB-VXGBXAGGSA-N 1 1 305.378 2.693 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000590693389 398652631 /nfs/dbraw/zinc/65/26/31/398652631.db2.gz URBFFDOZKSGWDV-RISCZKNCSA-N 1 1 300.362 2.895 20 5 DFBDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])nc1 ZINC000590754870 398667170 /nfs/dbraw/zinc/66/71/70/398667170.db2.gz QXONUIBKLWKJHV-UHFFFAOYSA-N 1 1 301.346 2.809 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000590762868 398669277 /nfs/dbraw/zinc/66/92/77/398669277.db2.gz BZAYIMGIRQQWJZ-KRWDZBQOSA-N 1 1 320.389 2.866 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C(C1CC1)C1CC1 ZINC000072584609 191198312 /nfs/dbraw/zinc/19/83/12/191198312.db2.gz UXIJLBMKKLJDDB-UHFFFAOYSA-N 1 1 317.389 2.962 20 5 DFBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000045951132 398690147 /nfs/dbraw/zinc/69/01/47/398690147.db2.gz LKKQORYBMGJLHO-STQMWFEESA-N 1 1 320.393 2.979 20 5 DFBDMO CCc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000174241539 198309651 /nfs/dbraw/zinc/30/96/51/198309651.db2.gz SWRGTUKFFIHGBJ-ZDUSSCGKSA-N 1 1 319.405 2.571 20 5 DFBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000597857651 398705232 /nfs/dbraw/zinc/70/52/32/398705232.db2.gz HWKVFBWPRDOGRQ-GFCCVEGCSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000174473711 198338200 /nfs/dbraw/zinc/33/82/00/198338200.db2.gz YDBKLXCQPRLRKS-YPMHNXCESA-N 1 1 320.393 2.850 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597861473 398706079 /nfs/dbraw/zinc/70/60/79/398706079.db2.gz UUXQFISVVPXABD-ZDUSSCGKSA-N 1 1 319.405 2.814 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597859307 398706209 /nfs/dbraw/zinc/70/62/09/398706209.db2.gz UCMYWRCMGZKVTE-ZDUSSCGKSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000590970315 398711214 /nfs/dbraw/zinc/71/12/14/398711214.db2.gz QKBBCOACKVWRRT-HOTGVXAUSA-N 1 1 302.374 2.904 20 5 DFBDMO C[N@H+](Cc1cccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046701905 398715708 /nfs/dbraw/zinc/71/57/08/398715708.db2.gz KKNVXYPKAGGVDY-ZDUSSCGKSA-N 1 1 322.386 2.528 20 5 DFBDMO C[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597921456 398721202 /nfs/dbraw/zinc/72/12/02/398721202.db2.gz FQVHUMAVUKFHAQ-GXTWGEPZSA-N 1 1 319.405 2.687 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591151373 398732568 /nfs/dbraw/zinc/73/25/68/398732568.db2.gz KSJZGCGJSANNQY-CQSZACIVSA-N 1 1 302.309 2.728 20 5 DFBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591151373 398732571 /nfs/dbraw/zinc/73/25/71/398732571.db2.gz KSJZGCGJSANNQY-CQSZACIVSA-N 1 1 302.309 2.728 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000594053113 398733069 /nfs/dbraw/zinc/73/30/69/398733069.db2.gz LTAKKDLDPXFRHT-HNNXBMFYSA-N 1 1 319.405 2.801 20 5 DFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594056131 398733853 /nfs/dbraw/zinc/73/38/53/398733853.db2.gz RDPLVQAXFIOTCX-CABCVRRESA-N 1 1 318.377 2.733 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1 ZINC000591357455 398752196 /nfs/dbraw/zinc/75/21/96/398752196.db2.gz QYISHWLYVYEGGN-TUAOUCFPSA-N 1 1 306.362 2.858 20 5 DFBDMO Cc1cccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594199265 398764173 /nfs/dbraw/zinc/76/41/73/398764173.db2.gz ITCYHRGERCJEHL-HUUCEWRRSA-N 1 1 317.389 2.650 20 5 DFBDMO CC1(C)C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2cc([N+](=O)[O-])ccc21 ZINC000591579970 398773979 /nfs/dbraw/zinc/77/39/79/398773979.db2.gz BRDRJOKVNWACPR-ZIBATOQPSA-N 1 1 307.369 2.607 20 5 DFBDMO CCOc1cc(CN2CC[N@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000276940893 213190837 /nfs/dbraw/zinc/19/08/37/213190837.db2.gz SGPJRULZMZFNKU-OAHLLOKOSA-N 1 1 319.405 2.664 20 5 DFBDMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135233985 283212104 /nfs/dbraw/zinc/21/21/04/283212104.db2.gz COVDWTZDLKPKBK-HNNXBMFYSA-N 1 1 322.405 2.735 20 5 DFBDMO CCOc1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000276926527 213181105 /nfs/dbraw/zinc/18/11/05/213181105.db2.gz QAKNIFLWPGXDBE-OAHLLOKOSA-N 1 1 321.421 2.767 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000075721898 398820058 /nfs/dbraw/zinc/82/00/58/398820058.db2.gz PPHLOBYIZABZGW-JTQLQIEISA-N 1 1 317.305 2.610 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000075685351 398817860 /nfs/dbraw/zinc/81/78/60/398817860.db2.gz XOXZJHIZSXZOMM-QWHCGFSZSA-N 1 1 305.378 2.633 20 5 DFBDMO O=[N+]([O-])c1c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc2sccn21 ZINC000594598029 398827426 /nfs/dbraw/zinc/82/74/26/398827426.db2.gz FYSRZGLFXOUPRT-GHMZBOCLSA-N 1 1 321.406 2.733 20 5 DFBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000598561440 398832130 /nfs/dbraw/zinc/83/21/30/398832130.db2.gz QYCDDQMCOIAUFI-LBPRGKRZSA-N 1 1 323.418 2.508 20 5 DFBDMO C[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180188571 199128887 /nfs/dbraw/zinc/12/88/87/199128887.db2.gz XSXPGHXPALJFCI-INIZCTEOSA-N 1 1 302.330 2.812 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000594736597 398852341 /nfs/dbraw/zinc/85/23/41/398852341.db2.gz SPOCSQIJGFAJIR-AWEZNQCLSA-N 1 1 321.396 2.946 20 5 DFBDMO CCOc1ccc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cc1[N+](=O)[O-] ZINC000153056068 283350922 /nfs/dbraw/zinc/35/09/22/283350922.db2.gz DDZXWONEGPOAPZ-BLLLJJGKSA-N 1 1 321.421 2.984 20 5 DFBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000053365400 398869455 /nfs/dbraw/zinc/86/94/55/398869455.db2.gz NBMKSGQDSLRRIR-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCC(C)C ZINC000053363681 398869491 /nfs/dbraw/zinc/86/94/91/398869491.db2.gz OCAFRBLFMUZHQQ-UHFFFAOYSA-N 1 1 309.366 2.520 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594956559 398881366 /nfs/dbraw/zinc/88/13/66/398881366.db2.gz LKPGAODXDCMFKS-CQSZACIVSA-N 1 1 321.421 2.956 20 5 DFBDMO Cc1noc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000053639359 398878881 /nfs/dbraw/zinc/87/88/81/398878881.db2.gz SHKXWCNQFGVTSA-UHFFFAOYSA-N 1 1 302.334 2.666 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000139184902 398882065 /nfs/dbraw/zinc/88/20/65/398882065.db2.gz XREWLKCFFRUYEB-CYBMUJFWSA-N 1 1 319.405 2.716 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004659 398890255 /nfs/dbraw/zinc/89/02/55/398890255.db2.gz QXAAWBFYBCSFHC-OCCSQVGLSA-N 1 1 307.394 2.738 20 5 DFBDMO CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004659 398890257 /nfs/dbraw/zinc/89/02/57/398890257.db2.gz QXAAWBFYBCSFHC-OCCSQVGLSA-N 1 1 307.394 2.738 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCCn1ccnc1 ZINC000181112602 199253722 /nfs/dbraw/zinc/25/37/22/199253722.db2.gz JROBNKZEHPIZIV-UHFFFAOYSA-N 1 1 318.377 2.582 20 5 DFBDMO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008197 398891089 /nfs/dbraw/zinc/89/10/89/398891089.db2.gz BUTWJPOBSRHMLF-QWHCGFSZSA-N 1 1 307.394 2.596 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000595011941 398891609 /nfs/dbraw/zinc/89/16/09/398891609.db2.gz DCLWJEBDACQTTM-WDEREUQCSA-N 1 1 323.393 2.557 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000175058275 283397175 /nfs/dbraw/zinc/39/71/75/283397175.db2.gz QMTDSBSYFFVVEA-QWHCGFSZSA-N 1 1 307.369 2.793 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000595015976 398892534 /nfs/dbraw/zinc/89/25/34/398892534.db2.gz FRXKYJPOWWSUBW-CHWSQXEVSA-N 1 1 307.394 2.596 20 5 DFBDMO COc1cc(N2CC[NH+](C(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000141193180 398893952 /nfs/dbraw/zinc/89/39/52/398893952.db2.gz KKISQAWGOYUBSX-UHFFFAOYSA-N 1 1 313.785 2.787 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1c(C)nn(C)c1C ZINC000595037369 398895851 /nfs/dbraw/zinc/89/58/51/398895851.db2.gz MJOZQUQISICDSR-JTQLQIEISA-N 1 1 318.377 2.805 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186841582 200020036 /nfs/dbraw/zinc/02/00/36/200020036.db2.gz WEHZOTMMVXENTH-UHFFFAOYSA-N 1 1 322.430 2.735 20 5 DFBDMO COC(=O)[C@@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470179528 299293102 /nfs/dbraw/zinc/29/31/02/299293102.db2.gz YLGYZPZEZFVJOX-BMQCOBNYSA-N 1 1 318.373 2.883 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599044553 398912231 /nfs/dbraw/zinc/91/22/31/398912231.db2.gz ZQVIAQVOAVAJPK-LBPRGKRZSA-N 1 1 300.362 2.897 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000187908311 200175343 /nfs/dbraw/zinc/17/53/43/200175343.db2.gz XPCDFYVGEOTKJA-GFCCVEGCSA-N 1 1 305.378 2.964 20 5 DFBDMO COC(=O)CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)C ZINC000595297206 398918962 /nfs/dbraw/zinc/91/89/62/398918962.db2.gz CGFSMXDZRWTRQD-UHFFFAOYSA-N 1 1 312.341 2.755 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333470 398923669 /nfs/dbraw/zinc/92/36/69/398923669.db2.gz UHVCFRWCZMTDPF-AWEZNQCLSA-N 1 1 321.396 2.898 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000595343771 398924888 /nfs/dbraw/zinc/92/48/88/398924888.db2.gz DTBOUNJSOXHPSY-OAHLLOKOSA-N 1 1 324.352 2.504 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000595344434 398925152 /nfs/dbraw/zinc/92/51/52/398925152.db2.gz DZOMXEPQMYCWOB-XJKSGUPXSA-N 1 1 308.353 2.861 20 5 DFBDMO C[N@H+]1CCCC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000599138637 398927255 /nfs/dbraw/zinc/92/72/55/398927255.db2.gz IBPCJMWWFXFGDP-SNVBAGLBSA-N 1 1 321.406 2.743 20 5 DFBDMO Cc1noc(C[NH2+]C2(c3ccccc3)CCOCC2)c1[N+](=O)[O-] ZINC000595373211 398928811 /nfs/dbraw/zinc/92/88/11/398928811.db2.gz YNUSWCBTLZTKOJ-UHFFFAOYSA-N 1 1 317.345 2.687 20 5 DFBDMO COc1ccc2c(c1)CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595391108 398931421 /nfs/dbraw/zinc/93/14/21/398931421.db2.gz DUZJMVSOQVZMSU-UHFFFAOYSA-N 1 1 317.345 2.501 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000189251788 200370942 /nfs/dbraw/zinc/37/09/42/200370942.db2.gz KIGNDUYFVWZUBJ-BMIGLBTASA-N 1 1 312.341 2.599 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000189251788 200370944 /nfs/dbraw/zinc/37/09/44/200370944.db2.gz KIGNDUYFVWZUBJ-BMIGLBTASA-N 1 1 312.341 2.599 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595424201 398935531 /nfs/dbraw/zinc/93/55/31/398935531.db2.gz ULKDHIOTESVIJX-STQMWFEESA-N 1 1 309.366 2.530 20 5 DFBDMO COc1cccc([C@H](CO)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595432415 398937487 /nfs/dbraw/zinc/93/74/87/398937487.db2.gz UZLRZUKBUIHWIX-HNNXBMFYSA-N 1 1 320.320 2.566 20 5 DFBDMO CCC1CCC([N@H+](CCO)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595460463 398942811 /nfs/dbraw/zinc/94/28/11/398942811.db2.gz HQTHNIWLABVZMV-UHFFFAOYSA-N 1 1 311.382 2.654 20 5 DFBDMO CCC1CCC([N@@H+](CCO)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595460463 398942813 /nfs/dbraw/zinc/94/28/13/398942813.db2.gz HQTHNIWLABVZMV-UHFFFAOYSA-N 1 1 311.382 2.654 20 5 DFBDMO CCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000155425763 398946076 /nfs/dbraw/zinc/94/60/76/398946076.db2.gz QHOOYPVZPNBPTK-CYBMUJFWSA-N 1 1 324.377 2.613 20 5 DFBDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000155425763 398946078 /nfs/dbraw/zinc/94/60/78/398946078.db2.gz QHOOYPVZPNBPTK-CYBMUJFWSA-N 1 1 324.377 2.613 20 5 DFBDMO Cc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000595485717 398948460 /nfs/dbraw/zinc/94/84/60/398948460.db2.gz WVURRMLAPSUION-UHFFFAOYSA-N 1 1 300.362 2.676 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000078332758 398948755 /nfs/dbraw/zinc/94/87/55/398948755.db2.gz VSZPCFPQGRQSNQ-MFKMUULPSA-N 1 1 312.801 2.810 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1nc2sccn2c1[N+](=O)[O-] ZINC000078455106 398957285 /nfs/dbraw/zinc/95/72/85/398957285.db2.gz NDXLVTAUCUEPCW-NSHDSACASA-N 1 1 323.422 2.615 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000194766939 201285792 /nfs/dbraw/zinc/28/57/92/201285792.db2.gz HXHCEARTMRQAIH-AGUYFDCRSA-N 1 1 317.389 2.648 20 5 DFBDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595592504 398989851 /nfs/dbraw/zinc/98/98/51/398989851.db2.gz FGPCJBOQVRMFOG-LLVKDONJSA-N 1 1 309.366 2.662 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194706736 201275334 /nfs/dbraw/zinc/27/53/34/201275334.db2.gz RYBDMDBQACBUSI-CQSZACIVSA-N 1 1 319.405 2.898 20 5 DFBDMO CSCCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000281551471 216378948 /nfs/dbraw/zinc/37/89/48/216378948.db2.gz XMLSZYXRCIWXEP-UHFFFAOYSA-N 1 1 322.390 2.830 20 5 DFBDMO CSCCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000281551471 216378950 /nfs/dbraw/zinc/37/89/50/216378950.db2.gz XMLSZYXRCIWXEP-UHFFFAOYSA-N 1 1 322.390 2.830 20 5 DFBDMO CCC[C@@]1(COC)CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000194922707 201311844 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C[N@H+]1CCCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000600683684 399116823 /nfs/dbraw/zinc/11/68/23/399116823.db2.gz QWGCKQLUFUBOHQ-LLVKDONJSA-N 1 1 324.356 2.587 20 5 DFBDMO CCCCC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595869440 399118049 /nfs/dbraw/zinc/11/80/49/399118049.db2.gz AWHLPJZWJIOZLX-ZBFHGGJFSA-N 1 1 324.425 2.587 20 5 DFBDMO CCOCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000093316092 193230265 /nfs/dbraw/zinc/23/02/65/193230265.db2.gz YSBBOXDZTUKIEF-LLVKDONJSA-N 1 1 320.349 2.674 20 5 DFBDMO CCOCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000093316092 193230267 /nfs/dbraw/zinc/23/02/67/193230267.db2.gz YSBBOXDZTUKIEF-LLVKDONJSA-N 1 1 320.349 2.674 20 5 DFBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000093614700 193274343 /nfs/dbraw/zinc/27/43/43/193274343.db2.gz WZEVCVLUKZGRFF-INCBCAAFSA-N 1 1 301.390 2.777 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000093939053 193329940 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O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277878885 213833613 /nfs/dbraw/zinc/83/36/13/213833613.db2.gz VEQVSAJGGOWLOQ-YPMHNXCESA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c(OC(F)F)c1 ZINC000596091481 399169881 /nfs/dbraw/zinc/16/98/81/399169881.db2.gz KVQTUDAEHNCTJG-SECBINFHSA-N 1 1 313.304 2.845 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1 ZINC000282560580 217089748 /nfs/dbraw/zinc/08/97/48/217089748.db2.gz YHERGBOPFZMFOB-KRWDZBQOSA-N 1 1 300.358 2.803 20 5 DFBDMO COc1cc(N[C@H]2CCc3[nH+]ccn3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596100042 399173249 /nfs/dbraw/zinc/17/32/49/399173249.db2.gz ZLZGNVAFJOPWOC-VIFPVBQESA-N 1 1 322.752 2.880 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000266169939 205155743 /nfs/dbraw/zinc/15/57/43/205155743.db2.gz QNZWNDHCETUACS-CQSZACIVSA-N 1 1 319.405 2.850 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080961796 399196377 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O=[N+]([O-])c1ccc2[nH+]ccc(NCCOCC(F)(F)F)c2c1 ZINC000601102641 399227849 /nfs/dbraw/zinc/22/78/49/399227849.db2.gz BRKQNCSRSYLVIV-UHFFFAOYSA-N 1 1 315.251 2.556 20 5 DFBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000267398351 206037959 /nfs/dbraw/zinc/03/79/59/206037959.db2.gz WQLBQMSIOBRIBR-NSHDSACASA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@H]2C1 ZINC000267398351 206037961 /nfs/dbraw/zinc/03/79/61/206037961.db2.gz WQLBQMSIOBRIBR-NSHDSACASA-N 1 1 323.780 2.559 20 5 DFBDMO C[C@@H](C[C@@H]1CCOC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601130568 399236718 /nfs/dbraw/zinc/23/67/18/399236718.db2.gz WHNVBYRIOMXLHM-RYUDHWBXSA-N 1 1 301.346 2.792 20 5 DFBDMO CN(C[C@@H]1CCC[C@H]1O)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601134837 399236934 /nfs/dbraw/zinc/23/69/34/399236934.db2.gz IMUJXELWACQXBN-MEDUHNTESA-N 1 1 301.346 2.740 20 5 DFBDMO CON1CCC(N(C)c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601172575 399246894 /nfs/dbraw/zinc/24/68/94/399246894.db2.gz BFNMMVWCVDKYJT-UHFFFAOYSA-N 1 1 316.361 2.605 20 5 DFBDMO CC[C@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601176616 399248494 /nfs/dbraw/zinc/24/84/94/399248494.db2.gz XWSSMSSNZVOTOF-AAEUAGOBSA-N 1 1 301.346 2.934 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H]4CC[C@H](O)C[C@@H]4C3)c2c1 ZINC000601177176 399249236 /nfs/dbraw/zinc/24/92/36/399249236.db2.gz WISCXIJDJDBYNW-SCRDCRAPSA-N 1 1 313.357 2.740 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000421362901 296248320 /nfs/dbraw/zinc/24/83/20/296248320.db2.gz OHCLKUOQAVJHMB-NZTAJPAGSA-N 1 1 304.390 2.948 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609157455 399307272 /nfs/dbraw/zinc/30/72/72/399307272.db2.gz RFPHOTUCNGFZRB-MRXNPFEDSA-N 1 1 300.362 2.671 20 5 DFBDMO CCOC(=O)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000609144630 399305806 /nfs/dbraw/zinc/30/58/06/399305806.db2.gz NQRGSVSZKUKQEU-UHFFFAOYSA-N 1 1 324.352 2.899 20 5 DFBDMO CCOC(=O)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000609144630 399305809 /nfs/dbraw/zinc/30/58/09/399305809.db2.gz NQRGSVSZKUKQEU-UHFFFAOYSA-N 1 1 324.352 2.899 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421778668 296274975 /nfs/dbraw/zinc/27/49/75/296274975.db2.gz HYLFFBGOXMPTES-UHFFFAOYSA-N 1 1 307.394 2.673 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284787405 218178238 /nfs/dbraw/zinc/17/82/38/218178238.db2.gz NTYXCGLZNVLHEH-HZPDHXFCSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000610391387 399363042 /nfs/dbraw/zinc/36/30/42/399363042.db2.gz DTSIQVGYQKOLQL-GXTWGEPZSA-N 1 1 313.361 2.632 20 5 DFBDMO C[C@H]1c2ccc(F)cc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610447888 399368538 /nfs/dbraw/zinc/36/85/38/399368538.db2.gz CLRLLBZERPQYFE-NSHDSACASA-N 1 1 304.325 2.550 20 5 DFBDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610447888 399368542 /nfs/dbraw/zinc/36/85/42/399368542.db2.gz CLRLLBZERPQYFE-NSHDSACASA-N 1 1 304.325 2.550 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)C[C@@H]1CCOC1 ZINC000610476216 399370798 /nfs/dbraw/zinc/37/07/98/399370798.db2.gz CTUNIIQVADABBD-ZDUSSCGKSA-N 1 1 308.378 2.852 20 5 DFBDMO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026866 218261990 /nfs/dbraw/zinc/26/19/90/218261990.db2.gz HQAJMSNPIHQSFR-NOZJJQNGSA-N 1 1 301.350 2.628 20 5 DFBDMO CCOc1cc(N[C@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000610517332 399375938 /nfs/dbraw/zinc/37/59/38/399375938.db2.gz XHCIUONYYGDVLZ-LBPRGKRZSA-N 1 1 302.334 2.617 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000610585494 399383733 /nfs/dbraw/zinc/38/37/33/399383733.db2.gz QZLDBBPTEDAAKG-IUODEOHRSA-N 1 1 303.362 2.716 20 5 DFBDMO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C[NH3+] ZINC000602021635 399385851 /nfs/dbraw/zinc/38/58/51/399385851.db2.gz QTNQYQQWOOBGJG-OCCSQVGLSA-N 1 1 315.373 2.881 20 5 DFBDMO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000602022237 399385813 /nfs/dbraw/zinc/38/58/13/399385813.db2.gz SBUIBHINYGYJQP-CHWSQXEVSA-N 1 1 315.373 2.881 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000615833499 399387233 /nfs/dbraw/zinc/38/72/33/399387233.db2.gz SYJCTYQDNGNQCP-GXDHUFHOSA-N 1 1 317.389 2.552 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)N1CCCC1 ZINC000615833499 399387238 /nfs/dbraw/zinc/38/72/38/399387238.db2.gz SYJCTYQDNGNQCP-GXDHUFHOSA-N 1 1 317.389 2.552 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000110490023 194333674 /nfs/dbraw/zinc/33/36/74/194333674.db2.gz NNFPNXURNYTHQR-VXGBXAGGSA-N 1 1 311.769 2.523 20 5 DFBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000112080151 194429781 /nfs/dbraw/zinc/42/97/81/194429781.db2.gz FTWNCUFTNDMBEM-GFCCVEGCSA-N 1 1 300.362 2.531 20 5 DFBDMO C[N@@H+](CCOC(C)(C)C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610859916 399413243 /nfs/dbraw/zinc/41/32/43/399413243.db2.gz VGIYXQZHWQEFTF-UHFFFAOYSA-N 1 1 323.393 2.670 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000616121605 399424262 /nfs/dbraw/zinc/42/42/62/399424262.db2.gz OZFGUVYJMZPARG-OCCSQVGLSA-N 1 1 320.393 2.673 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000611088334 399433990 /nfs/dbraw/zinc/43/39/90/399433990.db2.gz QCUOLXBFCDBIRN-LLVKDONJSA-N 1 1 317.345 2.507 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000611088334 399433994 /nfs/dbraw/zinc/43/39/94/399433994.db2.gz QCUOLXBFCDBIRN-LLVKDONJSA-N 1 1 317.345 2.507 20 5 DFBDMO C[C@H]1COCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171997 399441256 /nfs/dbraw/zinc/44/12/56/399441256.db2.gz WISFHUGQDGZKSG-LBPRGKRZSA-N 1 1 317.345 2.861 20 5 DFBDMO C[C@H]1COCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171997 399441259 /nfs/dbraw/zinc/44/12/59/399441259.db2.gz WISFHUGQDGZKSG-LBPRGKRZSA-N 1 1 317.345 2.861 20 5 DFBDMO O=C(CC[N@H+]1CC[C@@H](C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611180506 399443053 /nfs/dbraw/zinc/44/30/53/399443053.db2.gz YSQODWKGQWLZBQ-SNVBAGLBSA-N 1 1 313.304 2.510 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179882 399443230 /nfs/dbraw/zinc/44/32/30/399443230.db2.gz MOPONNVRPMBGHW-VHSXEESVSA-N 1 1 313.304 2.509 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179882 399443235 /nfs/dbraw/zinc/44/32/35/399443235.db2.gz MOPONNVRPMBGHW-VHSXEESVSA-N 1 1 313.304 2.509 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCC(O)CC1 ZINC000602435665 399443480 /nfs/dbraw/zinc/44/34/80/399443480.db2.gz RHXQJIDLURNFPB-UHFFFAOYSA-N 1 1 304.268 2.570 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC2(CC2)CC1 ZINC000611177595 399442015 /nfs/dbraw/zinc/44/20/15/399442015.db2.gz NTXLTMQFSIYADF-UHFFFAOYSA-N 1 1 303.362 2.718 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](C(F)F)C3)o2)cc1 ZINC000611179585 399442125 /nfs/dbraw/zinc/44/21/25/399442125.db2.gz FLNXHEDAKJXEME-JTQLQIEISA-N 1 1 324.287 2.732 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](C(F)F)C3)o2)cc1 ZINC000611179585 399442126 /nfs/dbraw/zinc/44/21/26/399442126.db2.gz FLNXHEDAKJXEME-JTQLQIEISA-N 1 1 324.287 2.732 20 5 DFBDMO CC[N@H+](CC(=O)N(C)C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611254570 399451701 /nfs/dbraw/zinc/45/17/01/399451701.db2.gz MGKXZDXMFKLBSG-UHFFFAOYSA-N 1 1 307.394 2.628 20 5 DFBDMO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611254570 399451703 /nfs/dbraw/zinc/45/17/03/399451703.db2.gz MGKXZDXMFKLBSG-UHFFFAOYSA-N 1 1 307.394 2.628 20 5 DFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1ccccc1-n1cncn1 ZINC000611254752 399451936 /nfs/dbraw/zinc/45/19/36/399451936.db2.gz GDEVMZLNZVYJGZ-UHFFFAOYSA-N 1 1 323.356 2.808 20 5 DFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1ccccc1-n1cncn1 ZINC000611254752 399451938 /nfs/dbraw/zinc/45/19/38/399451938.db2.gz GDEVMZLNZVYJGZ-UHFFFAOYSA-N 1 1 323.356 2.808 20 5 DFBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000611201659 399444845 /nfs/dbraw/zinc/44/48/45/399444845.db2.gz SISIRNRVDHMOKB-NSHDSACASA-N 1 1 323.418 2.531 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611272176 399455406 /nfs/dbraw/zinc/45/54/06/399455406.db2.gz VWUGQNRGUZMHLX-NEPJUHHUSA-N 1 1 306.362 2.844 20 5 DFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272290 399455448 /nfs/dbraw/zinc/45/54/48/399455448.db2.gz HCNSKZZIEJGCRG-WCQYABFASA-N 1 1 306.362 2.986 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](C3CC3)C1)OCCO2 ZINC000611274771 399456488 /nfs/dbraw/zinc/45/64/88/399456488.db2.gz AOAVTHVZHZXCTI-LBPRGKRZSA-N 1 1 304.346 2.598 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](C3CC3)C1)OCCO2 ZINC000611274770 399456793 /nfs/dbraw/zinc/45/67/93/399456793.db2.gz AOAVTHVZHZXCTI-GFCCVEGCSA-N 1 1 304.346 2.598 20 5 DFBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478978 399457565 /nfs/dbraw/zinc/45/75/65/399457565.db2.gz WHCUEYLTJIIHPL-WCQYABFASA-N 1 1 318.352 2.845 20 5 DFBDMO CN1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602504036 399462589 /nfs/dbraw/zinc/46/25/89/399462589.db2.gz RCOJFFVDWCSLKZ-UHFFFAOYSA-N 1 1 317.311 2.797 20 5 DFBDMO CC1CCN(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602515891 399465864 /nfs/dbraw/zinc/46/58/64/399465864.db2.gz SSDIWYNWJFVRSI-UHFFFAOYSA-N 1 1 318.377 2.558 20 5 DFBDMO Cc1cc[nH+]c(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602521004 399467275 /nfs/dbraw/zinc/46/72/75/399467275.db2.gz MEVJCCZOXPDVAH-UHFFFAOYSA-N 1 1 313.361 2.774 20 5 DFBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000065281500 184320659 /nfs/dbraw/zinc/32/06/59/184320659.db2.gz LCRNSXCDRQOKEF-ZDUSSCGKSA-N 1 1 308.378 2.863 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066186407 184395825 /nfs/dbraw/zinc/39/58/25/184395825.db2.gz QGEMRPTTYKPRQQ-OLZOCXBDSA-N 1 1 322.409 2.685 20 5 DFBDMO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501480 399483411 /nfs/dbraw/zinc/48/34/11/399483411.db2.gz CPDIYMPVIQCXPM-DGCLKSJQSA-N 1 1 312.341 2.662 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501480 399483412 /nfs/dbraw/zinc/48/34/12/399483412.db2.gz CPDIYMPVIQCXPM-DGCLKSJQSA-N 1 1 312.341 2.662 20 5 DFBDMO COc1cc(CN2CCC[C@@H]2[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000611515643 399485712 /nfs/dbraw/zinc/48/57/12/399485712.db2.gz DKAQEWITVJUQSO-HUUCEWRRSA-N 1 1 319.405 2.662 20 5 DFBDMO C[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C ZINC000602594754 399486252 /nfs/dbraw/zinc/48/62/52/399486252.db2.gz SYCTYPWNYWXKFL-SECBINFHSA-N 1 1 305.300 2.653 20 5 DFBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC=CCC1 ZINC000611517589 399486545 /nfs/dbraw/zinc/48/65/45/399486545.db2.gz ULIIXQIIXVFXFO-LLVKDONJSA-N 1 1 300.318 2.968 20 5 DFBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC=CCC1 ZINC000611517589 399486547 /nfs/dbraw/zinc/48/65/47/399486547.db2.gz ULIIXQIIXVFXFO-LLVKDONJSA-N 1 1 300.318 2.968 20 5 DFBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611515983 399486778 /nfs/dbraw/zinc/48/67/78/399486778.db2.gz XIIIZPICGWEMJO-ZDUSSCGKSA-N 1 1 322.361 2.521 20 5 DFBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602606313 399488579 /nfs/dbraw/zinc/48/85/79/399488579.db2.gz OWZIJGOQPVBZPX-VHSXEESVSA-N 1 1 318.295 2.816 20 5 DFBDMO Cc1cccc([C@@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)c1 ZINC000602607201 399488894 /nfs/dbraw/zinc/48/88/94/399488894.db2.gz IOHBKRLZGDFWPG-CQSZACIVSA-N 1 1 300.362 2.626 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000611555510 399491300 /nfs/dbraw/zinc/49/13/00/399491300.db2.gz UBOIMAXFRIPRQB-QWGSZXSUSA-N 1 1 312.373 2.969 20 5 DFBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1(CO)CC1 ZINC000602629357 399495859 /nfs/dbraw/zinc/49/58/59/399495859.db2.gz NHVVBWXHVBVEGU-UHFFFAOYSA-N 1 1 318.295 2.818 20 5 DFBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1(CO)CC1 ZINC000602629357 399495862 /nfs/dbraw/zinc/49/58/62/399495862.db2.gz NHVVBWXHVBVEGU-UHFFFAOYSA-N 1 1 318.295 2.818 20 5 DFBDMO COc1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611579312 399496417 /nfs/dbraw/zinc/49/64/17/399496417.db2.gz VJXNFBHMBKEKQN-LLVKDONJSA-N 1 1 316.304 2.807 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611579312 399496422 /nfs/dbraw/zinc/49/64/22/399496422.db2.gz VJXNFBHMBKEKQN-LLVKDONJSA-N 1 1 316.304 2.807 20 5 DFBDMO Cc1[nH+]ccn1[C@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616372 399499183 /nfs/dbraw/zinc/49/91/83/399499183.db2.gz JGFZFNZLXKOPJJ-AWEZNQCLSA-N 1 1 315.377 2.953 20 5 DFBDMO CCn1ccc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000616786362 399512710 /nfs/dbraw/zinc/51/27/10/399512710.db2.gz WDRHWFITQIEDBZ-UHFFFAOYSA-N 1 1 303.362 2.927 20 5 DFBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000119882767 195054337 /nfs/dbraw/zinc/05/43/37/195054337.db2.gz QXOWPXXYAQLIMF-LBPRGKRZSA-N 1 1 323.418 2.531 20 5 DFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](CO)CC(C)(C)C ZINC000602684687 399519141 /nfs/dbraw/zinc/51/91/41/399519141.db2.gz QUGVCOUWJPRZMW-GFCCVEGCSA-N 1 1 321.377 2.965 20 5 DFBDMO COC[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602686128 399520332 /nfs/dbraw/zinc/52/03/32/399520332.db2.gz OZNBBIQRXPOPPV-GFCCVEGCSA-N 1 1 305.334 2.737 20 5 DFBDMO COC[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602686128 399520339 /nfs/dbraw/zinc/52/03/39/399520339.db2.gz OZNBBIQRXPOPPV-GFCCVEGCSA-N 1 1 305.334 2.737 20 5 DFBDMO COc1cc(N(C)CCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000120201115 195117883 /nfs/dbraw/zinc/11/78/83/195117883.db2.gz DWJXEIAETVRNEH-UHFFFAOYSA-N 1 1 304.350 2.635 20 5 DFBDMO CC(=O)c1ccc(N[C@@H](C)C2=CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000273004213 210383308 /nfs/dbraw/zinc/38/33/08/210383308.db2.gz RMWLVDJUGMBQKA-NSHDSACASA-N 1 1 303.362 2.860 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000375747960 285119036 /nfs/dbraw/zinc/11/90/36/285119036.db2.gz FRTRWOXGAHPTSH-IACUBPJLSA-N 1 1 305.353 2.654 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)c2ccncc21 ZINC000360466422 285122995 /nfs/dbraw/zinc/12/29/95/285122995.db2.gz LZFWXIFQBDBEAZ-CYBMUJFWSA-N 1 1 312.373 2.818 20 5 DFBDMO Cc1c(C[NH2+][C@@](C)(CO)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000347713648 285141945 /nfs/dbraw/zinc/14/19/45/285141945.db2.gz BWHSXLSHXBVGKB-KRWDZBQOSA-N 1 1 316.357 2.606 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3cn[nH]c3C1)CCC2 ZINC000365735533 285144315 /nfs/dbraw/zinc/14/43/15/285144315.db2.gz LMGCRYOAOHMAPL-BBRMVZONSA-N 1 1 312.373 2.842 20 5 DFBDMO CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000157939715 197229450 /nfs/dbraw/zinc/22/94/50/197229450.db2.gz YZFPDKIPMHPCFW-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC000157962072 197231023 /nfs/dbraw/zinc/23/10/23/197231023.db2.gz SCGHJEFUTPMVGQ-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CCS[C@@H]1CCCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602784085 399572063 /nfs/dbraw/zinc/57/20/63/399572063.db2.gz MILIKUSSROEFMW-CYBMUJFWSA-N 1 1 312.439 2.707 20 5 DFBDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602783314 399572141 /nfs/dbraw/zinc/57/21/41/399572141.db2.gz KRTLXTMRZJKLIH-STQMWFEESA-N 1 1 312.439 2.706 20 5 DFBDMO NC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000423181718 296389402 /nfs/dbraw/zinc/38/94/02/296389402.db2.gz PIVDCUICBSSSEW-KBPBESRZSA-N 1 1 321.425 2.526 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000602787741 399572887 /nfs/dbraw/zinc/57/28/87/399572887.db2.gz JANPVKSUUPRGDV-UHFFFAOYSA-N 1 1 320.315 2.764 20 5 DFBDMO Cc1cccnc1[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602791501 399575490 /nfs/dbraw/zinc/57/54/90/399575490.db2.gz UUUWRBZOPWTSOM-CYBMUJFWSA-N 1 1 303.366 2.519 20 5 DFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccncc1Cl)CC2 ZINC000347777122 285169149 /nfs/dbraw/zinc/16/91/49/285169149.db2.gz BAYQALMCBYLHKG-UHFFFAOYSA-N 1 1 304.737 2.597 20 5 DFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccncc1Cl)CC2 ZINC000347777122 285169151 /nfs/dbraw/zinc/16/91/51/285169151.db2.gz BAYQALMCBYLHKG-UHFFFAOYSA-N 1 1 304.737 2.597 20 5 DFBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000602807596 399583604 /nfs/dbraw/zinc/58/36/04/399583604.db2.gz BOTOWWWJOIYJGO-SNVBAGLBSA-N 1 1 300.318 2.925 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000602815555 399587734 /nfs/dbraw/zinc/58/77/34/399587734.db2.gz LQLOTRRPKHQPRZ-JTQLQIEISA-N 1 1 320.315 2.763 20 5 DFBDMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602828358 399591442 /nfs/dbraw/zinc/59/14/42/399591442.db2.gz GLQNBESBVQZKLH-HNNXBMFYSA-N 1 1 318.377 2.920 20 5 DFBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602828358 399591447 /nfs/dbraw/zinc/59/14/47/399591447.db2.gz GLQNBESBVQZKLH-HNNXBMFYSA-N 1 1 318.377 2.920 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCc1ccccc1C ZINC000602836279 399594569 /nfs/dbraw/zinc/59/45/69/399594569.db2.gz MZQFEQYNFKWMSL-UHFFFAOYSA-N 1 1 302.378 2.583 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156566132 197123630 /nfs/dbraw/zinc/12/36/30/197123630.db2.gz RANWCFNHQSRJHY-BBRMVZONSA-N 1 1 300.362 2.874 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCc2ccccc2CC1 ZINC000602842142 399597348 /nfs/dbraw/zinc/59/73/48/399597348.db2.gz XNSGYCJIPNZYNR-UHFFFAOYSA-N 1 1 314.389 2.591 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000602857351 399605061 /nfs/dbraw/zinc/60/50/61/399605061.db2.gz VAUMPXPWUCWUDJ-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000602857351 399605064 /nfs/dbraw/zinc/60/50/64/399605064.db2.gz VAUMPXPWUCWUDJ-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000602872970 399611271 /nfs/dbraw/zinc/61/12/71/399611271.db2.gz FOWHEYCMSVKECO-MRXNPFEDSA-N 1 1 305.422 2.799 20 5 DFBDMO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000602872970 399611276 /nfs/dbraw/zinc/61/12/76/399611276.db2.gz FOWHEYCMSVKECO-MRXNPFEDSA-N 1 1 305.422 2.799 20 5 DFBDMO CN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000602872970 399611281 /nfs/dbraw/zinc/61/12/81/399611281.db2.gz FOWHEYCMSVKECO-MRXNPFEDSA-N 1 1 305.422 2.799 20 5 DFBDMO C[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000602875026 399611938 /nfs/dbraw/zinc/61/19/38/399611938.db2.gz XTMULBZVSANXLW-MRXNPFEDSA-N 1 1 321.421 2.636 20 5 DFBDMO CN1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000602875026 399611943 /nfs/dbraw/zinc/61/19/43/399611943.db2.gz XTMULBZVSANXLW-MRXNPFEDSA-N 1 1 321.421 2.636 20 5 DFBDMO CN1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000602875026 399611947 /nfs/dbraw/zinc/61/19/47/399611947.db2.gz XTMULBZVSANXLW-MRXNPFEDSA-N 1 1 321.421 2.636 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000602873647 399611548 /nfs/dbraw/zinc/61/15/48/399611548.db2.gz RNDKFPUMDCOOMK-ZDUSSCGKSA-N 1 1 322.409 2.523 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271610530 209057863 /nfs/dbraw/zinc/05/78/63/209057863.db2.gz KKQQZOZOGNVKPL-KGLIPLIRSA-N 1 1 319.405 2.892 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000602903949 399621367 /nfs/dbraw/zinc/62/13/67/399621367.db2.gz TYPWWZUYSVFRDC-OAHLLOKOSA-N 1 1 315.377 2.578 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000602903949 399621368 /nfs/dbraw/zinc/62/13/68/399621368.db2.gz TYPWWZUYSVFRDC-OAHLLOKOSA-N 1 1 315.377 2.578 20 5 DFBDMO Cc1cnn([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000289716571 221174656 /nfs/dbraw/zinc/17/46/56/221174656.db2.gz CPNJZYNDNSDQDX-MRXNPFEDSA-N 1 1 300.362 2.589 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000289834926 221257251 /nfs/dbraw/zinc/25/72/51/221257251.db2.gz UBPFPVZFFLDMEK-LBPRGKRZSA-N 1 1 307.394 2.753 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289874686 221285350 /nfs/dbraw/zinc/28/53/50/221285350.db2.gz LZKPSVXJXYVGRX-CQSZACIVSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289874686 221285354 /nfs/dbraw/zinc/28/53/54/221285354.db2.gz LZKPSVXJXYVGRX-CQSZACIVSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289929574 221323502 /nfs/dbraw/zinc/32/35/02/221323502.db2.gz PAHAWKRREWXCRV-CYBMUJFWSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289929574 221323504 /nfs/dbraw/zinc/32/35/04/221323504.db2.gz PAHAWKRREWXCRV-CYBMUJFWSA-N 1 1 306.753 2.892 20 5 DFBDMO CC1(F)CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000602992225 399652725 /nfs/dbraw/zinc/65/27/25/399652725.db2.gz COCLYDPNVYKBSN-UHFFFAOYSA-N 1 1 320.324 2.969 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(F)CC1 ZINC000602993293 399652913 /nfs/dbraw/zinc/65/29/13/399652913.db2.gz WSNAALSPZRSKFA-LLVKDONJSA-N 1 1 309.341 2.746 20 5 DFBDMO CC1(F)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000602992957 399653093 /nfs/dbraw/zinc/65/30/93/399653093.db2.gz LIPPCOKGLIQBGN-AWEZNQCLSA-N 1 1 321.352 2.524 20 5 DFBDMO C[C@@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[N@H+]1C1CC1 ZINC000612447834 399654157 /nfs/dbraw/zinc/65/41/57/399654157.db2.gz XQLBILRMXGRGCF-GHMZBOCLSA-N 1 1 313.361 2.575 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 ZINC000602997250 399654394 /nfs/dbraw/zinc/65/43/94/399654394.db2.gz GIZLUFQMWQDKSR-IKGGRYGDSA-N 1 1 304.390 2.763 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC000602997260 399654399 /nfs/dbraw/zinc/65/43/99/399654399.db2.gz GQCRKRHBGZNKSK-IKGGRYGDSA-N 1 1 320.389 2.599 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997827 399654468 /nfs/dbraw/zinc/65/44/68/399654468.db2.gz RUCXVDUJTFWTCV-FMKPAKJESA-N 1 1 320.389 2.599 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@H]1C1CC1 ZINC000602974502 399644110 /nfs/dbraw/zinc/64/41/10/399644110.db2.gz PFSLRUFHFPONNQ-CVEARBPZSA-N 1 1 320.389 2.727 20 5 DFBDMO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000612586718 399683241 /nfs/dbraw/zinc/68/32/41/399683241.db2.gz HMFFGXLYFCNJOY-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000612586718 399683245 /nfs/dbraw/zinc/68/32/45/399683245.db2.gz HMFFGXLYFCNJOY-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO CC[NH+](CC)Cc1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185552 399705116 /nfs/dbraw/zinc/70/51/16/399705116.db2.gz IKSKJEOKOCVKSK-LBPRGKRZSA-N 1 1 303.366 2.637 20 5 DFBDMO Cc1c(Cn2cc(C[NH+]3CCCCC3)nn2)cccc1[N+](=O)[O-] ZINC000603194485 399707080 /nfs/dbraw/zinc/70/70/80/399707080.db2.gz DJHLYEWDFSYHJG-UHFFFAOYSA-N 1 1 315.377 2.529 20 5 DFBDMO Cc1nn(C[C@@H]2CCCC[N@@H+]2C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000603327621 399744781 /nfs/dbraw/zinc/74/47/81/399744781.db2.gz OIZWPRJQZISBHW-ZDUSSCGKSA-N 1 1 317.393 2.911 20 5 DFBDMO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1=CC[N@@H+](C)CC1 ZINC000294921658 533565180 /nfs/dbraw/zinc/56/51/80/533565180.db2.gz ILESHWPDOVONTO-SNVBAGLBSA-N 1 1 301.350 2.533 20 5 DFBDMO Cc1cc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000603415173 399771243 /nfs/dbraw/zinc/77/12/43/399771243.db2.gz HTKZTVIRFOQRNI-HOTGVXAUSA-N 1 1 324.384 2.761 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269370614 296500105 /nfs/dbraw/zinc/50/01/05/296500105.db2.gz MBFZSFRNPUJTTA-SECBINFHSA-N 1 1 307.741 2.750 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000353589797 146680028 /nfs/dbraw/zinc/68/00/28/146680028.db2.gz HPPDWTQQSCINBK-OCCSQVGLSA-N 1 1 318.402 2.513 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000604553966 399855784 /nfs/dbraw/zinc/85/57/84/399855784.db2.gz IDQQRSSJTWVGQJ-AWEZNQCLSA-N 1 1 316.361 2.708 20 5 DFBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](Nc1cccnc1[N+](=O)[O-])C2 ZINC000604551074 399854412 /nfs/dbraw/zinc/85/44/12/399854412.db2.gz WHNQXOOMVBJKPO-LLVKDONJSA-N 1 1 315.377 2.911 20 5 DFBDMO Cn1cc([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC000604556635 399855079 /nfs/dbraw/zinc/85/50/79/399855079.db2.gz HFIZLURLPPWCHK-GFCCVEGCSA-N 1 1 306.391 2.769 20 5 DFBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC000604556635 399855085 /nfs/dbraw/zinc/85/50/85/399855085.db2.gz HFIZLURLPPWCHK-GFCCVEGCSA-N 1 1 306.391 2.769 20 5 DFBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000052908454 425886359 /nfs/dbraw/zinc/88/63/59/425886359.db2.gz FKAZEMWPMDCJCS-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000072827155 145191451 /nfs/dbraw/zinc/19/14/51/145191451.db2.gz LFSZTERGVQXUCV-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000072827155 145191454 /nfs/dbraw/zinc/19/14/54/145191454.db2.gz LFSZTERGVQXUCV-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[N@H+](C3CC3)CC2)c1 ZINC000172237835 145297424 /nfs/dbraw/zinc/29/74/24/145297424.db2.gz VDKJHMYOVCDHJV-UHFFFAOYSA-N 1 1 309.797 2.918 20 5 DFBDMO CC[N@@H+]1CC[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418609 146067224 /nfs/dbraw/zinc/06/72/24/146067224.db2.gz GQKXFMFDBARYHZ-GJZGRUSLSA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418609 146067227 /nfs/dbraw/zinc/06/72/27/146067227.db2.gz GQKXFMFDBARYHZ-GJZGRUSLSA-N 1 1 321.421 2.636 20 5 DFBDMO CCN1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418609 146067231 /nfs/dbraw/zinc/06/72/31/146067231.db2.gz GQKXFMFDBARYHZ-GJZGRUSLSA-N 1 1 321.421 2.636 20 5 DFBDMO CCN1CC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418609 146067234 /nfs/dbraw/zinc/06/72/34/146067234.db2.gz GQKXFMFDBARYHZ-GJZGRUSLSA-N 1 1 321.421 2.636 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000252667766 146222122 /nfs/dbraw/zinc/22/21/22/146222122.db2.gz NNFPNXURNYTHQR-RYUDHWBXSA-N 1 1 311.769 2.523 20 5 DFBDMO COc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000261934465 146303788 /nfs/dbraw/zinc/30/37/88/146303788.db2.gz TVCOGDFREVCJQN-OAHLLOKOSA-N 1 1 319.405 2.567 20 5 DFBDMO Nc1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000261935215 146305520 /nfs/dbraw/zinc/30/55/20/146305520.db2.gz DCQLGMDBNKYAEQ-UHFFFAOYSA-N 1 1 304.375 2.798 20 5 DFBDMO Nc1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000261935215 146305523 /nfs/dbraw/zinc/30/55/23/146305523.db2.gz DCQLGMDBNKYAEQ-UHFFFAOYSA-N 1 1 304.375 2.798 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000354411994 147026655 /nfs/dbraw/zinc/02/66/55/147026655.db2.gz WNYIAEOERSBUIF-RISCZKNCSA-N 1 1 323.368 2.679 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000355333836 147268950 /nfs/dbraw/zinc/26/89/50/147268950.db2.gz QTQTZRUMUQGSJQ-UHFFFAOYSA-N 1 1 318.352 2.675 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000355333836 147268954 /nfs/dbraw/zinc/26/89/54/147268954.db2.gz QTQTZRUMUQGSJQ-UHFFFAOYSA-N 1 1 318.352 2.675 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1(O)CCC1 ZINC000355372394 147288038 /nfs/dbraw/zinc/28/80/38/147288038.db2.gz VSWVUODBKOYCRJ-UHFFFAOYSA-N 1 1 316.304 2.543 20 5 DFBDMO Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000355402307 147301749 /nfs/dbraw/zinc/30/17/49/147301749.db2.gz LIQUPVKTCOZPQY-UHFFFAOYSA-N 1 1 302.315 2.865 20 5 DFBDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355588439 147374613 /nfs/dbraw/zinc/37/46/13/147374613.db2.gz WHMMRFUGHBZSRM-LBPRGKRZSA-N 1 1 324.377 2.625 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000355596379 147378594 /nfs/dbraw/zinc/37/85/94/147378594.db2.gz CRHKKIYXWHZPPC-CHWSQXEVSA-N 1 1 320.393 2.816 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000355596380 147378844 /nfs/dbraw/zinc/37/88/44/147378844.db2.gz CRHKKIYXWHZPPC-OLZOCXBDSA-N 1 1 320.393 2.816 20 5 DFBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H](OCC)C1(C)C ZINC000350093016 286003444 /nfs/dbraw/zinc/00/34/44/286003444.db2.gz VKQRVTUPOKHIEQ-GJZGRUSLSA-N 1 1 324.425 2.707 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000357651063 148069713 /nfs/dbraw/zinc/06/97/13/148069713.db2.gz NBFPLRLOEAABJI-MRXNPFEDSA-N 1 1 314.389 2.889 20 5 DFBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000357918175 148175550 /nfs/dbraw/zinc/17/55/50/148175550.db2.gz BQPOPIYSWNWXGD-KGLIPLIRSA-N 1 1 324.425 2.707 20 5 DFBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)C(F)(F)F ZINC000350285145 286024440 /nfs/dbraw/zinc/02/44/40/286024440.db2.gz FFIOKZDSQWYENM-GHMZBOCLSA-N 1 1 310.247 2.525 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000358408707 148349224 /nfs/dbraw/zinc/34/92/24/148349224.db2.gz HBENTSLQUVFGJY-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000358408707 148349225 /nfs/dbraw/zinc/34/92/25/148349225.db2.gz HBENTSLQUVFGJY-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO Cc1c(Cc2noc([C@H]3C[N@H+](C)C[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000361265813 149070115 /nfs/dbraw/zinc/07/01/15/149070115.db2.gz PMVIJLSFRJPMSQ-MFKMUULPSA-N 1 1 316.361 2.542 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000361437966 149116251 /nfs/dbraw/zinc/11/62/51/149116251.db2.gz SCHXRTUBZTWASO-ZDUSSCGKSA-N 1 1 324.352 2.504 20 5 DFBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000361652146 149180843 /nfs/dbraw/zinc/18/08/43/149180843.db2.gz HUIUKXXQKFUYER-KBPBESRZSA-N 1 1 318.377 2.652 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000361703192 149196826 /nfs/dbraw/zinc/19/68/26/149196826.db2.gz ZWIQOLTXEXTGQE-HNNXBMFYSA-N 1 1 300.362 2.846 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000361857225 149238405 /nfs/dbraw/zinc/23/84/05/149238405.db2.gz ZGHKYZWOKTVDFJ-CHWSQXEVSA-N 1 1 320.393 2.816 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])cc1OC ZINC000371685705 150080384 /nfs/dbraw/zinc/08/03/84/150080384.db2.gz NWHAEQZCNPAWDK-ZDUSSCGKSA-N 1 1 324.377 2.613 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000372946022 150206045 /nfs/dbraw/zinc/20/60/45/150206045.db2.gz ISUHETNBWLSWBJ-HNNXBMFYSA-N 1 1 316.361 2.544 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000372946022 150206047 /nfs/dbraw/zinc/20/60/47/150206047.db2.gz ISUHETNBWLSWBJ-HNNXBMFYSA-N 1 1 316.361 2.544 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374413643 150362988 /nfs/dbraw/zinc/36/29/88/150362988.db2.gz XZKHADBJIZPGKZ-KGLIPLIRSA-N 1 1 320.389 2.852 20 5 DFBDMO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)cc1[N+](=O)[O-] ZINC000374468581 150371777 /nfs/dbraw/zinc/37/17/77/150371777.db2.gz JJBLADVRZYAWIF-RISCZKNCSA-N 1 1 300.362 2.834 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000351716967 286201388 /nfs/dbraw/zinc/20/13/88/286201388.db2.gz BZDRBMYDCZOKOX-MNOVXSKESA-N 1 1 313.348 2.788 20 5 DFBDMO CC[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000351747445 286208985 /nfs/dbraw/zinc/20/89/85/286208985.db2.gz CBVTVISACDCRFW-UHFFFAOYSA-N 1 1 312.345 2.586 20 5 DFBDMO COc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)ccc1[N+](=O)[O-] ZINC000351977933 286258957 /nfs/dbraw/zinc/25/89/57/286258957.db2.gz LZNGBGDNUKYKPW-ZDUSSCGKSA-N 1 1 306.362 2.604 20 5 DFBDMO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000352050776 286280181 /nfs/dbraw/zinc/28/01/81/286280181.db2.gz VATOHLFOMWMQIY-NSHDSACASA-N 1 1 313.348 2.647 20 5 DFBDMO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000352050775 286280042 /nfs/dbraw/zinc/28/00/42/286280042.db2.gz VATOHLFOMWMQIY-LLVKDONJSA-N 1 1 313.348 2.647 20 5 DFBDMO C[C@H]1CC[N@@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352349944 286350146 /nfs/dbraw/zinc/35/01/46/286350146.db2.gz IRCUJCNASRQMLX-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)ccc1[N+](=O)[O-] ZINC000352398309 286363471 /nfs/dbraw/zinc/36/34/71/286363471.db2.gz AFJHTOCIRUORGH-CQSZACIVSA-N 1 1 316.361 2.637 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000181734783 157996788 /nfs/dbraw/zinc/99/67/88/157996788.db2.gz LIRJVLAPYZZZIL-LSDHHAIUSA-N 1 1 320.389 2.599 20 5 DFBDMO COCCOC[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182814429 158006846 /nfs/dbraw/zinc/00/68/46/158006846.db2.gz IHVBBMRCKAPGNR-CABCVRRESA-N 1 1 322.405 2.949 20 5 DFBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)[C@H]2C1 ZINC000183398167 158017993 /nfs/dbraw/zinc/01/79/93/158017993.db2.gz SYJNUKAQJUNCHL-IKGGRYGDSA-N 1 1 320.389 2.672 20 5 DFBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)[C@H]2C1 ZINC000183398167 158017994 /nfs/dbraw/zinc/01/79/94/158017994.db2.gz SYJNUKAQJUNCHL-IKGGRYGDSA-N 1 1 320.389 2.672 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246473085 158092455 /nfs/dbraw/zinc/09/24/55/158092455.db2.gz CVYQPZKQVQCPDO-GUYCJALGSA-N 1 1 320.389 2.994 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)nc2c1 ZINC000246882848 158103781 /nfs/dbraw/zinc/10/37/81/158103781.db2.gz UZSKLSZJNQXKSA-SMDDNHRTSA-N 1 1 317.345 2.737 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247942498 158153114 /nfs/dbraw/zinc/15/31/14/158153114.db2.gz 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COc1cc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000129080111 196017184 /nfs/dbraw/zinc/01/71/84/196017184.db2.gz PKVRPCZGDVNOPS-GWCFXTLKSA-N 1 1 311.357 2.883 20 5 DFBDMO CC(C)c1ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000131187071 196148051 /nfs/dbraw/zinc/14/80/51/196148051.db2.gz KCGLYCOECDXTRK-XUSGNXJCSA-N 1 1 312.435 2.917 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000131187071 196148053 /nfs/dbraw/zinc/14/80/53/196148053.db2.gz KCGLYCOECDXTRK-XUSGNXJCSA-N 1 1 312.435 2.917 20 5 DFBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1c1ccccc1 ZINC000134265693 196374359 /nfs/dbraw/zinc/37/43/59/196374359.db2.gz QPRIQFQFYXSYBF-OAHLLOKOSA-N 1 1 314.389 2.917 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H](C)OC ZINC000291210021 222225700 /nfs/dbraw/zinc/22/57/00/222225700.db2.gz KQIMZUCMZMBRJL-LBPRGKRZSA-N 1 1 323.393 2.589 20 5 DFBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](C)OC ZINC000291348723 222329559 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CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc([N+](=O)[O-])cc1C ZINC000289674435 426670576 /nfs/dbraw/zinc/67/05/76/426670576.db2.gz NQJVAABGNXXUGE-GMBUGEKQSA-N 1 1 302.374 2.758 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000273245977 426625344 /nfs/dbraw/zinc/62/53/44/426625344.db2.gz ZQJLDQDKCMTUDF-XHDPSFHLSA-N 1 1 309.797 2.774 20 5 DFBDMO CC(C)OCCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000265900046 426706769 /nfs/dbraw/zinc/70/67/69/426706769.db2.gz URQHDWVYJZMNEW-UHFFFAOYSA-N 1 1 324.377 2.708 20 5 DFBDMO CCOc1cccc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000273898293 426713881 /nfs/dbraw/zinc/71/38/81/426713881.db2.gz VIBPYFJVSKZYDR-KGLIPLIRSA-N 1 1 319.405 2.914 20 5 DFBDMO C[C@@H](CN(C)C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000290203443 426715913 /nfs/dbraw/zinc/71/59/13/426715913.db2.gz UYOZOWHKCZYQDU-LBPRGKRZSA-N 1 1 303.362 2.895 20 5 DFBDMO C[C@@H](O)c1ncc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000290206813 426716039 /nfs/dbraw/zinc/71/60/39/426716039.db2.gz DNGIKONKBSRHFR-NXEZZACHSA-N 1 1 307.375 2.955 20 5 DFBDMO COc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290504432 426779888 /nfs/dbraw/zinc/77/98/88/426779888.db2.gz PHATXFWXXSKABE-LSDHHAIUSA-N 1 1 319.405 2.520 20 5 DFBDMO COc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290518358 426783698 /nfs/dbraw/zinc/78/36/98/426783698.db2.gz CBKUDNNKNXAIFF-WDEREUQCSA-N 1 1 321.377 2.649 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266880611 426787814 /nfs/dbraw/zinc/78/78/14/426787814.db2.gz WQDCKFCNKOHVTB-SKDRFNHKSA-N 1 1 304.268 2.655 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266880611 426787819 /nfs/dbraw/zinc/78/78/19/426787819.db2.gz WQDCKFCNKOHVTB-SKDRFNHKSA-N 1 1 304.268 2.655 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000266534430 426734576 /nfs/dbraw/zinc/73/45/76/426734576.db2.gz NNXIFYYIRKYPJR-QWHCGFSZSA-N 1 1 306.362 2.741 20 5 DFBDMO Cc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000266594335 426747592 /nfs/dbraw/zinc/74/75/92/426747592.db2.gz NXCIXXKGASSEPE-UHFFFAOYSA-N 1 1 317.345 2.935 20 5 DFBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000290380755 426754385 /nfs/dbraw/zinc/75/43/85/426754385.db2.gz BBDITUVSEXMTCK-MRXNPFEDSA-N 1 1 300.362 2.855 20 5 DFBDMO Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC000266687667 426761729 /nfs/dbraw/zinc/76/17/29/426761729.db2.gz COZJMLMDPTXPNM-KGLIPLIRSA-N 1 1 304.394 2.750 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cs1 ZINC000281785928 426765398 /nfs/dbraw/zinc/76/53/98/426765398.db2.gz UAWZZRQGHSRSLG-MRXNPFEDSA-N 1 1 318.398 2.970 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000266939528 426800203 /nfs/dbraw/zinc/80/02/03/426800203.db2.gz QSGHQZNCMXNPNK-ZDUSSCGKSA-N 1 1 316.361 2.576 20 5 DFBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1F ZINC000267036288 426814083 /nfs/dbraw/zinc/81/40/83/426814083.db2.gz CFMBBDSVKBOVBP-UHFFFAOYSA-N 1 1 306.341 2.841 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000290748071 426829819 /nfs/dbraw/zinc/82/98/19/426829819.db2.gz IGLIONZSTJJHQJ-HZPDHXFCSA-N 1 1 302.374 2.893 20 5 DFBDMO Cc1cc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000274774759 426833318 /nfs/dbraw/zinc/83/33/18/426833318.db2.gz DJYWBJNCUAAVEL-LBPRGKRZSA-N 1 1 318.377 2.675 20 5 DFBDMO C[C@H]1C[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C[N@H+]1C1CC1 ZINC000290785757 426839432 /nfs/dbraw/zinc/83/94/32/426839432.db2.gz NQXIZUQOSALYNL-QWRGUYRKSA-N 1 1 302.378 2.600 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1ccc([N+](=O)[O-])c2ccccc12)C1CC1 ZINC000290818608 426846868 /nfs/dbraw/zinc/84/68/68/426846868.db2.gz SEPKHVWXAAFJEB-ZDUSSCGKSA-N 1 1 316.357 2.582 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000246707989 426856341 /nfs/dbraw/zinc/85/63/41/426856341.db2.gz KYWVXPOMOLTIQR-OLZOCXBDSA-N 1 1 317.389 2.604 20 5 DFBDMO CC[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246025704 426790916 /nfs/dbraw/zinc/79/09/16/426790916.db2.gz NEZMVJQUTRLDRQ-BBRMVZONSA-N 1 1 317.389 2.822 20 5 DFBDMO CCc1ccc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000266918551 426796582 /nfs/dbraw/zinc/79/65/82/426796582.db2.gz KTFDHPRZAPJTEA-UHFFFAOYSA-N 1 1 319.405 2.714 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000246954439 426881731 /nfs/dbraw/zinc/88/17/31/426881731.db2.gz MBEVIESOCJBIFB-HIFRSBDPSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291387224 426883603 /nfs/dbraw/zinc/88/36/03/426883603.db2.gz BCTMFHCVVYHFRE-RYUDHWBXSA-N 1 1 314.332 2.914 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000180740555 426884167 /nfs/dbraw/zinc/88/41/67/426884167.db2.gz XVJGLQSKEHECCE-KRWDZBQOSA-N 1 1 313.357 2.688 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1F ZINC000283064281 426946064 /nfs/dbraw/zinc/94/60/64/426946064.db2.gz JQXAKCLTUBOOHA-BBRMVZONSA-N 1 1 308.353 2.861 20 5 DFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H](O)C(F)(F)F ZINC000189862991 426967247 /nfs/dbraw/zinc/96/72/47/426967247.db2.gz LRJPFHHEQIIMDR-GFCCVEGCSA-N 1 1 306.284 2.648 20 5 DFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H](O)C(F)(F)F ZINC000189862991 426967248 /nfs/dbraw/zinc/96/72/48/426967248.db2.gz LRJPFHHEQIIMDR-GFCCVEGCSA-N 1 1 306.284 2.648 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000248343938 426991395 /nfs/dbraw/zinc/99/13/95/426991395.db2.gz KXWRHVSTEIWNGP-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000248343938 426991401 /nfs/dbraw/zinc/99/14/01/426991401.db2.gz KXWRHVSTEIWNGP-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](CCO)C3CCC3)co2)cc1 ZINC000275892352 426941838 /nfs/dbraw/zinc/94/18/38/426941838.db2.gz SJUUZXSNTVFYKH-UHFFFAOYSA-N 1 1 317.345 2.597 20 5 DFBDMO CCn1nccc1CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283329429 426996683 /nfs/dbraw/zinc/99/66/83/426996683.db2.gz YZBCBSZAPCHQME-UHFFFAOYSA-N 1 1 302.378 2.528 20 5 DFBDMO Cc1cnc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000268363984 426997796 /nfs/dbraw/zinc/99/77/96/426997796.db2.gz XMHOHODBZRNVOE-OKILXGFUSA-N 1 1 322.409 2.600 20 5 DFBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000292024736 427061502 /nfs/dbraw/zinc/06/15/02/427061502.db2.gz WZEVZYYMWJUYND-LLVKDONJSA-N 1 1 319.361 2.800 20 5 DFBDMO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1 ZINC000283465893 427019811 /nfs/dbraw/zinc/01/98/11/427019811.db2.gz IFMQOLHXZFIGAE-UHFFFAOYSA-N 1 1 316.361 2.804 20 5 DFBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nn1 ZINC000283465893 427019816 /nfs/dbraw/zinc/01/98/16/427019816.db2.gz IFMQOLHXZFIGAE-UHFFFAOYSA-N 1 1 316.361 2.804 20 5 DFBDMO CCC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248636424 427024676 /nfs/dbraw/zinc/02/46/76/427024676.db2.gz YCJAXMPGJVVEKF-HUUCEWRRSA-N 1 1 322.405 2.989 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2ccccc2)cc1F ZINC000276283827 427028982 /nfs/dbraw/zinc/02/89/82/427028982.db2.gz GHXFHTATSWSEAV-UHFFFAOYSA-N 1 1 304.321 2.728 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1F ZINC000276283827 427028989 /nfs/dbraw/zinc/02/89/89/427028989.db2.gz GHXFHTATSWSEAV-UHFFFAOYSA-N 1 1 304.321 2.728 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000248833483 427047775 /nfs/dbraw/zinc/04/77/75/427047775.db2.gz MZVPPXHVWCWVFP-TZMCWYRMSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccccn1 ZINC000182315045 427054422 /nfs/dbraw/zinc/05/44/22/427054422.db2.gz PKJQVVUXUBHPLQ-LBPRGKRZSA-N 1 1 314.345 2.588 20 5 DFBDMO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000337945918 427054726 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20 5 DFBDMO CS[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000296311704 427145448 /nfs/dbraw/zinc/14/54/48/427145448.db2.gz OFBWUVDXUYSMHP-ZDUSSCGKSA-N 1 1 323.418 2.669 20 5 DFBDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284254384 427166881 /nfs/dbraw/zinc/16/68/81/427166881.db2.gz VVJSULNDQLKIAY-KGLIPLIRSA-N 1 1 320.437 2.948 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284254384 427166886 /nfs/dbraw/zinc/16/68/86/427166886.db2.gz VVJSULNDQLKIAY-KGLIPLIRSA-N 1 1 320.437 2.948 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000246855686 271261633 /nfs/dbraw/zinc/26/16/33/271261633.db2.gz CTGGYWDODNBCKZ-GJZGRUSLSA-N 1 1 317.389 2.602 20 5 DFBDMO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284254390 427167467 /nfs/dbraw/zinc/16/74/67/427167467.db2.gz VVJSULNDQLKIAY-UONOGXRCSA-N 1 1 320.437 2.948 20 5 DFBDMO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284254390 427167472 /nfs/dbraw/zinc/16/74/72/427167472.db2.gz VVJSULNDQLKIAY-UONOGXRCSA-N 1 1 320.437 2.948 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000266102623 271283854 /nfs/dbraw/zinc/28/38/54/271283854.db2.gz GEGYJKYWDLMIPP-CQSZACIVSA-N 1 1 305.378 2.541 20 5 DFBDMO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000285526734 271342599 /nfs/dbraw/zinc/34/25/99/271342599.db2.gz PMXDOJOCDRXSEP-CQSZACIVSA-N 1 1 321.377 2.648 20 5 DFBDMO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000285526734 271342600 /nfs/dbraw/zinc/34/26/00/271342600.db2.gz PMXDOJOCDRXSEP-CQSZACIVSA-N 1 1 321.377 2.648 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296546637 427218044 /nfs/dbraw/zinc/21/80/44/427218044.db2.gz SNSWZPCAZMUSKB-ZDUSSCGKSA-N 1 1 322.409 2.687 20 5 DFBDMO Cc1ccncc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269528874 427219630 /nfs/dbraw/zinc/21/96/30/427219630.db2.gz JAVNVPMSWQRNJE-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000269603608 427229664 /nfs/dbraw/zinc/22/96/64/427229664.db2.gz LTFRSEFVUHSTMS-UHFFFAOYSA-N 1 1 309.366 2.551 20 5 DFBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000269603608 427229670 /nfs/dbraw/zinc/22/96/70/427229670.db2.gz LTFRSEFVUHSTMS-UHFFFAOYSA-N 1 1 309.366 2.551 20 5 DFBDMO Cc1cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330578518 427266722 /nfs/dbraw/zinc/26/67/22/427266722.db2.gz HSQKCFLUWHDHJF-TZMCWYRMSA-N 1 1 319.405 2.753 20 5 DFBDMO COC[C@]1(C)CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000296920651 427276393 /nfs/dbraw/zinc/27/63/93/427276393.db2.gz WQHNWYJJRFIPDQ-OAHLLOKOSA-N 1 1 312.341 2.601 20 5 DFBDMO COC[C@]1(C)CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000296920651 427276397 /nfs/dbraw/zinc/27/63/97/427276397.db2.gz WQHNWYJJRFIPDQ-OAHLLOKOSA-N 1 1 312.341 2.601 20 5 DFBDMO Nc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000285737777 427323214 /nfs/dbraw/zinc/32/32/14/427323214.db2.gz TWDLPMVVDPFVDR-OAHLLOKOSA-N 1 1 312.373 2.863 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C(C)CC1 ZINC000270368251 427335763 /nfs/dbraw/zinc/33/57/63/427335763.db2.gz SXZKQLZTDOEUGB-UHFFFAOYSA-N 1 1 303.362 2.884 20 5 DFBDMO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261966022 427346798 /nfs/dbraw/zinc/34/67/98/427346798.db2.gz YKLDOHRMPBAXFB-SWLSCSKDSA-N 1 1 312.373 2.640 20 5 DFBDMO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330713882 427296949 /nfs/dbraw/zinc/29/69/49/427296949.db2.gz ABKWFPBJDQQIFJ-KGLIPLIRSA-N 1 1 319.405 2.955 20 5 DFBDMO CCOc1cc(CN2CC[N@@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000331238083 427378210 /nfs/dbraw/zinc/37/82/10/427378210.db2.gz IITSJPDAQCZIQF-INIZCTEOSA-N 1 1 321.421 2.766 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000331261977 427386095 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Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[N@H+](C)C(C)C ZINC000271288854 427481444 /nfs/dbraw/zinc/48/14/44/427481444.db2.gz RLYGIJRJCVRLEQ-UHFFFAOYSA-N 1 1 321.421 2.980 20 5 DFBDMO CCOC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184250663 427423142 /nfs/dbraw/zinc/42/31/42/427423142.db2.gz QYNRNIHHAMHFBQ-UHFFFAOYSA-N 1 1 312.341 2.743 20 5 DFBDMO CCCC[N@@H+](CCCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184312723 427437345 /nfs/dbraw/zinc/43/73/45/427437345.db2.gz HRDAQCBRUXUEPE-UHFFFAOYSA-N 1 1 314.357 2.727 20 5 DFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191889426 427438104 /nfs/dbraw/zinc/43/81/04/427438104.db2.gz KOWDUCKDZHMKQT-CYBMUJFWSA-N 1 1 304.346 2.512 20 5 DFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191889426 427438112 /nfs/dbraw/zinc/43/81/12/427438112.db2.gz KOWDUCKDZHMKQT-CYBMUJFWSA-N 1 1 304.346 2.512 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332065516 427500877 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2.542 20 5 DFBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000263687513 427542158 /nfs/dbraw/zinc/54/21/58/427542158.db2.gz GKPZYUCISMXTDH-AWEZNQCLSA-N 1 1 319.405 2.579 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000192543334 427560764 /nfs/dbraw/zinc/56/07/64/427560764.db2.gz NBJODOSJBHJNMY-CYBMUJFWSA-N 1 1 309.414 2.652 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)(C)C ZINC000263803784 427577082 /nfs/dbraw/zinc/57/70/82/427577082.db2.gz QYQLABUFBWVIRS-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000341870933 271915633 /nfs/dbraw/zinc/91/56/33/271915633.db2.gz BBHRLAKWPSENLR-UHFFFAOYSA-N 1 1 306.753 2.761 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000298483672 427624001 /nfs/dbraw/zinc/62/40/01/427624001.db2.gz IZSHDHCSMHVMHD-LBPRGKRZSA-N 1 1 306.362 2.604 20 5 DFBDMO Cc1cnccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000294520020 427645981 /nfs/dbraw/zinc/64/59/81/427645981.db2.gz FKAXFRMCCUAKSQ-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000185476632 427660403 /nfs/dbraw/zinc/66/04/03/427660403.db2.gz KIYQFCGVQDSUGA-GFCCVEGCSA-N 1 1 318.402 2.935 20 5 DFBDMO COc1cccc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000185553702 427670457 /nfs/dbraw/zinc/67/04/57/427670457.db2.gz QOQFHRQBOQCFMA-CYBMUJFWSA-N 1 1 307.394 2.993 20 5 DFBDMO CC(=O)NC1CCC([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000344149113 272274704 /nfs/dbraw/zinc/27/47/04/272274704.db2.gz SMCHWYNUCGOWRZ-UHFFFAOYSA-N 1 1 319.405 2.516 20 5 DFBDMO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000344243874 272295594 /nfs/dbraw/zinc/29/55/94/272295594.db2.gz PKZQSYMLISWZGS-NWDGAFQWSA-N 1 1 323.368 2.727 20 5 DFBDMO CC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000344243726 272295815 /nfs/dbraw/zinc/29/58/15/272295815.db2.gz VSKWGSQFHQATSE-INIZCTEOSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000344243726 272295816 /nfs/dbraw/zinc/29/58/16/272295816.db2.gz VSKWGSQFHQATSE-INIZCTEOSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@@]1(C)CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000344243477 272296137 /nfs/dbraw/zinc/29/61/37/272296137.db2.gz UXDAALMPHWXIRR-INIZCTEOSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000344243477 272296140 /nfs/dbraw/zinc/29/61/40/272296140.db2.gz UXDAALMPHWXIRR-INIZCTEOSA-N 1 1 305.378 2.964 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCC[C@@H]1O ZINC000339189385 427722922 /nfs/dbraw/zinc/72/29/22/427722922.db2.gz QQXFZGBRQMJIFE-STQMWFEESA-N 1 1 318.295 2.959 20 5 DFBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC000193726619 427709429 /nfs/dbraw/zinc/70/94/29/427709429.db2.gz UZIVPGCIKUSCOQ-UHFFFAOYSA-N 1 1 311.338 2.607 20 5 DFBDMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000333977633 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305.378 2.941 20 5 DFBDMO Cc1c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000299102056 427750603 /nfs/dbraw/zinc/75/06/03/427750603.db2.gz SHGFGWNYAPBEDQ-CHWSQXEVSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cc(NCCC[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000301445878 427797490 /nfs/dbraw/zinc/79/74/90/427797490.db2.gz PUCMDYCMKPCKRU-UHFFFAOYSA-N 1 1 313.785 2.691 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000301580292 427807269 /nfs/dbraw/zinc/80/72/69/427807269.db2.gz SQCPNJFSSAHRMM-ZNMIVQPWSA-N 1 1 301.390 2.824 20 5 DFBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301621487 427809762 /nfs/dbraw/zinc/80/97/62/427809762.db2.gz XXLKCDLXNASMIP-GFCCVEGCSA-N 1 1 322.365 2.893 20 5 DFBDMO CC(C)[C@@]1(CO)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000339709676 427816798 /nfs/dbraw/zinc/81/67/98/427816798.db2.gz KQBJVCRRAVLXTE-KRWDZBQOSA-N 1 1 306.406 2.868 20 5 DFBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000301716478 427819471 /nfs/dbraw/zinc/81/94/71/427819471.db2.gz NKAPJIRMCFJVGG-LBPRGKRZSA-N 1 1 318.352 2.927 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000301804191 427826066 /nfs/dbraw/zinc/82/60/66/427826066.db2.gz VETGUPMMKVDQAX-QWRGUYRKSA-N 1 1 311.332 2.936 20 5 DFBDMO Cc1cc[nH+]c(N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000302818840 427875486 /nfs/dbraw/zinc/87/54/86/427875486.db2.gz NNGZZEBIWKJFOY-UHFFFAOYSA-N 1 1 316.336 2.764 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349831334 427876537 /nfs/dbraw/zinc/87/65/37/427876537.db2.gz KJPDKYZKHGYDEB-WDEREUQCSA-N 1 1 318.333 2.651 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355782669 427888986 /nfs/dbraw/zinc/88/89/86/427888986.db2.gz MMIBFTWDTGJLBG-KRWDZBQOSA-N 1 1 320.389 2.996 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCn4cc[nH+]c4C3)n2)cc1 ZINC000349889619 427889337 /nfs/dbraw/zinc/88/93/37/427889337.db2.gz SPTOCGQQPSKWSS-LLVKDONJSA-N 1 1 311.301 2.571 20 5 DFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304094731 427917977 /nfs/dbraw/zinc/91/79/77/427917977.db2.gz DOTGTMDRTYLLAO-UKRRQHHQSA-N 1 1 308.378 2.729 20 5 DFBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000345936132 427958430 /nfs/dbraw/zinc/95/84/30/427958430.db2.gz BQIXIOONEIPMBB-ZJUUUORDSA-N 1 1 311.407 2.519 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000345936132 427958435 /nfs/dbraw/zinc/95/84/35/427958435.db2.gz BQIXIOONEIPMBB-ZJUUUORDSA-N 1 1 311.407 2.519 20 5 DFBDMO CC[N@@H+](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000340311160 427983521 /nfs/dbraw/zinc/98/35/21/427983521.db2.gz DFLHQGZJPBZUHD-UHFFFAOYSA-N 1 1 321.421 2.719 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345876231 427937796 /nfs/dbraw/zinc/93/77/96/427937796.db2.gz DHIKFLXJJZGUMX-NWDGAFQWSA-N 1 1 306.366 2.541 20 5 DFBDMO CCc1ccc([C@H](CO)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000359626245 427942924 /nfs/dbraw/zinc/94/29/24/427942924.db2.gz QQYZUZXKNDIPNP-INIZCTEOSA-N 1 1 300.358 2.980 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000369547554 427994945 /nfs/dbraw/zinc/99/49/45/427994945.db2.gz BQZVDIXKPPEVGK-JKIFEVAISA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000369547554 427994952 /nfs/dbraw/zinc/99/49/52/427994952.db2.gz BQZVDIXKPPEVGK-JKIFEVAISA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@H]1C[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC[N@H+]1C ZINC000351181250 428027980 /nfs/dbraw/zinc/02/79/80/428027980.db2.gz CGLVOPORTDKSOU-AAEUAGOBSA-N 1 1 316.361 2.766 20 5 DFBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000369694330 428036069 /nfs/dbraw/zinc/03/60/69/428036069.db2.gz DZADDWAEVZJYRQ-INIZCTEOSA-N 1 1 312.373 2.701 20 5 DFBDMO CC(=O)c1ccc(NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413445962 428049531 /nfs/dbraw/zinc/04/95/31/428049531.db2.gz UDBHXCRSUOERBB-ZDUSSCGKSA-N 1 1 305.378 2.941 20 5 DFBDMO CC(C)C[N@H+]1CCO[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341380373 428053862 /nfs/dbraw/zinc/05/38/62/428053862.db2.gz PEAINGPYISQNIH-GFCCVEGCSA-N 1 1 311.357 2.503 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1F ZINC000377119430 428062655 /nfs/dbraw/zinc/06/26/55/428062655.db2.gz JHPSVRHZCWKPHO-UHFFFAOYSA-N 1 1 324.352 2.505 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCOCC3)CC2)cc1F ZINC000377119430 428062661 /nfs/dbraw/zinc/06/26/61/428062661.db2.gz JHPSVRHZCWKPHO-UHFFFAOYSA-N 1 1 324.352 2.505 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1ncc([N+](=O)[O-])cc1F ZINC000413270803 428008223 /nfs/dbraw/zinc/00/82/23/428008223.db2.gz VUQLYMCUAKUOOB-UHFFFAOYSA-N 1 1 321.356 2.804 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369873617 428079921 /nfs/dbraw/zinc/07/99/21/428079921.db2.gz MIXCDTMNKFCFBO-DOTOQJQBSA-N 1 1 320.389 2.755 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369873617 428079925 /nfs/dbraw/zinc/07/99/25/428079925.db2.gz MIXCDTMNKFCFBO-DOTOQJQBSA-N 1 1 320.389 2.755 20 5 DFBDMO CCc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000369936728 428092735 /nfs/dbraw/zinc/09/27/35/428092735.db2.gz MVWVCDGCTIZLIJ-GJZGRUSLSA-N 1 1 317.389 2.514 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369967970 428098915 /nfs/dbraw/zinc/09/89/15/428098915.db2.gz VHKXHBMKFWWMQG-UONOGXRCSA-N 1 1 305.378 2.780 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000370000955 428105536 /nfs/dbraw/zinc/10/55/36/428105536.db2.gz FZIAGNIBWYYZTA-HNNXBMFYSA-N 1 1 318.352 2.638 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346192581 428063099 /nfs/dbraw/zinc/06/30/99/428063099.db2.gz PJSWYBZQGMLXES-GJZGRUSLSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1C[C@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346192581 428063104 /nfs/dbraw/zinc/06/31/04/428063104.db2.gz PJSWYBZQGMLXES-GJZGRUSLSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1C[C@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346192581 428063111 /nfs/dbraw/zinc/06/31/11/428063111.db2.gz PJSWYBZQGMLXES-GJZGRUSLSA-N 1 1 321.421 2.778 20 5 DFBDMO COc1cc(C[N@H+]2CCCC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352540804 428141199 /nfs/dbraw/zinc/14/11/99/428141199.db2.gz PRQMSVBVCLGMQG-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO Cc1ccccc1[C@]1(F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370149876 428144039 /nfs/dbraw/zinc/14/40/39/428144039.db2.gz QBOOPCJWVPSXDF-INIZCTEOSA-N 1 1 318.352 2.670 20 5 DFBDMO Cc1ccccc1[C@]1(F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370149876 428144041 /nfs/dbraw/zinc/14/40/41/428144041.db2.gz QBOOPCJWVPSXDF-INIZCTEOSA-N 1 1 318.352 2.670 20 5 DFBDMO C[N@@H+](CCOCC(F)(F)F)CCc1ccccc1[N+](=O)[O-] ZINC000352549583 428146556 /nfs/dbraw/zinc/14/65/56/428146556.db2.gz DHORPKKFCVYJPS-UHFFFAOYSA-N 1 1 306.284 2.648 20 5 DFBDMO CCCC(=O)N1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000360125006 428173843 /nfs/dbraw/zinc/17/38/43/428173843.db2.gz XMACNDMQSUHEAU-AWEZNQCLSA-N 1 1 319.405 2.990 20 5 DFBDMO CCCC(=O)N1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000360125006 428173847 /nfs/dbraw/zinc/17/38/47/428173847.db2.gz XMACNDMQSUHEAU-AWEZNQCLSA-N 1 1 319.405 2.990 20 5 DFBDMO CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C)C1 ZINC000352696278 428208443 /nfs/dbraw/zinc/20/84/43/428208443.db2.gz JCPZMXRBSKOGMI-AWEZNQCLSA-N 1 1 321.421 2.908 20 5 DFBDMO CCC[N@@H+](CC(C)C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000346606735 428237798 /nfs/dbraw/zinc/23/77/98/428237798.db2.gz SVIIRDAIVDVNJT-HNNXBMFYSA-N 1 1 310.394 2.703 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000346488556 428191240 /nfs/dbraw/zinc/19/12/40/428191240.db2.gz NOHDLAQKBLWSTF-MRXNPFEDSA-N 1 1 313.357 2.952 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000346490662 428194307 /nfs/dbraw/zinc/19/43/07/428194307.db2.gz SZBGCQVAWHZDTP-OLZOCXBDSA-N 1 1 320.393 2.850 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000352676541 428197554 /nfs/dbraw/zinc/19/75/54/428197554.db2.gz UHYVWRSOUPIOFF-SQXIKUFJSA-N 1 1 306.337 2.589 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)ccc1[N+](=O)[O-] ZINC000341985385 428268810 /nfs/dbraw/zinc/26/88/10/428268810.db2.gz WZVLDOWLCOUDIA-MRXNPFEDSA-N 1 1 306.362 2.606 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000370711169 428281116 /nfs/dbraw/zinc/28/11/16/428281116.db2.gz OEKZPQTYCKRTMD-PBHICJAKSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000370711169 428281121 /nfs/dbraw/zinc/28/11/21/428281121.db2.gz OEKZPQTYCKRTMD-PBHICJAKSA-N 1 1 320.389 2.673 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)nc2c1 ZINC000342027866 428283098 /nfs/dbraw/zinc/28/30/98/428283098.db2.gz XUEHFCSSPDZJMP-CABCVRRESA-N 1 1 316.361 2.615 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)nc2c1 ZINC000342027866 428283101 /nfs/dbraw/zinc/28/31/01/428283101.db2.gz XUEHFCSSPDZJMP-CABCVRRESA-N 1 1 316.361 2.615 20 5 DFBDMO Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352879321 428292639 /nfs/dbraw/zinc/29/26/39/428292639.db2.gz WCZYVLFUDXRXHC-DGCLKSJQSA-N 1 1 306.366 2.507 20 5 DFBDMO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CCCC1 ZINC000352887430 428297245 /nfs/dbraw/zinc/29/72/45/428297245.db2.gz JZOWEKQYMIVSPK-UHFFFAOYSA-N 1 1 321.421 2.781 20 5 DFBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CCCC1 ZINC000352887430 428297251 /nfs/dbraw/zinc/29/72/51/428297251.db2.gz JZOWEKQYMIVSPK-UHFFFAOYSA-N 1 1 321.421 2.781 20 5 DFBDMO CS[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000352776876 428242347 /nfs/dbraw/zinc/24/23/47/428242347.db2.gz FINULYWTLLYHEN-APHBMKBZSA-N 1 1 323.462 2.942 20 5 DFBDMO CS[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000352776876 428242353 /nfs/dbraw/zinc/24/23/53/428242353.db2.gz FINULYWTLLYHEN-APHBMKBZSA-N 1 1 323.462 2.942 20 5 DFBDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000371852866 273570460 /nfs/dbraw/zinc/57/04/60/273570460.db2.gz NQINPTZHSRYJTC-GFCCVEGCSA-N 1 1 316.365 2.546 20 5 DFBDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000370890844 428315377 /nfs/dbraw/zinc/31/53/77/428315377.db2.gz GUURWTPBCGVQQD-MRXNPFEDSA-N 1 1 317.389 2.572 20 5 DFBDMO CCC[C@H]([NH2+]CCc1n[nH]c(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000356837060 428332775 /nfs/dbraw/zinc/33/27/75/428332775.db2.gz HNLJQQVCGAGZLC-AWEZNQCLSA-N 1 1 303.366 2.695 20 5 DFBDMO CCC[C@H]([NH2+]CCc1nnc(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000356837060 428332782 /nfs/dbraw/zinc/33/27/82/428332782.db2.gz HNLJQQVCGAGZLC-AWEZNQCLSA-N 1 1 303.366 2.695 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000371091555 428356440 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Cc1ccc([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000378650506 428449177 /nfs/dbraw/zinc/44/91/77/428449177.db2.gz OUHLMWVUPZSVOD-HNNXBMFYSA-N 1 1 300.362 2.589 20 5 DFBDMO [NH3+]CC(F)(F)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414928250 428461097 /nfs/dbraw/zinc/46/10/97/428461097.db2.gz MCUQJMFHHZWAMH-UHFFFAOYSA-N 1 1 311.288 2.538 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCOC(C)(C)C1 ZINC000372701538 428491773 /nfs/dbraw/zinc/49/17/73/428491773.db2.gz JZHPYGKEFPNEEO-UHFFFAOYSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCOC(C)(C)C1 ZINC000372701538 428491776 /nfs/dbraw/zinc/49/17/76/428491776.db2.gz JZHPYGKEFPNEEO-UHFFFAOYSA-N 1 1 308.378 2.994 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000360959091 428511564 /nfs/dbraw/zinc/51/15/64/428511564.db2.gz FCRQIJAAKIICAW-NEPJUHHUSA-N 1 1 309.414 2.652 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(Cl)n3)CC2)n1 ZINC000373216715 428524552 /nfs/dbraw/zinc/52/45/52/428524552.db2.gz BJHYPLYKPDWRJN-UHFFFAOYSA-N 1 1 321.768 2.677 20 5 DFBDMO CC1=C(C)C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000361624541 428581397 /nfs/dbraw/zinc/58/13/97/428581397.db2.gz RBVSEETWTJGMOC-ZDUSSCGKSA-N 1 1 303.362 2.964 20 5 DFBDMO CC1=C(C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000361624541 428581402 /nfs/dbraw/zinc/58/14/02/428581402.db2.gz RBVSEETWTJGMOC-ZDUSSCGKSA-N 1 1 303.362 2.964 20 5 DFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000343877033 428588168 /nfs/dbraw/zinc/58/81/68/428588168.db2.gz WXOOWMMOUURLRC-UHFFFAOYSA-N 1 1 324.377 2.637 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347312112 428540990 /nfs/dbraw/zinc/54/09/90/428540990.db2.gz YNPZYOCYZDXFSC-YGRLFVJLSA-N 1 1 324.356 2.584 20 5 DFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C[N@H+]1C ZINC000408067145 428598150 /nfs/dbraw/zinc/59/81/50/428598150.db2.gz IXLYIASMIBEFFR-NEPJUHHUSA-N 1 1 300.362 2.672 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000344014259 428605980 /nfs/dbraw/zinc/60/59/80/428605980.db2.gz WKRFKCXPCLQVCQ-AAEUAGOBSA-N 1 1 303.362 2.654 20 5 DFBDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000347564408 428606096 /nfs/dbraw/zinc/60/60/96/428606096.db2.gz UJGGEDUBMKZNCZ-OAHLLOKOSA-N 1 1 318.377 2.883 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000353589790 428609737 /nfs/dbraw/zinc/60/97/37/428609737.db2.gz HPPDWTQQSCINBK-GXTWGEPZSA-N 1 1 318.402 2.513 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000353589794 428610232 /nfs/dbraw/zinc/61/02/32/428610232.db2.gz HPPDWTQQSCINBK-JSGCOSHPSA-N 1 1 318.402 2.513 20 5 DFBDMO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000373606635 428618276 /nfs/dbraw/zinc/61/82/76/428618276.db2.gz DWZQLIIQSTVKBZ-QGZVFWFLSA-N 1 1 320.389 2.755 20 5 DFBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000373606635 428618280 /nfs/dbraw/zinc/61/82/80/428618280.db2.gz DWZQLIIQSTVKBZ-QGZVFWFLSA-N 1 1 320.389 2.755 20 5 DFBDMO CS[C@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353633742 428630778 /nfs/dbraw/zinc/63/07/78/428630778.db2.gz TYPCEKOVIKUYQD-BXUZGUMPSA-N 1 1 320.418 2.759 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](CC(C)C)CC1 ZINC000369961023 274053234 /nfs/dbraw/zinc/05/32/34/274053234.db2.gz ZSDJKGCWANVPRV-UHFFFAOYSA-N 1 1 321.421 2.909 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000373720888 428639769 /nfs/dbraw/zinc/63/97/69/428639769.db2.gz QFISDSQFSAFUTH-HNNXBMFYSA-N 1 1 316.361 2.637 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000373720888 428639772 /nfs/dbraw/zinc/63/97/72/428639772.db2.gz QFISDSQFSAFUTH-HNNXBMFYSA-N 1 1 316.361 2.637 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1Cn1ccnn1 ZINC000344440485 428641354 /nfs/dbraw/zinc/64/13/54/428641354.db2.gz LSMTYTBMMJHJCN-CYBMUJFWSA-N 1 1 321.768 2.504 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1Cn1ccnn1 ZINC000344440485 428641357 /nfs/dbraw/zinc/64/13/57/428641357.db2.gz LSMTYTBMMJHJCN-CYBMUJFWSA-N 1 1 321.768 2.504 20 5 DFBDMO Cc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408434888 428660329 /nfs/dbraw/zinc/66/03/29/428660329.db2.gz JJKNMZMIWQEBAQ-STQMWFEESA-N 1 1 314.389 2.980 20 5 DFBDMO Cc1noc([C@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000344868116 428714494 /nfs/dbraw/zinc/71/44/94/428714494.db2.gz VEFCZSPRQAMYPB-SDQPKGBYSA-N 1 1 314.345 2.789 20 5 DFBDMO Cc1noc([C@@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000344868117 428715171 /nfs/dbraw/zinc/71/51/71/428715171.db2.gz VEFCZSPRQAMYPB-YVARQFDVSA-N 1 1 314.345 2.789 20 5 DFBDMO Cc1noc([C@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000344864880 428715928 /nfs/dbraw/zinc/71/59/28/428715928.db2.gz LHMDWCPXYFAXDQ-ZDUSSCGKSA-N 1 1 302.334 2.584 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000348374872 428722763 /nfs/dbraw/zinc/72/27/63/428722763.db2.gz AMMCLYQPDBLLIK-VNHYZAJKSA-N 1 1 318.352 2.898 20 5 DFBDMO Cc1c(CNc2[nH+]c3cccc(F)c3n2C)cccc1[N+](=O)[O-] ZINC000409651731 428680646 /nfs/dbraw/zinc/68/06/46/428680646.db2.gz LLOCMNXOJKJPGB-UHFFFAOYSA-N 1 1 314.320 3.541 20 5 DFBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000374493058 428684592 /nfs/dbraw/zinc/68/45/92/428684592.db2.gz UGWQTBQPCBCILL-JOYOIKCWSA-N 1 1 324.431 3.218 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374913739 428783778 /nfs/dbraw/zinc/78/37/78/428783778.db2.gz OEQOVFFGSPCLLQ-JKSUJKDBSA-N 1 1 307.369 2.793 20 5 DFBDMO C[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000362431039 428739691 /nfs/dbraw/zinc/73/96/91/428739691.db2.gz QMDGVZXSDDRKFN-NXEZZACHSA-N 1 1 311.769 2.775 20 5 DFBDMO Cc1cc(NCC[N@H+](C)C2CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000345082568 428746935 /nfs/dbraw/zinc/74/69/35/428746935.db2.gz SLEFSKSTFBXFBN-UHFFFAOYSA-N 1 1 300.362 2.958 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000375051578 428797355 /nfs/dbraw/zinc/79/73/55/428797355.db2.gz WWCUEUSSCSZXLH-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000353997984 428809694 /nfs/dbraw/zinc/80/96/94/428809694.db2.gz UCDQHVZYGCQIPE-YERXGYGTSA-N 1 1 302.374 2.987 20 5 DFBDMO COc1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1[N+](=O)[O-] ZINC000375316667 428853065 /nfs/dbraw/zinc/85/30/65/428853065.db2.gz ATYKVZSTWOBPKK-OAHLLOKOSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1[N+](=O)[O-] ZINC000375316667 428853072 /nfs/dbraw/zinc/85/30/72/428853072.db2.gz ATYKVZSTWOBPKK-OAHLLOKOSA-N 1 1 320.389 2.994 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354081781 428853099 /nfs/dbraw/zinc/85/30/99/428853099.db2.gz HQIUXANWJGYHCK-MRXNPFEDSA-N 1 1 303.406 2.759 20 5 DFBDMO CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000354084237 428856261 /nfs/dbraw/zinc/85/62/61/428856261.db2.gz DOCCLQVLEMPDHH-ZDUSSCGKSA-N 1 1 312.373 2.816 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000375393075 428872827 /nfs/dbraw/zinc/87/28/27/428872827.db2.gz PJXIEMVJBZUHOA-HNNXBMFYSA-N 1 1 315.377 2.640 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000354122070 428873017 /nfs/dbraw/zinc/87/30/17/428873017.db2.gz WPHSFKAVFRWHPD-HOTGVXAUSA-N 1 1 319.405 2.816 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000354122070 428873024 /nfs/dbraw/zinc/87/30/24/428873024.db2.gz WPHSFKAVFRWHPD-HOTGVXAUSA-N 1 1 319.405 2.816 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cs1 ZINC000375408803 428874702 /nfs/dbraw/zinc/87/47/02/428874702.db2.gz LVTHRAUPXPGISS-LLVKDONJSA-N 1 1 320.374 2.906 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cs1 ZINC000375408803 428874705 /nfs/dbraw/zinc/87/47/05/428874705.db2.gz LVTHRAUPXPGISS-LLVKDONJSA-N 1 1 320.374 2.906 20 5 DFBDMO CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)c2ccc[nH+]c21 ZINC000348950758 428885319 /nfs/dbraw/zinc/88/53/19/428885319.db2.gz QJTHGMZPSSSISV-UHFFFAOYSA-N 1 1 302.309 2.585 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411949977 428893285 /nfs/dbraw/zinc/89/32/85/428893285.db2.gz QUSLOAACLHYSQB-QZTJIDSGSA-N 1 1 312.369 2.945 20 5 DFBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000412040591 428921343 /nfs/dbraw/zinc/92/13/43/428921343.db2.gz RULYRCUGZDGKFR-OAHLLOKOSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1nnc([C@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412048277 428923948 /nfs/dbraw/zinc/92/39/48/428923948.db2.gz WLCIVIPAVSGILM-JQWIXIFHSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1n[nH]c([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000412048277 428923954 /nfs/dbraw/zinc/92/39/54/428923954.db2.gz WLCIVIPAVSGILM-JQWIXIFHSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1n[nH]c([C@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000412048277 428923958 /nfs/dbraw/zinc/92/39/58/428923958.db2.gz WLCIVIPAVSGILM-JQWIXIFHSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412048277 428923964 /nfs/dbraw/zinc/92/39/64/428923964.db2.gz WLCIVIPAVSGILM-JQWIXIFHSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1nc([C@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412048277 428923967 /nfs/dbraw/zinc/92/39/67/428923967.db2.gz WLCIVIPAVSGILM-JQWIXIFHSA-N 1 1 301.350 2.572 20 5 DFBDMO CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354224406 428926065 /nfs/dbraw/zinc/92/60/65/428926065.db2.gz NYSVMDKJYQMKGT-PBHICJAKSA-N 1 1 305.422 2.942 20 5 DFBDMO CCN1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354224406 428926068 /nfs/dbraw/zinc/92/60/68/428926068.db2.gz NYSVMDKJYQMKGT-PBHICJAKSA-N 1 1 305.422 2.942 20 5 DFBDMO CCN1CC[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354224406 428926071 /nfs/dbraw/zinc/92/60/71/428926071.db2.gz NYSVMDKJYQMKGT-PBHICJAKSA-N 1 1 305.422 2.942 20 5 DFBDMO CC[N@@H+]1CC[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354224406 428926077 /nfs/dbraw/zinc/92/60/77/428926077.db2.gz NYSVMDKJYQMKGT-PBHICJAKSA-N 1 1 305.422 2.942 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354224406 428926082 /nfs/dbraw/zinc/92/60/82/428926082.db2.gz NYSVMDKJYQMKGT-PBHICJAKSA-N 1 1 305.422 2.942 20 5 DFBDMO C[C@H]1CC(C)(C)C[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000412049344 428926464 /nfs/dbraw/zinc/92/64/64/428926464.db2.gz WEQVKXQEZAUCFY-WFASDCNBSA-N 1 1 317.389 2.821 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCOC(C)C ZINC000354223817 428927172 /nfs/dbraw/zinc/92/71/72/428927172.db2.gz PCVZGGVYAWZUBT-UHFFFAOYSA-N 1 1 323.393 2.589 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCOC(C)C ZINC000354223817 428927175 /nfs/dbraw/zinc/92/71/75/428927175.db2.gz PCVZGGVYAWZUBT-UHFFFAOYSA-N 1 1 323.393 2.589 20 5 DFBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363580674 428945747 /nfs/dbraw/zinc/94/57/47/428945747.db2.gz APNAKARRKUTMMC-CYBMUJFWSA-N 1 1 317.389 2.650 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451915598 429018455 /nfs/dbraw/zinc/01/84/55/429018455.db2.gz VSJCHVQRRZTVJF-CDMKHQONSA-N 1 1 318.295 2.901 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451915608 429020072 /nfs/dbraw/zinc/02/00/72/429020072.db2.gz VSJCHVQRRZTVJF-XWIASGKRSA-N 1 1 318.295 2.901 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000421804977 429034848 /nfs/dbraw/zinc/03/48/48/429034848.db2.gz VIBRYOHPJJSDLS-ZDUSSCGKSA-N 1 1 317.389 2.592 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375965007 429030792 /nfs/dbraw/zinc/03/07/92/429030792.db2.gz ZGXPCGBGRQXVII-SWLSCSKDSA-N 1 1 318.377 2.685 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000421790772 429032307 /nfs/dbraw/zinc/03/23/07/429032307.db2.gz YOGYORIIFGJAEL-CHWSQXEVSA-N 1 1 317.389 2.567 20 5 DFBDMO Cc1cccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000375798208 428980018 /nfs/dbraw/zinc/98/00/18/428980018.db2.gz WEVODSQJDGNKAQ-ZIAGYGMSSA-N 1 1 317.389 2.602 20 5 DFBDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000451889000 429007090 /nfs/dbraw/zinc/00/70/90/429007090.db2.gz KVCZEBKIFYVJQV-LLVKDONJSA-N 1 1 304.350 2.671 20 5 DFBDMO CN(Cc1ccc2c(c1)OCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349576324 429008465 /nfs/dbraw/zinc/00/84/65/429008465.db2.gz DBWVNFJYUUBOPW-UHFFFAOYSA-N 1 1 316.313 2.661 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435596533 429150215 /nfs/dbraw/zinc/15/02/15/429150215.db2.gz HYQDCAXIKCJXQO-CYBMUJFWSA-N 1 1 307.398 2.537 20 5 DFBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+]1C ZINC000413157261 429150913 /nfs/dbraw/zinc/15/09/13/429150913.db2.gz HHKHJEYPQUEPEX-DTWKUNHWSA-N 1 1 318.299 2.903 20 5 DFBDMO C[C@@H]1CN([C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)C[NH3+] ZINC000423514205 429107116 /nfs/dbraw/zinc/10/71/16/429107116.db2.gz SMKVCVLYCWDOFV-OAUYIBNBSA-N 1 1 303.406 2.889 20 5 DFBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000434982004 429116719 /nfs/dbraw/zinc/11/67/19/429116719.db2.gz JGFTYUFGRWBSDN-GJZGRUSLSA-N 1 1 324.425 2.707 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000434951602 429116841 /nfs/dbraw/zinc/11/68/41/429116841.db2.gz ONKRUUYZLNEJSL-GFCCVEGCSA-N 1 1 324.812 2.811 20 5 DFBDMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376487102 429119980 /nfs/dbraw/zinc/11/99/80/429119980.db2.gz VDWCXTKPBNULMC-LBPRGKRZSA-N 1 1 304.394 2.630 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000363868048 429130865 /nfs/dbraw/zinc/13/08/65/429130865.db2.gz MPSMMQOUWJMPTR-SJORKVTESA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCN1C ZINC000363868048 429130866 /nfs/dbraw/zinc/13/08/66/429130866.db2.gz MPSMMQOUWJMPTR-SJORKVTESA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C ZINC000363868048 429130869 /nfs/dbraw/zinc/13/08/69/429130869.db2.gz MPSMMQOUWJMPTR-SJORKVTESA-N 1 1 303.406 2.962 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CC3)CC2)c2ccncc21 ZINC000141206465 275036068 /nfs/dbraw/zinc/03/60/68/275036068.db2.gz FIBGIUYKGCGOMS-UHFFFAOYSA-N 1 1 312.373 2.818 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]cnc3C1)CCC2 ZINC000368102955 275038061 /nfs/dbraw/zinc/03/80/61/275038061.db2.gz RAQBZRXJFOAUQX-DOMZBBRYSA-N 1 1 312.373 2.842 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](C3CCCC3)CC2)c(F)c1 ZINC000408469925 275040856 /nfs/dbraw/zinc/04/08/56/275040856.db2.gz PSXCWDUEDOJKDT-UHFFFAOYSA-N 1 1 308.357 2.584 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000495240623 429189497 /nfs/dbraw/zinc/18/94/97/429189497.db2.gz MTNHPQFZSPVWEV-BLLLJJGKSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000488574576 429185636 /nfs/dbraw/zinc/18/56/36/429185636.db2.gz RJHBGJIAEJDZAX-JKNJVXJCSA-N 1 1 303.406 2.880 20 5 DFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488726118 429190653 /nfs/dbraw/zinc/19/06/53/429190653.db2.gz VCJUWTRMLFSQRI-GVXVVHGQSA-N 1 1 324.812 2.810 20 5 DFBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000364436441 429202977 /nfs/dbraw/zinc/20/29/77/429202977.db2.gz YBKNUCNQGHWVSZ-GOSISDBHSA-N 1 1 323.352 2.691 20 5 DFBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000364828825 429265422 /nfs/dbraw/zinc/26/54/22/429265422.db2.gz LYNUZYMWEOQHNL-AWEZNQCLSA-N 1 1 315.377 2.979 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000364938446 429269666 /nfs/dbraw/zinc/26/96/66/429269666.db2.gz GZHYXQJRJANTEB-CQSZACIVSA-N 1 1 316.361 2.974 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC23CCCC3)c1 ZINC000365518517 429332546 /nfs/dbraw/zinc/33/25/46/429332546.db2.gz VVXRWAPCTXLPFQ-OAHLLOKOSA-N 1 1 320.389 2.743 20 5 DFBDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425460338 429301320 /nfs/dbraw/zinc/30/13/20/429301320.db2.gz RKLHTEHVFKESTQ-VIFPVBQESA-N 1 1 317.183 2.824 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425503503 429311491 /nfs/dbraw/zinc/31/14/91/429311491.db2.gz SLWJHVCPTYNYSY-OLZOCXBDSA-N 1 1 301.350 2.584 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426462903 429391502 /nfs/dbraw/zinc/39/15/02/429391502.db2.gz WIYWJDZBUUWLGG-SWLSCSKDSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1cc(C(=O)NCC[N@H+]2CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000457082338 429394738 /nfs/dbraw/zinc/39/47/38/429394738.db2.gz WUZIPYRWJRDXNT-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[N@@H+](CCNc1ncccc1[N+](=O)[O-])CCC(F)(F)F ZINC000491544831 429372541 /nfs/dbraw/zinc/37/25/41/429372541.db2.gz JSSRBNALLMFONC-UHFFFAOYSA-N 1 1 306.288 2.676 20 5 DFBDMO Cc1c(C(=O)NCCCC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000457166502 429416699 /nfs/dbraw/zinc/41/66/99/429416699.db2.gz BSFYSXNJAMZBEU-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518706621 429430084 /nfs/dbraw/zinc/43/00/84/429430084.db2.gz PPTZNZNMBNIZGR-UKRRQHHQSA-N 1 1 319.405 2.641 20 5 DFBDMO Cn1cncc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498326 429434427 /nfs/dbraw/zinc/43/44/27/429434427.db2.gz KFJDPZDMVJXZCF-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO Cn1cncc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498332 429435590 /nfs/dbraw/zinc/43/55/90/429435590.db2.gz KFJDPZDMVJXZCF-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc3nc[nH]c3c2)cc1 ZINC000518818420 429436426 /nfs/dbraw/zinc/43/64/26/429436426.db2.gz BTMLYYPLMPTCKK-UHFFFAOYSA-N 1 1 312.329 2.640 20 5 DFBDMO Cc1cccc(N(C)C[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000366544454 429474787 /nfs/dbraw/zinc/47/47/87/429474787.db2.gz SMWVKTCTGABDBX-CYBMUJFWSA-N 1 1 300.362 2.799 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)C1CCSCC1 ZINC000449687340 429478448 /nfs/dbraw/zinc/47/84/48/429478448.db2.gz PCFOBWFVVNYLMC-UHFFFAOYSA-N 1 1 310.419 2.593 20 5 DFBDMO C[C@H]1CC2(CCC2)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000366748922 429507092 /nfs/dbraw/zinc/50/70/92/429507092.db2.gz CPCRJJYEPQQZNQ-KBPBESRZSA-N 1 1 320.389 2.599 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492575157 429568216 /nfs/dbraw/zinc/56/82/16/429568216.db2.gz IJNVSKXKLAWOPY-YYRKOSNBSA-N 1 1 317.389 2.597 20 5 DFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429000943 429568641 /nfs/dbraw/zinc/56/86/41/429568641.db2.gz GIMPQATWAIFBSJ-VKJFTORMSA-N 1 1 317.433 2.799 20 5 DFBDMO Cc1n[nH]c(C2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000367297770 429615301 /nfs/dbraw/zinc/61/53/01/429615301.db2.gz FLLFFIVVPISLIQ-UHFFFAOYSA-N 1 1 319.340 2.540 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429387258 429605015 /nfs/dbraw/zinc/60/50/15/429605015.db2.gz LBDXKELBYFIEGU-NHYWBVRUSA-N 1 1 324.352 2.753 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000450353352 429606687 /nfs/dbraw/zinc/60/66/87/429606687.db2.gz YOAKRWUWQMATKV-RYUDHWBXSA-N 1 1 317.393 2.780 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450363058 429610885 /nfs/dbraw/zinc/61/08/85/429610885.db2.gz UEUGVCQZMIYYOW-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367287545 429612504 /nfs/dbraw/zinc/61/25/04/429612504.db2.gz REJZKFJQSHQTJI-GFCCVEGCSA-N 1 1 314.345 2.525 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2CCO)c(Cl)c1 ZINC000450606991 429659910 /nfs/dbraw/zinc/65/99/10/429659910.db2.gz AXWGDUMPOPRXDA-LBPRGKRZSA-N 1 1 313.785 2.507 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000430219073 429663295 /nfs/dbraw/zinc/66/32/95/429663295.db2.gz KQELNPUBSLOWCI-LSDHHAIUSA-N 1 1 322.405 2.832 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000430214588 429663346 /nfs/dbraw/zinc/66/33/46/429663346.db2.gz DYDGHKAUWPEHHE-IUODEOHRSA-N 1 1 308.378 2.586 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430211104 429663983 /nfs/dbraw/zinc/66/39/83/429663983.db2.gz WXSVGGKKBSOWQO-CHWSQXEVSA-N 1 1 307.394 2.518 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000430241213 429667617 /nfs/dbraw/zinc/66/76/17/429667617.db2.gz GEARFNLHGPAONY-OCCSQVGLSA-N 1 1 307.394 2.518 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H]1C(C)C ZINC000430126049 429653999 /nfs/dbraw/zinc/65/39/99/429653999.db2.gz POUIXGRLRURXJW-HOTGVXAUSA-N 1 1 320.389 2.923 20 5 DFBDMO CC1=C[C@H](C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430284994 429674471 /nfs/dbraw/zinc/67/44/71/429674471.db2.gz QGQVOLUHXRMAEY-AAEUAGOBSA-N 1 1 303.362 2.820 20 5 DFBDMO CC1=C[C@H](C)C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430284994 429674475 /nfs/dbraw/zinc/67/44/75/429674475.db2.gz QGQVOLUHXRMAEY-AAEUAGOBSA-N 1 1 303.362 2.820 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000266286680 276225876 /nfs/dbraw/zinc/22/58/76/276225876.db2.gz VSZPCFPQGRQSNQ-GWCFXTLKSA-N 1 1 312.801 2.810 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCN1CCCC1=O ZINC000527054890 429719094 /nfs/dbraw/zinc/71/90/94/429719094.db2.gz QKCGMQCUIJZSGN-KAMYIIQDSA-N 1 1 317.389 2.552 20 5 DFBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000480513014 429721021 /nfs/dbraw/zinc/72/10/21/429721021.db2.gz CICUDANOOJKFCR-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DFBDMO O=[N+]([O-])c1cc2ccccc2nc1NCc1c[nH+]c2n1CCCC2 ZINC000367822551 429723625 /nfs/dbraw/zinc/72/36/25/429723625.db2.gz AMVGWHCPALKTLN-UHFFFAOYSA-N 1 1 323.356 3.288 20 5 DFBDMO COC[C@@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000451204397 429789467 /nfs/dbraw/zinc/78/94/67/429789467.db2.gz WUEIHVLQKFCNHG-HNNXBMFYSA-N 1 1 305.334 2.594 20 5 DFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432339136 429816743 /nfs/dbraw/zinc/81/67/43/429816743.db2.gz ZGWJGBBYGHMBLZ-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO CCOc1cc(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000493733864 429820456 /nfs/dbraw/zinc/82/04/56/429820456.db2.gz DAJANRAJIGQGGB-MRXNPFEDSA-N 1 1 321.421 2.766 20 5 DFBDMO CCO[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451521110 429840577 /nfs/dbraw/zinc/84/05/77/429840577.db2.gz CUJCBMNEWWJQNO-CJNGLKHVSA-N 1 1 308.378 2.721 20 5 DFBDMO CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548822 429852557 /nfs/dbraw/zinc/85/25/57/429852557.db2.gz ONILWLAERARHPV-ZFWWWQNUSA-N 1 1 306.362 2.726 20 5 DFBDMO CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548822 429852560 /nfs/dbraw/zinc/85/25/60/429852560.db2.gz ONILWLAERARHPV-ZFWWWQNUSA-N 1 1 306.362 2.726 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000451555073 429853970 /nfs/dbraw/zinc/85/39/70/429853970.db2.gz BAJZBOKNIQERQS-IINYFYTJSA-N 1 1 312.341 2.599 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000451555073 429853973 /nfs/dbraw/zinc/85/39/73/429853973.db2.gz BAJZBOKNIQERQS-IINYFYTJSA-N 1 1 312.341 2.599 20 5 DFBDMO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451568702 429856225 /nfs/dbraw/zinc/85/62/25/429856225.db2.gz OAKSLHQOBQWFFY-UKRRQHHQSA-N 1 1 319.405 2.689 20 5 DFBDMO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451568702 429856226 /nfs/dbraw/zinc/85/62/26/429856226.db2.gz 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/nfs/dbraw/zinc/24/27/98/198242798.db2.gz JTDFDOXTYBQGOE-UHFFFAOYSA-N 1 1 314.341 2.998 20 5 DFBDMO Cc1cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000331997215 234367929 /nfs/dbraw/zinc/36/79/29/234367929.db2.gz BJIQZJXTVBCRQP-ZFWWWQNUSA-N 1 1 318.377 2.652 20 5 DFBDMO Cc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000174183052 198302469 /nfs/dbraw/zinc/30/24/69/198302469.db2.gz JLLJVISPQBXJNA-GOOCMWNKSA-N 1 1 317.389 2.648 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597861391 398706200 /nfs/dbraw/zinc/70/62/00/398706200.db2.gz SZSGIIPWGLSTRL-NSHDSACASA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597859324 398706330 /nfs/dbraw/zinc/70/63/30/398706330.db2.gz UONKGALSDGYRDO-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCc1noc3ccccc13)CC2 ZINC000593969896 398710698 /nfs/dbraw/zinc/71/06/98/398710698.db2.gz FTFCWNWGVDLLLA-UHFFFAOYSA-N 1 1 324.340 2.732 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000594017188 398721693 /nfs/dbraw/zinc/72/16/93/398721693.db2.gz UCFHMBJLPYALOO-CQSZACIVSA-N 1 1 308.378 2.730 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597924914 398721954 /nfs/dbraw/zinc/72/19/54/398721954.db2.gz UZMQFPNQLXAYNX-GFCCVEGCSA-N 1 1 305.378 2.506 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591149551 398732596 /nfs/dbraw/zinc/73/25/96/398732596.db2.gz GJXLGSHBLPBEGR-XHDPSFHLSA-N 1 1 300.362 2.895 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000047187785 398738736 /nfs/dbraw/zinc/73/87/36/398738736.db2.gz HMHNVRBFSGVWCK-CQSZACIVSA-N 1 1 319.405 2.837 20 5 DFBDMO CCCC[N@@H+](CC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132645033 283125401 /nfs/dbraw/zinc/12/54/01/283125401.db2.gz VZNOTLQMBVNCOV-HNNXBMFYSA-N 1 1 305.378 2.822 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000080160974 192008246 /nfs/dbraw/zinc/00/82/46/192008246.db2.gz YBWLKKDVZIHJRF-CYBMUJFWSA-N 1 1 320.393 2.709 20 5 DFBDMO COC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)oc1C ZINC000237174486 202177290 /nfs/dbraw/zinc/17/72/90/202177290.db2.gz ZUOSWIXDWLSNQP-UHFFFAOYSA-N 1 1 304.302 2.573 20 5 DFBDMO CCOc1cc(C[NH2+][C@H](CCO)c2ccco2)ccc1[N+](=O)[O-] ZINC000276846669 213130378 /nfs/dbraw/zinc/13/03/78/213130378.db2.gz CYZCJZNXGSDVSF-CYBMUJFWSA-N 1 1 320.345 2.800 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000598465280 398817021 /nfs/dbraw/zinc/81/70/21/398817021.db2.gz KWUKYKNTJBAOOP-ZDUSSCGKSA-N 1 1 321.421 2.935 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000598465703 398817130 /nfs/dbraw/zinc/81/71/30/398817130.db2.gz JEBGDOOOVDTHSL-UHFFFAOYSA-N 1 1 307.394 2.753 20 5 DFBDMO CCOC(=O)N1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000179746923 199075112 /nfs/dbraw/zinc/07/51/12/199075112.db2.gz WADVMNMXHCNKQG-UHFFFAOYSA-N 1 1 321.377 2.567 20 5 DFBDMO CCOC(=O)N1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000179746923 199075113 /nfs/dbraw/zinc/07/51/13/199075113.db2.gz WADVMNMXHCNKQG-UHFFFAOYSA-N 1 1 321.377 2.567 20 5 DFBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cscn1 ZINC000127330144 398820210 /nfs/dbraw/zinc/82/02/10/398820210.db2.gz VOQAGFSDOOQNAQ-SNVBAGLBSA-N 1 1 320.374 2.558 20 5 DFBDMO Nc1c(F)c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594597952 398827564 /nfs/dbraw/zinc/82/75/64/398827564.db2.gz FKGLEXUIXFLBEA-JQWIXIFHSA-N 1 1 308.357 2.745 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000052159778 398833603 /nfs/dbraw/zinc/83/36/03/398833603.db2.gz QCTVPDNCHARQEP-LLVKDONJSA-N 1 1 323.422 2.838 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)C3)s2)cc1 ZINC000179949996 199098038 /nfs/dbraw/zinc/09/80/38/199098038.db2.gz JTCRRRLOFMUHBK-CYBMUJFWSA-N 1 1 304.371 2.890 20 5 DFBDMO CC(=O)c1ccc(NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052207182 398835569 /nfs/dbraw/zinc/83/55/69/398835569.db2.gz CEPUBLYLGFXKEM-GFCCVEGCSA-N 1 1 305.378 2.941 20 5 DFBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000052607524 398847863 /nfs/dbraw/zinc/84/78/63/398847863.db2.gz YMKBFTQPMMOKNN-UHFFFAOYSA-N 1 1 308.378 2.865 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598678387 398854207 /nfs/dbraw/zinc/85/42/07/398854207.db2.gz XDZPKHYTUMYJCZ-WEJWTIOFSA-N 1 1 304.390 2.948 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000137653565 398876242 /nfs/dbraw/zinc/87/62/42/398876242.db2.gz AKESCMQAQJPXHR-LBPRGKRZSA-N 1 1 323.784 2.697 20 5 DFBDMO CCC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077212120 398888332 /nfs/dbraw/zinc/88/83/32/398888332.db2.gz SBJTYSBZOUGTIX-UHFFFAOYSA-N 1 1 305.378 2.680 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000595002963 398889327 /nfs/dbraw/zinc/88/93/27/398889327.db2.gz AAFUXFMNZCBGHW-LBPRGKRZSA-N 1 1 319.405 2.881 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000468739896 299281356 /nfs/dbraw/zinc/28/13/56/299281356.db2.gz SLNDKNNAEMSKDL-WASHYIJTSA-N 1 1 312.373 2.868 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000595012860 398892007 /nfs/dbraw/zinc/89/20/07/398892007.db2.gz PIXJLUKBNKNVOM-VXGBXAGGSA-N 1 1 307.394 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000595012860 398892010 /nfs/dbraw/zinc/89/20/10/398892010.db2.gz PIXJLUKBNKNVOM-VXGBXAGGSA-N 1 1 307.394 2.737 20 5 DFBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051201064 425882938 /nfs/dbraw/zinc/88/29/38/425882938.db2.gz ORGZOQSFRWVNFN-AWEZNQCLSA-N 1 1 306.362 2.678 20 5 DFBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000142231089 398897941 /nfs/dbraw/zinc/89/79/41/398897941.db2.gz GBMMBDNEEMLFNV-GFCCVEGCSA-N 1 1 323.780 2.559 20 5 DFBDMO C[C@@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000054389706 398899135 /nfs/dbraw/zinc/89/91/35/398899135.db2.gz WNGRCZUZMQYURU-GHMZBOCLSA-N 1 1 313.423 2.956 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000598994332 398905227 /nfs/dbraw/zinc/90/52/27/398905227.db2.gz KEKPIBANQVFGAR-CQSZACIVSA-N 1 1 321.421 2.815 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470182871 299293682 /nfs/dbraw/zinc/29/36/82/299293682.db2.gz OCPHWEHCRUBRIM-JZUUQJBKSA-N 1 1 318.373 2.883 20 5 DFBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000598998075 398905649 /nfs/dbraw/zinc/90/56/49/398905649.db2.gz LXAQTTPCQDUKLN-HNNXBMFYSA-N 1 1 307.369 2.840 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c(F)c1 ZINC000598998075 398905653 /nfs/dbraw/zinc/90/56/53/398905653.db2.gz LXAQTTPCQDUKLN-HNNXBMFYSA-N 1 1 307.369 2.840 20 5 DFBDMO CO[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)[C@@H]1CCOC1 ZINC000595296074 398917865 /nfs/dbraw/zinc/91/78/65/398917865.db2.gz XDFBIWPONCOIJF-WBVHZDCISA-N 1 1 322.405 2.857 20 5 DFBDMO CCC(F)(F)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599068493 398916476 /nfs/dbraw/zinc/91/64/76/398916476.db2.gz NIMVGPMWLIEZKS-WDEREUQCSA-N 1 1 302.325 2.910 20 5 DFBDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595301687 398919712 /nfs/dbraw/zinc/91/97/12/398919712.db2.gz MZULNUIBQRHOPX-CYBMUJFWSA-N 1 1 310.325 2.652 20 5 DFBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595301687 398919714 /nfs/dbraw/zinc/91/97/14/398919714.db2.gz MZULNUIBQRHOPX-CYBMUJFWSA-N 1 1 310.325 2.652 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000595348083 398925825 /nfs/dbraw/zinc/92/58/25/398925825.db2.gz YTMVSHSBVZUWJF-UHFFFAOYSA-N 1 1 304.325 2.837 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599125685 398925323 /nfs/dbraw/zinc/92/53/23/398925323.db2.gz AHASCIBFGBDQAK-AWEZNQCLSA-N 1 1 321.425 2.939 20 5 DFBDMO Cc1c[nH+]cn1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000599149498 398929385 /nfs/dbraw/zinc/92/93/85/398929385.db2.gz NLHNFAOGGOZEBS-UHFFFAOYSA-N 1 1 316.361 2.537 20 5 DFBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189084455 200346166 /nfs/dbraw/zinc/34/61/66/200346166.db2.gz BBZAREJVNTYMEV-CYBMUJFWSA-N 1 1 319.405 2.790 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595381077 398930312 /nfs/dbraw/zinc/93/03/12/398930312.db2.gz ITUPSLHMGZAIDX-GJZGRUSLSA-N 1 1 307.369 2.793 20 5 DFBDMO CO[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C ZINC000189272410 200374050 /nfs/dbraw/zinc/37/40/50/200374050.db2.gz ZVCARNDTMJBHSP-HZMBPMFUSA-N 1 1 305.334 2.593 20 5 DFBDMO CO[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C ZINC000189272410 200374052 /nfs/dbraw/zinc/37/40/52/200374052.db2.gz ZVCARNDTMJBHSP-HZMBPMFUSA-N 1 1 305.334 2.593 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000595409701 398933380 /nfs/dbraw/zinc/93/33/80/398933380.db2.gz FYJUCQBRPKSTJX-HNNXBMFYSA-N 1 1 304.321 2.947 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595424409 398935525 /nfs/dbraw/zinc/93/55/25/398935525.db2.gz MGPDXGFENVAMGR-ZFWWWQNUSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595424409 398935527 /nfs/dbraw/zinc/93/55/27/398935527.db2.gz MGPDXGFENVAMGR-ZFWWWQNUSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595424407 398935461 /nfs/dbraw/zinc/93/54/61/398935461.db2.gz MGPDXGFENVAMGR-HIFRSBDPSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000595424407 398935465 /nfs/dbraw/zinc/93/54/65/398935465.db2.gz MGPDXGFENVAMGR-HIFRSBDPSA-N 1 1 310.369 2.963 20 5 DFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCc2nccn2C1 ZINC000595444110 398940051 /nfs/dbraw/zinc/94/00/51/398940051.db2.gz KZGCBZZUKFYMDY-LBPRGKRZSA-N 1 1 318.352 2.625 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000595467531 398945352 /nfs/dbraw/zinc/94/53/52/398945352.db2.gz MTSZBFWQKJKDRN-OAHLLOKOSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000595467531 398945353 /nfs/dbraw/zinc/94/53/53/398945353.db2.gz MTSZBFWQKJKDRN-OAHLLOKOSA-N 1 1 317.320 2.782 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1[N+](=O)[O-] ZINC000595470521 398945360 /nfs/dbraw/zinc/94/53/60/398945360.db2.gz ONNWDGHFNOETBX-CABNGKKXSA-N 1 1 323.393 2.653 20 5 DFBDMO CC(C)=CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000595504469 398952472 /nfs/dbraw/zinc/95/24/72/398952472.db2.gz CYUAHIZCRVKMRB-UHFFFAOYSA-N 1 1 317.389 2.709 20 5 DFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000595507154 398953106 /nfs/dbraw/zinc/95/31/06/398953106.db2.gz KPMQCMCPQLQWHR-MRXNPFEDSA-N 1 1 307.369 2.652 20 5 DFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595508193 398953545 /nfs/dbraw/zinc/95/35/45/398953545.db2.gz VFETWPJUURUWHF-MRXNPFEDSA-N 1 1 307.369 2.652 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000613383108 398967842 /nfs/dbraw/zinc/96/78/42/398967842.db2.gz UDRBUVUJBZCZHB-QMMMGPOBSA-N 1 1 304.268 2.830 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000613383108 398967844 /nfs/dbraw/zinc/96/78/44/398967844.db2.gz UDRBUVUJBZCZHB-QMMMGPOBSA-N 1 1 304.268 2.830 20 5 DFBDMO CC(C)[N@@H+](CCCN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000193478649 201058738 /nfs/dbraw/zinc/05/87/38/201058738.db2.gz RYXBBBLLBMTTIX-UHFFFAOYSA-N 1 1 321.421 2.528 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000193681776 201103302 /nfs/dbraw/zinc/10/33/02/201103302.db2.gz CYSGGTKCQVHTJM-LLVKDONJSA-N 1 1 321.333 2.504 20 5 DFBDMO CC(C)(C)CNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000599425469 398978550 /nfs/dbraw/zinc/97/85/50/398978550.db2.gz IRGUCVBLVMWARQ-UHFFFAOYSA-N 1 1 307.394 2.582 20 5 DFBDMO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCc2ccccc2C1 ZINC000195508051 201396625 /nfs/dbraw/zinc/39/66/25/201396625.db2.gz TUDSUKLRFCXJMM-LLVKDONJSA-N 1 1 318.402 2.910 20 5 DFBDMO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@H+]1CCc2ccccc2C1 ZINC000195508051 201396629 /nfs/dbraw/zinc/39/66/29/201396629.db2.gz TUDSUKLRFCXJMM-LLVKDONJSA-N 1 1 318.402 2.910 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)nc2c1 ZINC000599552470 399012305 /nfs/dbraw/zinc/01/23/05/399012305.db2.gz DDRSDHDEEDQZPP-NEPJUHHUSA-N 1 1 318.402 2.941 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091673032 193088806 /nfs/dbraw/zinc/08/88/06/193088806.db2.gz ZWRAAFGVBNHGDW-VXGBXAGGSA-N 1 1 311.769 2.523 20 5 DFBDMO Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000092043255 193145683 /nfs/dbraw/zinc/14/56/83/193145683.db2.gz LLZYSDMWHPURHL-CVEARBPZSA-N 1 1 303.406 2.819 20 5 DFBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245533748 291363063 /nfs/dbraw/zinc/36/30/63/291363063.db2.gz VKDIVQYTNQNOKR-CHWSQXEVSA-N 1 1 306.362 2.849 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000079550617 399057345 /nfs/dbraw/zinc/05/73/45/399057345.db2.gz NUWZPMJFEYDLDJ-ZIAGYGMSSA-N 1 1 318.377 2.652 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600469277 399058855 /nfs/dbraw/zinc/05/88/55/399058855.db2.gz IWKKRHQMLGLVPX-AWEZNQCLSA-N 1 1 317.389 2.650 20 5 DFBDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000057877731 399068652 /nfs/dbraw/zinc/06/86/52/399068652.db2.gz IWODVSRRZBNBRO-UHFFFAOYSA-N 1 1 300.362 2.924 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1=CCCOC1 ZINC000595754591 399070874 /nfs/dbraw/zinc/07/08/74/399070874.db2.gz YJVAAHZBVCRVLI-UHFFFAOYSA-N 1 1 306.362 2.772 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1=CCCOC1 ZINC000595754591 399070876 /nfs/dbraw/zinc/07/08/76/399070876.db2.gz YJVAAHZBVCRVLI-UHFFFAOYSA-N 1 1 306.362 2.772 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595760159 399074585 /nfs/dbraw/zinc/07/45/85/399074585.db2.gz SGPFYBJBYZEYQI-PBHICJAKSA-N 1 1 320.389 2.850 20 5 DFBDMO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000613779216 399080984 /nfs/dbraw/zinc/08/09/84/399080984.db2.gz RURMPOVQSNQEJS-AWEZNQCLSA-N 1 1 318.377 2.509 20 5 DFBDMO COC(=O)c1cc(NCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000079914708 399097397 /nfs/dbraw/zinc/09/73/97/399097397.db2.gz RILRDKZVNQHVRG-LBPRGKRZSA-N 1 1 321.377 2.525 20 5 DFBDMO COc1ccc(OCCn2cc[nH+]c2C2CC2)c([N+](=O)[O-])c1 ZINC000600611680 399097982 /nfs/dbraw/zinc/09/79/82/399097982.db2.gz TVHLEASWGXPDME-UHFFFAOYSA-N 1 1 303.318 2.756 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1cc[nH+]c1C1CC1 ZINC000600614696 399099051 /nfs/dbraw/zinc/09/90/51/399099051.db2.gz UUYIWBMJZGLTSE-UHFFFAOYSA-N 1 1 300.318 2.616 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccon2)CC1 ZINC000595827726 399101216 /nfs/dbraw/zinc/10/12/16/399101216.db2.gz GKYXBPZNLBBDON-UHFFFAOYSA-N 1 1 317.345 2.971 20 5 DFBDMO COCCCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000419387433 296138884 /nfs/dbraw/zinc/13/88/84/296138884.db2.gz JORALWNQGZJTFB-UHFFFAOYSA-N 1 1 320.349 2.503 20 5 DFBDMO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000340901165 284217039 /nfs/dbraw/zinc/21/70/39/284217039.db2.gz ODOSSMDHFUEBIY-RYUDHWBXSA-N 1 1 307.394 2.939 20 5 DFBDMO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595920407 399136498 /nfs/dbraw/zinc/13/64/98/399136498.db2.gz SCODZRWBLLVPHM-NHYWBVRUSA-N 1 1 314.332 2.882 20 5 DFBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595920407 399136507 /nfs/dbraw/zinc/13/65/07/399136507.db2.gz SCODZRWBLLVPHM-NHYWBVRUSA-N 1 1 314.332 2.882 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264577415 204007235 /nfs/dbraw/zinc/00/72/35/204007235.db2.gz BCOGCQZREQQYCE-CHWSQXEVSA-N 1 1 318.295 2.525 20 5 DFBDMO Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)cc1[N+](=O)[O-] ZINC000080464143 399150266 /nfs/dbraw/zinc/15/02/66/399150266.db2.gz USWGALZWUTVBLN-GXTWGEPZSA-N 1 1 303.362 2.716 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000264872846 204225679 /nfs/dbraw/zinc/22/56/79/204225679.db2.gz BBAARQFNKCESEA-GFCCVEGCSA-N 1 1 311.407 2.651 20 5 DFBDMO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CC[NH2+]CC1(F)F ZINC000420287119 296169671 /nfs/dbraw/zinc/16/96/71/296169671.db2.gz QUTVTMWUBUUMHU-JTQLQIEISA-N 1 1 322.315 2.800 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596077358 399164282 /nfs/dbraw/zinc/16/42/82/399164282.db2.gz UVYAMIAEKAGGGN-GFCCVEGCSA-N 1 1 308.382 2.762 20 5 DFBDMO COc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596091521 399169610 /nfs/dbraw/zinc/16/96/10/399169610.db2.gz MBFSTEBKJYQWAB-VIFPVBQESA-N 1 1 311.769 2.905 20 5 DFBDMO Cc1[nH+]ccn1CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000282540069 217072470 /nfs/dbraw/zinc/07/24/70/217072470.db2.gz RGYHNFMLEIRQNC-UHFFFAOYSA-N 1 1 322.752 2.573 20 5 DFBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596105537 399175123 /nfs/dbraw/zinc/17/51/23/399175123.db2.gz UOVLDOOFNVZVQS-LLVKDONJSA-N 1 1 308.382 2.618 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000266117503 205111189 /nfs/dbraw/zinc/11/11/89/205111189.db2.gz IIVWXQJJFKTFBB-LBPRGKRZSA-N 1 1 311.407 2.603 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000266187663 205169019 /nfs/dbraw/zinc/16/90/19/205169019.db2.gz FFIOHXCLIRDWLA-CYBMUJFWSA-N 1 1 307.394 2.772 20 5 DFBDMO Cc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000266311995 205256391 /nfs/dbraw/zinc/25/63/91/205256391.db2.gz GWASZHOXABYVHW-GOOCMWNKSA-N 1 1 317.389 2.648 20 5 DFBDMO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000601003790 399200003 /nfs/dbraw/zinc/20/00/03/399200003.db2.gz SEFTWIRCZLRMKD-TUKIKUTGSA-N 1 1 305.378 2.502 20 5 DFBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000420636882 296194792 /nfs/dbraw/zinc/19/47/92/296194792.db2.gz NZGPOCCTIQMJGC-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601020853 399205020 /nfs/dbraw/zinc/20/50/20/399205020.db2.gz GHZXIAXFJXHWJI-GFCCVEGCSA-N 1 1 323.368 2.584 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000063727216 399205094 /nfs/dbraw/zinc/20/50/94/399205094.db2.gz RCGMULSTEAOWGO-UHFFFAOYSA-N 1 1 311.407 2.603 20 5 DFBDMO COC(=O)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601100660 399226834 /nfs/dbraw/zinc/22/68/34/399226834.db2.gz YSXBALDHXFHSAI-UHFFFAOYSA-N 1 1 315.329 2.532 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601105697 399228486 /nfs/dbraw/zinc/22/84/86/399228486.db2.gz MIMXXRYVJLMRNG-MBNYWOFBSA-N 1 1 322.384 2.971 20 5 DFBDMO Cc1nn(C)c(C)c1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601109624 399229969 /nfs/dbraw/zinc/22/99/69/399229969.db2.gz SRNDXYKNXOQTSJ-UHFFFAOYSA-N 1 1 311.345 2.527 20 5 DFBDMO COC(=O)[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601119863 399233447 /nfs/dbraw/zinc/23/34/47/399233447.db2.gz DNMRHFGNCGSPHQ-NSHDSACASA-N 1 1 315.329 2.532 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000267431686 206061865 /nfs/dbraw/zinc/06/18/65/206061865.db2.gz MSJGSBILQXSSOX-ZDUSSCGKSA-N 1 1 316.361 2.576 20 5 DFBDMO CCOCCOCCN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601153113 399242569 /nfs/dbraw/zinc/24/25/69/399242569.db2.gz JNIXRABMGXDKDW-UHFFFAOYSA-N 1 1 319.361 2.632 20 5 DFBDMO CCc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC000601150347 399241917 /nfs/dbraw/zinc/24/19/17/399241917.db2.gz WCKIUZLXXLUMKL-MRXNPFEDSA-N 1 1 304.346 2.748 20 5 DFBDMO C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1C ZINC000601169932 399246101 /nfs/dbraw/zinc/24/61/01/399246101.db2.gz SFZFFRCMCNSDQV-TXEJJXNPSA-N 1 1 300.362 2.672 20 5 DFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000065674880 399248665 /nfs/dbraw/zinc/24/86/65/399248665.db2.gz WEPKIIIZWZYBIQ-QWRGUYRKSA-N 1 1 311.407 2.507 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[N@H+]1C ZINC000420999778 296222563 /nfs/dbraw/zinc/22/25/63/296222563.db2.gz JSIFDXLADQFPOD-OAHLLOKOSA-N 1 1 307.394 2.520 20 5 DFBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000601198782 399253214 /nfs/dbraw/zinc/25/32/14/399253214.db2.gz HRXAFXKMIOPPSJ-BZNIZROVSA-N 1 1 301.346 2.598 20 5 DFBDMO C[NH+](C)CCC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283674312 217712488 /nfs/dbraw/zinc/71/24/88/217712488.db2.gz VMWSQXXKLKMKEH-UHFFFAOYSA-N 1 1 309.385 2.898 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421065694 296232686 /nfs/dbraw/zinc/23/26/86/296232686.db2.gz KNPQDISFRGJYLE-CYBMUJFWSA-N 1 1 320.393 2.770 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000601321709 399277867 /nfs/dbraw/zinc/27/78/67/399277867.db2.gz VDZURMYROBICJQ-BXUZGUMPSA-N 1 1 316.361 2.986 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601365169 399281811 /nfs/dbraw/zinc/28/18/11/399281811.db2.gz QQAGIWZJSQUKLB-GFCCVEGCSA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000421525200 296263025 /nfs/dbraw/zinc/26/30/25/296263025.db2.gz FKWZIXQCDJPJIZ-UONOGXRCSA-N 1 1 317.389 2.568 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042243602 183246192 /nfs/dbraw/zinc/24/61/92/183246192.db2.gz NNOZQELOPAGISQ-CQSZACIVSA-N 1 1 317.389 2.748 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000609222356 399309530 /nfs/dbraw/zinc/30/95/30/399309530.db2.gz FHICTPPJBUWYQF-UHFFFAOYSA-N 1 1 312.329 2.770 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000615239433 399315910 /nfs/dbraw/zinc/31/59/10/399315910.db2.gz OXSZZHLBETXPLJ-ZDUSSCGKSA-N 1 1 305.378 2.542 20 5 DFBDMO CC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000609540925 399321960 /nfs/dbraw/zinc/32/19/60/399321960.db2.gz RWJBDQACTHLMPX-ZFWWWQNUSA-N 1 1 308.378 2.863 20 5 DFBDMO Cc1[nH+]ccn1[C@H]1CCCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000609670584 399329690 /nfs/dbraw/zinc/32/96/90/399329690.db2.gz YNDWLVNZKNUPAI-ZDUSSCGKSA-N 1 1 301.350 2.645 20 5 DFBDMO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000284490512 218049804 /nfs/dbraw/zinc/04/98/04/218049804.db2.gz BWJFWGIMKOQRNR-IXDOHACOSA-N 1 1 320.389 2.611 20 5 DFBDMO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000284490512 218049808 /nfs/dbraw/zinc/04/98/08/218049808.db2.gz BWJFWGIMKOQRNR-IXDOHACOSA-N 1 1 320.389 2.611 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610133304 399343739 /nfs/dbraw/zinc/34/37/39/399343739.db2.gz BRAZZIHQOOMYNF-WDEREUQCSA-N 1 1 302.334 2.875 20 5 DFBDMO COC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC(C)(C)O1 ZINC000284546970 218072834 /nfs/dbraw/zinc/07/28/34/218072834.db2.gz MEUHGNQFYYQYHI-CQSZACIVSA-N 1 1 308.378 2.529 20 5 DFBDMO COC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC(C)(C)O1 ZINC000284546970 218072837 /nfs/dbraw/zinc/07/28/37/218072837.db2.gz MEUHGNQFYYQYHI-CQSZACIVSA-N 1 1 308.378 2.529 20 5 DFBDMO CCC(=O)c1ccc(N[C@H]2C[N@@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000619484864 399352654 /nfs/dbraw/zinc/35/26/54/399352654.db2.gz KKEYXSHDXJNXPL-RISCZKNCSA-N 1 1 305.378 2.940 20 5 DFBDMO Cc1[nH+]ccn1[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000610430942 399367316 /nfs/dbraw/zinc/36/73/16/399367316.db2.gz KLBFVLHPFOATMX-CYBMUJFWSA-N 1 1 301.350 2.645 20 5 DFBDMO CC(C)N1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284989326 218250199 /nfs/dbraw/zinc/25/01/99/218250199.db2.gz GKYSPTBFRVSBQN-GFCCVEGCSA-N 1 1 306.410 2.700 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601971000 399372062 /nfs/dbraw/zinc/37/20/62/399372062.db2.gz SMTMHVMORNYBPW-WFASDCNBSA-N 1 1 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NC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000423181721 296389444 /nfs/dbraw/zinc/38/94/44/296389444.db2.gz PIVDCUICBSSSEW-ZIAGYGMSSA-N 1 1 321.425 2.526 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000157659787 197205577 /nfs/dbraw/zinc/20/55/77/197205577.db2.gz IEOXVYNUOLAQMR-UHFFFAOYSA-N 1 1 321.402 2.995 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120313261 195141361 /nfs/dbraw/zinc/14/13/61/195141361.db2.gz UAEOUNGXGLUPKZ-OAGGEKHMSA-N 1 1 320.389 2.719 20 5 DFBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000602797949 399578168 /nfs/dbraw/zinc/57/81/68/399578168.db2.gz DJQONXNRNZATTQ-MRVPVSSYSA-N 1 1 312.732 2.972 20 5 DFBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000291625274 285186714 /nfs/dbraw/zinc/18/67/14/285186714.db2.gz KWHOCAUCIXHRDY-CYBMUJFWSA-N 1 1 312.373 2.818 20 5 DFBDMO CSc1ccccc1[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602823796 399590200 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COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000120384352 195155866 /nfs/dbraw/zinc/15/58/66/195155866.db2.gz CJXOUHGKFASPRM-UHFFFAOYSA-N 1 1 308.378 2.852 20 5 DFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCCC1 ZINC000449066515 297399929 /nfs/dbraw/zinc/39/99/29/297399929.db2.gz CJSVFNQHHNJGBR-HNNXBMFYSA-N 1 1 305.422 2.991 20 5 DFBDMO COc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(OC)n1 ZINC000289504735 221025477 /nfs/dbraw/zinc/02/54/77/221025477.db2.gz HLPYEVCNLBNPIV-UHFFFAOYSA-N 1 1 317.345 2.605 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289570153 221075093 /nfs/dbraw/zinc/07/50/93/221075093.db2.gz JLNMVFMUSIHYTM-FKEKPDDDSA-N 1 1 303.406 2.960 20 5 DFBDMO COC(=O)[C@@]1(C)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000602925812 399630317 /nfs/dbraw/zinc/63/03/17/399630317.db2.gz DSJUTGSGUNDKRA-MKBNYLNASA-N 1 1 306.362 2.787 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000289770796 221214492 /nfs/dbraw/zinc/21/44/92/221214492.db2.gz LFZOPAPBSXWTBL-UHFFFAOYSA-N 1 1 318.377 2.541 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289901478 221303285 /nfs/dbraw/zinc/30/32/85/221303285.db2.gz WUPCXJXICLVDFN-MXPBJDKBSA-N 1 1 314.385 2.963 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCC[N@H+](CCCO)C1 ZINC000294944920 224329589 /nfs/dbraw/zinc/32/95/89/224329589.db2.gz LOEMECFROKYRNG-LBPRGKRZSA-N 1 1 313.785 2.507 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997656 399655214 /nfs/dbraw/zinc/65/52/14/399655214.db2.gz OLGHYFQIDOPGHX-XHSDSOJGSA-N 1 1 320.389 2.729 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000602999945 399655408 /nfs/dbraw/zinc/65/54/08/399655408.db2.gz PYDYZPSWJRXAMB-HNNXBMFYSA-N 1 1 319.405 2.659 20 5 DFBDMO CC[NH+](CC)Cc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000603213871 399711953 /nfs/dbraw/zinc/71/19/53/399711953.db2.gz BLCCJGQPUJOVQX-UHFFFAOYSA-N 1 1 323.784 2.730 20 5 DFBDMO Cc1nc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000603415565 399771203 /nfs/dbraw/zinc/77/12/03/399771203.db2.gz KYNYQBZFWOMKCU-HOTGVXAUSA-N 1 1 324.384 2.761 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000146475877 542660333 /nfs/dbraw/zinc/66/03/33/542660333.db2.gz MGQAVVZUXNUZRO-CQSZACIVSA-N 1 1 317.389 2.732 20 5 DFBDMO Cc1ccnc(NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000301293914 543045452 /nfs/dbraw/zinc/04/54/52/543045452.db2.gz ONUIIXPNBZNOAS-UHFFFAOYSA-N 1 1 318.402 2.830 20 5 DFBDMO Cc1ccnc(NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000301293914 543045457 /nfs/dbraw/zinc/04/54/57/543045457.db2.gz ONUIIXPNBZNOAS-UHFFFAOYSA-N 1 1 318.402 2.830 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000604553982 399855689 /nfs/dbraw/zinc/85/56/89/399855689.db2.gz IMLPXVWXPVPXMQ-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000052661922 425885372 /nfs/dbraw/zinc/88/53/72/425885372.db2.gz VYOYAYTVLUWZOI-ZDUSSCGKSA-N 1 1 320.393 2.981 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000172863272 145321311 /nfs/dbraw/zinc/32/13/11/145321311.db2.gz WXJFCFSKFXGFEH-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000174062489 145365865 /nfs/dbraw/zinc/36/58/65/145365865.db2.gz FDBOAHSTZQPUCZ-XQQFMLRXSA-N 1 1 305.378 2.645 20 5 DFBDMO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418612 146068021 /nfs/dbraw/zinc/06/80/21/146068021.db2.gz GQKXFMFDBARYHZ-LSDHHAIUSA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418612 146068022 /nfs/dbraw/zinc/06/80/22/146068022.db2.gz GQKXFMFDBARYHZ-LSDHHAIUSA-N 1 1 321.421 2.636 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418612 146068025 /nfs/dbraw/zinc/06/80/25/146068025.db2.gz GQKXFMFDBARYHZ-LSDHHAIUSA-N 1 1 321.421 2.636 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245418612 146068028 /nfs/dbraw/zinc/06/80/28/146068028.db2.gz GQKXFMFDBARYHZ-LSDHHAIUSA-N 1 1 321.421 2.636 20 5 DFBDMO Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246194971 146128794 /nfs/dbraw/zinc/12/87/94/146128794.db2.gz LLZYSDMWHPURHL-HOTGVXAUSA-N 1 1 303.406 2.819 20 5 DFBDMO CCCO[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246225888 146132203 /nfs/dbraw/zinc/13/22/03/146132203.db2.gz FHGZHMLKIQEPNS-IAGOWNOFSA-N 1 1 322.405 2.909 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246669918 146148724 /nfs/dbraw/zinc/14/87/24/146148724.db2.gz MBDOEGIJIAKKTM-BLLLJJGKSA-N 1 1 306.362 2.604 20 5 DFBDMO Cc1c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247354143 146166524 /nfs/dbraw/zinc/16/65/24/146166524.db2.gz PNOUJUGHMIYIIY-DGCLKSJQSA-N 1 1 318.377 2.604 20 5 DFBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000249698504 146203650 /nfs/dbraw/zinc/20/36/50/146203650.db2.gz CUOACFFTVDJHKV-VXGBXAGGSA-N 1 1 323.368 2.584 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000251708584 146215365 /nfs/dbraw/zinc/21/53/65/146215365.db2.gz KIGNDUYFVWZUBJ-MEBBXXQBSA-N 1 1 312.341 2.599 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000251708584 146215367 /nfs/dbraw/zinc/21/53/67/146215367.db2.gz KIGNDUYFVWZUBJ-MEBBXXQBSA-N 1 1 312.341 2.599 20 5 DFBDMO Nc1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000261999309 146318965 /nfs/dbraw/zinc/31/89/65/146318965.db2.gz LDJZRGQEUHSZFB-UHFFFAOYSA-N 1 1 304.375 2.798 20 5 DFBDMO Nc1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000261999309 146318970 /nfs/dbraw/zinc/31/89/70/146318970.db2.gz LDJZRGQEUHSZFB-UHFFFAOYSA-N 1 1 304.375 2.798 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000354371752 147011296 /nfs/dbraw/zinc/01/12/96/147011296.db2.gz JRINKVBOXZGLPD-CQSZACIVSA-N 1 1 319.405 2.898 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354413754 147027704 /nfs/dbraw/zinc/02/77/04/147027704.db2.gz YFTXMSTZHHCUNW-OCCSQVGLSA-N 1 1 305.378 2.540 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354419552 147029785 /nfs/dbraw/zinc/02/97/85/147029785.db2.gz XJQPBNHFHLLQBE-HNNXBMFYSA-N 1 1 319.405 2.898 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354435488 147034681 /nfs/dbraw/zinc/03/46/81/147034681.db2.gz PIQCYJGHNMNZRM-CMPLNLGQSA-N 1 1 311.407 2.601 20 5 DFBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccon1 ZINC000349830019 285950237 /nfs/dbraw/zinc/95/02/37/285950237.db2.gz DRMDIPPXSRXXJP-QWRGUYRKSA-N 1 1 318.333 2.651 20 5 DFBDMO CC[N@@H+](CCC1CC1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000355046884 147219802 /nfs/dbraw/zinc/21/98/02/147219802.db2.gz ZZZAPHIARKTYKV-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000355339660 147273333 /nfs/dbraw/zinc/27/33/33/147273333.db2.gz UUJCHRIIODTLDX-KBPBESRZSA-N 1 1 324.425 2.744 20 5 DFBDMO CC(C)(C)[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000355354515 147281523 /nfs/dbraw/zinc/28/15/23/147281523.db2.gz LIYSMWBGMRNNLR-GOEBONIOSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1cccc(NCCNc2nc3sccn3c2[N+](=O)[O-])[nH+]1 ZINC000357885921 148163466 /nfs/dbraw/zinc/16/34/66/148163466.db2.gz GQGDFGOFRPOKCB-UHFFFAOYSA-N 1 1 318.362 2.531 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358310488 148325453 /nfs/dbraw/zinc/32/54/53/148325453.db2.gz RAOVBUNRVLMRLU-CYBMUJFWSA-N 1 1 307.394 2.753 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000358324669 148329577 /nfs/dbraw/zinc/32/95/77/148329577.db2.gz UUMDFBKWVQDKGP-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO Cc1cc(Cc2noc([C@H]3C[N@H+](C)C[C@@H]3C)n2)ccc1[N+](=O)[O-] ZINC000361263839 149070283 /nfs/dbraw/zinc/07/02/83/149070283.db2.gz WEWJQEXFKCEDMR-AAEUAGOBSA-N 1 1 316.361 2.542 20 5 DFBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)(C)C ZINC000361530063 149140496 /nfs/dbraw/zinc/14/04/96/149140496.db2.gz YBQJOKFGBQNNDF-UHFFFAOYSA-N 1 1 319.405 2.852 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000361652149 149180934 /nfs/dbraw/zinc/18/09/34/149180934.db2.gz HUIUKXXQKFUYER-ZIAGYGMSSA-N 1 1 318.377 2.652 20 5 DFBDMO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000361659412 149183736 /nfs/dbraw/zinc/18/37/36/149183736.db2.gz ZUZFDSYOBOFDHZ-VXGBXAGGSA-N 1 1 323.418 2.745 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000361659412 149183740 /nfs/dbraw/zinc/18/37/40/149183740.db2.gz ZUZFDSYOBOFDHZ-VXGBXAGGSA-N 1 1 323.418 2.745 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1CO ZINC000361661702 149185098 /nfs/dbraw/zinc/18/50/98/149185098.db2.gz OGRWJAIURZQBTD-JSGCOSHPSA-N 1 1 316.357 2.915 20 5 DFBDMO Cc1ccc(NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000362742503 149355848 /nfs/dbraw/zinc/35/58/48/149355848.db2.gz RXUUILOTIMRNHW-OAHLLOKOSA-N 1 1 320.393 2.707 20 5 DFBDMO COc1ccc(CN2CCC[N@@H+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000369583436 149806557 /nfs/dbraw/zinc/80/65/57/149806557.db2.gz IXXFPKBCNFNMFD-UHFFFAOYSA-N 1 1 321.421 2.767 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1noc([C@H]2CCc3[nH+]ccn3C2)n1 ZINC000370013307 149871175 /nfs/dbraw/zinc/87/11/75/149871175.db2.gz WVLPKWGCSWUCHI-JTQLQIEISA-N 1 1 311.301 2.571 20 5 DFBDMO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000371332863 150024929 /nfs/dbraw/zinc/02/49/29/150024929.db2.gz BJTVKRVVPPQNAX-BOTMBNHJSA-N 1 1 313.361 2.606 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000371546300 150063194 /nfs/dbraw/zinc/06/31/94/150063194.db2.gz ZICHPSAXRDKMCH-UXILZDJPSA-N 1 1 301.390 2.634 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCOCC3)o2)c1 ZINC000371557059 150065437 /nfs/dbraw/zinc/06/54/37/150065437.db2.gz NLFUVAMSKPPUEE-UHFFFAOYSA-N 1 1 317.345 2.515 20 5 DFBDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000371942186 150115473 /nfs/dbraw/zinc/11/54/73/150115473.db2.gz CQOXZFJOWBEWRL-MRXNPFEDSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000371942186 150115476 /nfs/dbraw/zinc/11/54/76/150115476.db2.gz CQOXZFJOWBEWRL-MRXNPFEDSA-N 1 1 300.362 2.974 20 5 DFBDMO CN(C[C@@H]1CCn2cc[nH+]c2C1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000373047585 150221346 /nfs/dbraw/zinc/22/13/46/150221346.db2.gz RXMOMSOZZHYIIK-SNVBAGLBSA-N 1 1 322.315 2.768 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC23CCC3)c2c(c1)COCO2 ZINC000373103406 150231166 /nfs/dbraw/zinc/23/11/66/150231166.db2.gz GCOHDQLUJVLZMK-UHFFFAOYSA-N 1 1 304.346 2.980 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000373776315 150256146 /nfs/dbraw/zinc/25/61/46/150256146.db2.gz GQGNWJPEHONEDQ-HNNXBMFYSA-N 1 1 316.361 2.674 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000373776315 150256149 /nfs/dbraw/zinc/25/61/49/150256149.db2.gz GQGNWJPEHONEDQ-HNNXBMFYSA-N 1 1 316.361 2.674 20 5 DFBDMO COc1cc(C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351632281 286176088 /nfs/dbraw/zinc/17/60/88/286176088.db2.gz WZIRLXULXBGZMV-OCCSQVGLSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351647801 286181840 /nfs/dbraw/zinc/18/18/40/286181840.db2.gz JRQRKTCNGOPMTR-GHMZBOCLSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351647801 286181845 /nfs/dbraw/zinc/18/18/45/286181845.db2.gz JRQRKTCNGOPMTR-GHMZBOCLSA-N 1 1 314.332 2.856 20 5 DFBDMO COc1cc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000351937294 286250158 /nfs/dbraw/zinc/25/01/58/286250158.db2.gz POIJOIDTNSVCDN-HIFRSBDPSA-N 1 1 319.405 2.662 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352045060 286278711 /nfs/dbraw/zinc/27/87/11/286278711.db2.gz IWKYISWFPQNXSE-NSHDSACASA-N 1 1 313.348 2.789 20 5 DFBDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000352050278 286279962 /nfs/dbraw/zinc/27/99/62/286279962.db2.gz YYTLPMYRANUUSS-HNNXBMFYSA-N 1 1 319.405 2.518 20 5 DFBDMO COc1ccccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352143230 286303241 /nfs/dbraw/zinc/30/32/41/286303241.db2.gz OUEVORFEEXHWQC-UHFFFAOYSA-N 1 1 312.329 2.770 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360076 286353063 /nfs/dbraw/zinc/35/30/63/286353063.db2.gz LOKAEPJQRLXRHS-DOMZBBRYSA-N 1 1 314.389 2.919 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(F)c1 ZINC000352372461 286356722 /nfs/dbraw/zinc/35/67/22/286356722.db2.gz SLXSQKZDKLAQJJ-HNNXBMFYSA-N 1 1 312.316 2.876 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@]3(C2)CCCOC3)c(F)c1 ZINC000352372461 286356724 /nfs/dbraw/zinc/35/67/24/286356724.db2.gz SLXSQKZDKLAQJJ-HNNXBMFYSA-N 1 1 312.316 2.876 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000352382851 286359478 /nfs/dbraw/zinc/35/94/78/286359478.db2.gz SXCKNANUPVJUNM-UHFFFAOYSA-N 1 1 318.377 2.538 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352417081 286368135 /nfs/dbraw/zinc/36/81/35/286368135.db2.gz MRIHVYRJVMPLIQ-INIZCTEOSA-N 1 1 316.357 2.769 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246214775 292288887 /nfs/dbraw/zinc/28/88/87/292288887.db2.gz ASBVDWGSGIXGQI-ZFWWWQNUSA-N 1 1 316.405 2.751 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000182913158 292294983 /nfs/dbraw/zinc/29/49/83/292294983.db2.gz VXPUNUCUHBBZSI-CYBMUJFWSA-N 1 1 306.362 2.803 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC000182913158 292294984 /nfs/dbraw/zinc/29/49/84/292294984.db2.gz VXPUNUCUHBBZSI-CYBMUJFWSA-N 1 1 306.362 2.803 20 5 DFBDMO C[C@H](NCc1ncc(C[NH+](C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000352773522 286463443 /nfs/dbraw/zinc/46/34/43/286463443.db2.gz UCSWZKDAQLMXQJ-NSHDSACASA-N 1 1 320.418 2.964 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184239015 158030433 /nfs/dbraw/zinc/03/04/33/158030433.db2.gz GPJXPUYIOXQPCS-IAQYHMDHSA-N 1 1 324.352 2.743 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184239015 158030434 /nfs/dbraw/zinc/03/04/34/158030434.db2.gz GPJXPUYIOXQPCS-IAQYHMDHSA-N 1 1 324.352 2.743 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247697698 158148953 /nfs/dbraw/zinc/14/89/53/158148953.db2.gz WZOPBUCKRZHSEG-HIFRSBDPSA-N 1 1 318.377 2.685 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000248371923 158169036 /nfs/dbraw/zinc/16/90/36/158169036.db2.gz ZHADCANHUDXMSR-QWRGUYRKSA-N 1 1 302.334 2.875 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000356909750 158322042 /nfs/dbraw/zinc/32/20/42/158322042.db2.gz VYRVGICTQURKAJ-ZDUSSCGKSA-N 1 1 321.421 2.717 20 5 DFBDMO C[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000432315608 296871097 /nfs/dbraw/zinc/87/10/97/296871097.db2.gz RRBSHECAESPNQA-LLVKDONJSA-N 1 1 313.785 2.628 20 5 DFBDMO CCn1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000433186748 296899707 /nfs/dbraw/zinc/89/97/07/296899707.db2.gz LCKNCEFIYJMDEM-UHFFFAOYSA-N 1 1 321.764 2.720 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000054779408 425891373 /nfs/dbraw/zinc/89/13/73/425891373.db2.gz CUOACFFTVDJHKV-NEPJUHHUSA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1nc([C@](C)([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000433329102 296907387 /nfs/dbraw/zinc/90/73/87/296907387.db2.gz XQLPKLWQJAOMNW-MRXNPFEDSA-N 1 1 316.361 2.744 20 5 DFBDMO CC(C)NC(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290901161 222005602 /nfs/dbraw/zinc/00/56/02/222005602.db2.gz NXLHCXVAGZFEMS-UHFFFAOYSA-N 1 1 320.176 2.516 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291160998 222183026 /nfs/dbraw/zinc/18/30/26/222183026.db2.gz CLGXSPRFBAAFNB-GOSISDBHSA-N 1 1 312.369 2.731 20 5 DFBDMO CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291185066 222204179 /nfs/dbraw/zinc/20/41/79/222204179.db2.gz OPZVYTVXHHEHAS-INIZCTEOSA-N 1 1 323.368 2.770 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cs1 ZINC000291270617 222275013 /nfs/dbraw/zinc/27/50/13/222275013.db2.gz NTJYKPZFSNMKEL-MRXNPFEDSA-N 1 1 318.398 2.792 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cs1 ZINC000291270617 222275015 /nfs/dbraw/zinc/27/50/15/222275015.db2.gz NTJYKPZFSNMKEL-MRXNPFEDSA-N 1 1 318.398 2.792 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000291549349 222460118 /nfs/dbraw/zinc/46/01/18/222460118.db2.gz MQJMBZLSQBIOLY-LLVKDONJSA-N 1 1 311.357 2.584 20 5 DFBDMO Cc1cccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000055406525 425893617 /nfs/dbraw/zinc/89/36/17/425893617.db2.gz QGNGAPLMHJYTQB-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063308418 425900403 /nfs/dbraw/zinc/90/04/03/425900403.db2.gz OYUNLNHTJGFJAF-CYBMUJFWSA-N 1 1 305.378 2.680 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000063308972 425900683 /nfs/dbraw/zinc/90/06/83/425900683.db2.gz MCMHUYVXQPKBML-GFCCVEGCSA-N 1 1 305.378 2.964 20 5 DFBDMO C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068830262 425922149 /nfs/dbraw/zinc/92/21/49/425922149.db2.gz ZCEKPKABZUTWDY-ZDUSSCGKSA-N 1 1 317.389 2.606 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000192235669 268026676 /nfs/dbraw/zinc/02/66/76/268026676.db2.gz XFFNEDHULMMYGN-UHFFFAOYSA-N 1 1 317.393 2.974 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1ncc([N+](=O)[O-])s1 ZINC000192551957 268040013 /nfs/dbraw/zinc/04/00/13/268040013.db2.gz SFDKUFBSWSDQTD-UHFFFAOYSA-N 1 1 309.395 2.727 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000192908618 268052903 /nfs/dbraw/zinc/05/29/03/268052903.db2.gz RIKJDCVHNBASQQ-CYBMUJFWSA-N 1 1 317.345 2.529 20 5 DFBDMO CC(C)[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000193214935 268062727 /nfs/dbraw/zinc/06/27/27/268062727.db2.gz SRMKUSPOHVAZBS-INIZCTEOSA-N 1 1 322.405 2.845 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248368747 268165963 /nfs/dbraw/zinc/16/59/63/268165963.db2.gz VNRAAMMKLXKHFW-INIZCTEOSA-N 1 1 319.405 2.664 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C ZINC000263794596 268171502 /nfs/dbraw/zinc/17/15/02/268171502.db2.gz ONKDYOHBIWILJQ-LLVKDONJSA-N 1 1 323.393 2.908 20 5 DFBDMO Cc1nccn1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270913586 268234620 /nfs/dbraw/zinc/23/46/20/268234620.db2.gz TVTHTBVWVQFHRV-UHFFFAOYSA-N 1 1 300.362 2.764 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273359949 268254535 /nfs/dbraw/zinc/25/45/35/268254535.db2.gz DYXYWSVGKBTKRG-QMTHXVAHSA-N 1 1 324.356 2.584 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277862075 268265314 /nfs/dbraw/zinc/26/53/14/268265314.db2.gz JYVGQACDHUZIRZ-HNNXBMFYSA-N 1 1 317.389 2.650 20 5 DFBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000051058560 425882279 /nfs/dbraw/zinc/88/22/79/425882279.db2.gz OGQYUPBBLFHGFG-OAHLLOKOSA-N 1 1 319.405 2.723 20 5 DFBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125754599 425989165 /nfs/dbraw/zinc/98/91/65/425989165.db2.gz AOLKJEKWPNEUTE-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125754374 425989262 /nfs/dbraw/zinc/98/92/62/425989262.db2.gz AOLKJEKWPNEUTE-GFCCVEGCSA-N 1 1 321.377 2.664 20 5 DFBDMO C[N@H+]1CCC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158544873 425944046 /nfs/dbraw/zinc/94/40/46/425944046.db2.gz LJQCJGAHHNUTMV-WFASDCNBSA-N 1 1 307.369 2.650 20 5 DFBDMO CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125079345 425952229 /nfs/dbraw/zinc/95/22/29/425952229.db2.gz HFMHESWSXHPEGB-JTQLQIEISA-N 1 1 311.769 2.919 20 5 DFBDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125079345 425952231 /nfs/dbraw/zinc/95/22/31/425952231.db2.gz HFMHESWSXHPEGB-JTQLQIEISA-N 1 1 311.769 2.919 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](CC)C2)c([N+](=O)[O-])c1 ZINC000125497398 425975445 /nfs/dbraw/zinc/97/54/45/425975445.db2.gz AVHHFOKFYPXKCZ-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](CC)C2)c([N+](=O)[O-])c1 ZINC000125497398 425975446 /nfs/dbraw/zinc/97/54/46/425975446.db2.gz AVHHFOKFYPXKCZ-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc([N+](=O)[O-])c1 ZINC000161879173 426043362 /nfs/dbraw/zinc/04/33/62/426043362.db2.gz WVSMCWAMRMPQQG-CQSZACIVSA-N 1 1 319.405 2.611 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC2CCC2)cccc1[N+](=O)[O-] ZINC000111297896 426044920 /nfs/dbraw/zinc/04/49/20/426044920.db2.gz OJQWVULRRIMTNF-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162670915 426072185 /nfs/dbraw/zinc/07/21/85/426072185.db2.gz ZQVPIQHOUKZWQS-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO CC(C)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000108364297 426013722 /nfs/dbraw/zinc/01/37/22/426013722.db2.gz PZHAQOWYKUBVJK-MRXNPFEDSA-N 1 1 322.405 2.988 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163120140 426090651 /nfs/dbraw/zinc/09/06/51/426090651.db2.gz SXULAUKJIIZIOL-CHWSQXEVSA-N 1 1 320.393 2.850 20 5 DFBDMO CC1(C)CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128497784 426120357 /nfs/dbraw/zinc/12/03/57/426120357.db2.gz KBHJWAWUTKZMDJ-UHFFFAOYSA-N 1 1 309.341 2.937 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(c3ccccc3F)CC2)c1 ZINC000127580426 426074283 /nfs/dbraw/zinc/07/42/83/426074283.db2.gz TZCLGIHZBHFBLV-UHFFFAOYSA-N 1 1 316.336 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Cc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000118787492 426244099 /nfs/dbraw/zinc/24/40/99/426244099.db2.gz CVUCBVCVZDPDHT-ZDUSSCGKSA-N 1 1 320.393 2.709 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117333569 426211375 /nfs/dbraw/zinc/21/13/75/426211375.db2.gz OVHLEPTYJJBHMF-GFCCVEGCSA-N 1 1 319.361 2.767 20 5 DFBDMO CC(C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000080643230 426215639 /nfs/dbraw/zinc/21/56/39/426215639.db2.gz RLILVYVRQFDUCF-HOCLYGCPSA-N 1 1 322.405 2.703 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000175719171 426322822 /nfs/dbraw/zinc/32/28/22/426322822.db2.gz QAIQYJZBJBIRTM-RHSMWYFYSA-N 1 1 321.421 2.636 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000175719171 426322824 /nfs/dbraw/zinc/32/28/24/426322824.db2.gz QAIQYJZBJBIRTM-RHSMWYFYSA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000175719171 426322825 /nfs/dbraw/zinc/32/28/25/426322825.db2.gz QAIQYJZBJBIRTM-RHSMWYFYSA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000175719171 426322828 /nfs/dbraw/zinc/32/28/28/426322828.db2.gz QAIQYJZBJBIRTM-RHSMWYFYSA-N 1 1 321.421 2.636 20 5 DFBDMO C[N@@H+](CCC1CCCCC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524685 426327441 /nfs/dbraw/zinc/32/74/41/426327441.db2.gz MDUNQKKVMARUQR-UHFFFAOYSA-N 1 1 307.394 2.659 20 5 DFBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)C ZINC000090552453 426328383 /nfs/dbraw/zinc/32/83/83/426328383.db2.gz KXWIFOYQOXDXKZ-UHFFFAOYSA-N 1 1 309.410 2.761 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000175089110 426279006 /nfs/dbraw/zinc/27/90/06/426279006.db2.gz ASQMYAVBUPXIJP-ZDUSSCGKSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000153661640 426398267 /nfs/dbraw/zinc/39/82/67/426398267.db2.gz OQSZNXVHEYHBMQ-SNVBAGLBSA-N 1 1 307.741 2.575 20 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DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc3cnccn23)C2CC2)c1 ZINC000154279296 426433256 /nfs/dbraw/zinc/43/32/56/426433256.db2.gz IEULTTBVVZCNSY-UHFFFAOYSA-N 1 1 323.356 2.802 20 5 DFBDMO C[N@@H+](CCc1cccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154377988 426437642 /nfs/dbraw/zinc/43/76/42/426437642.db2.gz GQWNHFCGPHZTIT-HNNXBMFYSA-N 1 1 306.387 2.864 20 5 DFBDMO CC/C=C\CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000341322626 269069365 /nfs/dbraw/zinc/06/93/65/269069365.db2.gz SJPYSNZTHZBCNW-ARJAWSKDSA-N 1 1 317.389 2.709 20 5 DFBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000101730303 426486103 /nfs/dbraw/zinc/48/61/03/426486103.db2.gz OTQABAVRPONWBW-UHFFFAOYSA-N 1 1 318.377 2.619 20 5 DFBDMO CC[N@@H+](CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000102069506 426487839 /nfs/dbraw/zinc/48/78/39/426487839.db2.gz GKKTUZZGNRIOKC-UHFFFAOYSA-N 1 1 306.366 2.509 20 5 DFBDMO CO[C@]1(C)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280288043 426541535 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DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280552298 426598893 /nfs/dbraw/zinc/59/88/93/426598893.db2.gz UJZOESJRSVALAY-XJKCOSOUSA-N 1 1 306.362 2.536 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000178032140 426558632 /nfs/dbraw/zinc/55/86/32/426558632.db2.gz HVJWOVFTYBHWBU-CQSZACIVSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000178032140 426558637 /nfs/dbraw/zinc/55/86/37/426558637.db2.gz HVJWOVFTYBHWBU-CQSZACIVSA-N 1 1 312.753 2.633 20 5 DFBDMO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000289385706 426642239 /nfs/dbraw/zinc/64/22/39/426642239.db2.gz CAXCTKYODLAREZ-JKSUJKDBSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000289385706 426642244 /nfs/dbraw/zinc/64/22/44/426642244.db2.gz CAXCTKYODLAREZ-JKSUJKDBSA-N 1 1 320.389 2.993 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000265549592 426653731 /nfs/dbraw/zinc/65/37/31/426653731.db2.gz QHPGZHZNLCYXEW-VIFPVBQESA-N 1 1 307.741 2.750 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000273383183 426654530 /nfs/dbraw/zinc/65/45/30/426654530.db2.gz CHOVKTCBGVQMKF-AWEZNQCLSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000273383183 426654537 /nfs/dbraw/zinc/65/45/37/426654537.db2.gz CHOVKTCBGVQMKF-AWEZNQCLSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000273383183 426654541 /nfs/dbraw/zinc/65/45/41/426654541.db2.gz CHOVKTCBGVQMKF-AWEZNQCLSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000273383183 426654546 /nfs/dbraw/zinc/65/45/46/426654546.db2.gz CHOVKTCBGVQMKF-AWEZNQCLSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000273383183 426654550 /nfs/dbraw/zinc/65/45/50/426654550.db2.gz CHOVKTCBGVQMKF-AWEZNQCLSA-N 1 1 315.377 2.709 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273505966 426676815 /nfs/dbraw/zinc/67/68/15/426676815.db2.gz WDTFPUVQKHGWBL-LLVKDONJSA-N 1 1 324.356 2.587 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC=C(C)C2)cccc1[N+](=O)[O-] ZINC000280904802 426682785 /nfs/dbraw/zinc/68/27/85/426682785.db2.gz RMLSWFMGEKBVEV-ZDUSSCGKSA-N 1 1 303.362 2.882 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC=C(C)C2)cccc1[N+](=O)[O-] ZINC000280904802 426682788 /nfs/dbraw/zinc/68/27/88/426682788.db2.gz RMLSWFMGEKBVEV-ZDUSSCGKSA-N 1 1 303.362 2.882 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000289328806 426629816 /nfs/dbraw/zinc/62/98/16/426629816.db2.gz GMYLSVNWRHEYEM-UHFFFAOYSA-N 1 1 312.373 2.926 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000227759090 426630456 /nfs/dbraw/zinc/63/04/56/426630456.db2.gz XBCRRAQRVHSUCE-SNVBAGLBSA-N 1 1 314.183 2.863 20 5 DFBDMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290121980 426696710 /nfs/dbraw/zinc/69/67/10/426696710.db2.gz IVUZZLGNMFOODO-AWEZNQCLSA-N 1 1 321.377 2.614 20 5 DFBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290121980 426696713 /nfs/dbraw/zinc/69/67/13/426696713.db2.gz IVUZZLGNMFOODO-AWEZNQCLSA-N 1 1 321.377 2.614 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000187827891 426697183 /nfs/dbraw/zinc/69/71/83/426697183.db2.gz KIEIELGTTPXWLL-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000187827891 426697186 /nfs/dbraw/zinc/69/71/86/426697186.db2.gz KIEIELGTTPXWLL-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266741815 426771382 /nfs/dbraw/zinc/77/13/82/426771382.db2.gz NWAPWZUGZHXARP-CQSZACIVSA-N 1 1 319.405 2.846 20 5 DFBDMO CC(C)C(=O)N1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266741815 426771385 /nfs/dbraw/zinc/77/13/85/426771385.db2.gz NWAPWZUGZHXARP-CQSZACIVSA-N 1 1 319.405 2.846 20 5 DFBDMO COc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290518353 426783189 /nfs/dbraw/zinc/78/31/89/426783189.db2.gz CBKUDNNKNXAIFF-MNOVXSKESA-N 1 1 321.377 2.649 20 5 DFBDMO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000290535776 426786681 /nfs/dbraw/zinc/78/66/81/426786681.db2.gz LEVRNYIMWVFROS-MXWKQRLJSA-N 1 1 320.349 2.719 20 5 DFBDMO Nc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC3)n2)cc1[N+](=O)[O-] ZINC000290291966 426733391 /nfs/dbraw/zinc/73/33/91/426733391.db2.gz ZFAJCBOBMXEECT-LBPRGKRZSA-N 1 1 315.333 2.526 20 5 DFBDMO Nc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CC3)n2)cc1[N+](=O)[O-] ZINC000290291966 426733394 /nfs/dbraw/zinc/73/33/94/426733394.db2.gz ZFAJCBOBMXEECT-LBPRGKRZSA-N 1 1 315.333 2.526 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245438980 426738898 /nfs/dbraw/zinc/73/88/98/426738898.db2.gz SLOOEYZOKYDMDF-SWLSCSKDSA-N 1 1 309.385 2.896 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245537823 426747794 /nfs/dbraw/zinc/74/77/94/426747794.db2.gz YSJLLRPIZIOLBW-UKRRQHHQSA-N 1 1 315.377 2.893 20 5 DFBDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266942644 426800463 /nfs/dbraw/zinc/80/04/63/426800463.db2.gz QIDQBPCSLFGKMN-GOEBONIOSA-N 1 1 314.389 2.744 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000290857070 426857038 /nfs/dbraw/zinc/85/70/38/426857038.db2.gz YCGMELRPOYDXET-PWSUYJOCSA-N 1 1 303.362 2.835 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188929978 426803695 /nfs/dbraw/zinc/80/36/95/426803695.db2.gz WHVCGIULGQINQM-AWEZNQCLSA-N 1 1 319.405 2.932 20 5 DFBDMO CC(=O)c1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290764910 426833788 /nfs/dbraw/zinc/83/37/88/426833788.db2.gz KNTQNMAUARZJNP-ZWNOBZJWSA-N 1 1 303.362 2.835 20 5 DFBDMO C[C@@H]1C[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C[N@H+]1C1CC1 ZINC000290785754 426839744 /nfs/dbraw/zinc/83/97/44/426839744.db2.gz NQXIZUQOSALYNL-MNOVXSKESA-N 1 1 302.378 2.600 20 5 DFBDMO COc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000290800020 426840619 /nfs/dbraw/zinc/84/06/19/426840619.db2.gz POPBYVFNBLHRLU-ZJUUUORDSA-N 1 1 309.341 2.780 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])c2ccccc12)C1CC1 ZINC000290818607 426847962 /nfs/dbraw/zinc/84/79/62/426847962.db2.gz SEPKHVWXAAFJEB-CYBMUJFWSA-N 1 1 316.357 2.582 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000290860481 426856137 /nfs/dbraw/zinc/85/61/37/426856137.db2.gz INNUKBOUCVUJEM-LLVKDONJSA-N 1 1 311.357 2.584 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246063380 426795728 /nfs/dbraw/zinc/79/57/28/426795728.db2.gz ZKXWNXYGWZABRH-ZENOOKHLSA-N 1 1 317.389 2.678 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247201009 426914350 /nfs/dbraw/zinc/91/43/50/426914350.db2.gz OZZZLPBTEWYWMJ-SWLSCSKDSA-N 1 1 301.350 2.584 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267280929 426862640 /nfs/dbraw/zinc/86/26/40/426862640.db2.gz OUQMYMZNIAHNMC-HUUCEWRRSA-N 1 1 317.389 2.860 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246847320 426873307 /nfs/dbraw/zinc/87/33/07/426873307.db2.gz QZNZAIXECNWOFZ-STQMWFEESA-N 1 1 320.393 2.850 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000247004565 426890659 /nfs/dbraw/zinc/89/06/59/426890659.db2.gz QMDXIWXNPUTILG-GJZGRUSLSA-N 1 1 317.389 2.602 20 5 DFBDMO O=C(CC[N@H+]1CCCC2(CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189588580 426899652 /nfs/dbraw/zinc/89/96/52/426899652.db2.gz PNHQGEIWNIFYFZ-UHFFFAOYSA-N 1 1 321.352 2.939 20 5 DFBDMO CC(C)C[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000248245468 426987893 /nfs/dbraw/zinc/98/78/93/426987893.db2.gz GQTBDTBKGLLTGN-AWEZNQCLSA-N 1 1 307.394 2.754 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248343197 426990248 /nfs/dbraw/zinc/99/02/48/426990248.db2.gz KAHTVVZBYJFVQW-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295407020 426944644 /nfs/dbraw/zinc/94/46/44/426944644.db2.gz BTVMATZLXRQFFL-CHWSQXEVSA-N 1 1 321.377 2.818 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295407020 426944650 /nfs/dbraw/zinc/94/46/50/426944650.db2.gz BTVMATZLXRQFFL-CHWSQXEVSA-N 1 1 321.377 2.818 20 5 DFBDMO CCOc1cc(C[N@@H+](C(C)C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000291940689 427033896 /nfs/dbraw/zinc/03/38/96/427033896.db2.gz UCTBIPXLBNBXFK-AWEZNQCLSA-N 1 1 308.378 2.993 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000276436017 427068527 /nfs/dbraw/zinc/06/85/27/427068527.db2.gz QPGGMAFKUPJAGP-FRRDWIJNSA-N 1 1 306.362 2.787 20 5 DFBDMO C[C@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000277266944 427142894 /nfs/dbraw/zinc/14/28/94/427142894.db2.gz AENTWINABWEFNQ-LBPRGKRZSA-N 1 1 311.357 2.647 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCCn2ccnc2)C2CC2)c1 ZINC000182867463 427159355 /nfs/dbraw/zinc/15/93/55/427159355.db2.gz PDWNVHLSPYQCRG-UHFFFAOYSA-N 1 1 300.362 2.846 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@H](C)C1 ZINC000171694187 271106153 /nfs/dbraw/zinc/10/61/53/271106153.db2.gz HFCBQFGZHZIWHI-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000175034492 271144630 /nfs/dbraw/zinc/14/46/30/271144630.db2.gz VHNSCIZZVOVJPT-HUUCEWRRSA-N 1 1 319.405 2.532 20 5 DFBDMO COC[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000270533286 271304611 /nfs/dbraw/zinc/30/46/11/271304611.db2.gz FWSQQGZTOUNZPQ-LBPRGKRZSA-N 1 1 317.345 2.718 20 5 DFBDMO CC(C)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000190792623 427182026 /nfs/dbraw/zinc/18/20/26/427182026.db2.gz FRBOCZYAKUUWTM-UHFFFAOYSA-N 1 1 319.405 2.884 20 5 DFBDMO C[N@H+]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000269380900 427183930 /nfs/dbraw/zinc/18/39/30/427183930.db2.gz XKJCYXWTAGQWKT-UHFFFAOYSA-N 1 1 315.373 2.992 20 5 DFBDMO CN1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000269380900 427183937 /nfs/dbraw/zinc/18/39/37/427183937.db2.gz XKJCYXWTAGQWKT-UHFFFAOYSA-N 1 1 315.373 2.992 20 5 DFBDMO CN1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000269380900 427183941 /nfs/dbraw/zinc/18/39/41/427183941.db2.gz XKJCYXWTAGQWKT-UHFFFAOYSA-N 1 1 315.373 2.992 20 5 DFBDMO C[N@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292710023 427197203 /nfs/dbraw/zinc/19/72/03/427197203.db2.gz GSXYOHPYJZCGDQ-CQSZACIVSA-N 1 1 310.785 2.565 20 5 DFBDMO COCCCOCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183092115 427198171 /nfs/dbraw/zinc/19/81/71/427198171.db2.gz WQCPAHZUUSGWAR-AWEZNQCLSA-N 1 1 310.394 2.949 20 5 DFBDMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000284923804 427199374 /nfs/dbraw/zinc/19/93/74/427199374.db2.gz UVLCQJMKEIIGRO-USXIJHARSA-N 1 1 320.389 2.611 20 5 DFBDMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000284923804 427199377 /nfs/dbraw/zinc/19/93/77/427199377.db2.gz UVLCQJMKEIIGRO-USXIJHARSA-N 1 1 320.389 2.611 20 5 DFBDMO C[S@](=O)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183122518 427204382 /nfs/dbraw/zinc/20/43/82/427204382.db2.gz YMPJJWYIZKRQJR-NYHFZMIOSA-N 1 1 318.398 2.804 20 5 DFBDMO CCOC1CC2(C1)CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000285400930 427221999 /nfs/dbraw/zinc/22/19/99/427221999.db2.gz DYPOWWBXXLKSBA-CGZBRXJRSA-N 1 1 320.389 2.519 20 5 DFBDMO CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285435950 427229203 /nfs/dbraw/zinc/22/92/03/427229203.db2.gz HZKQQTAOEODNQK-PBWFPOADSA-N 1 1 307.369 2.791 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)Cc1ccccc1 ZINC000293168655 427235250 /nfs/dbraw/zinc/23/52/50/427235250.db2.gz CUEOADBEMCOIAQ-OAHLLOKOSA-N 1 1 318.348 2.769 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000183284705 427239171 /nfs/dbraw/zinc/23/91/71/427239171.db2.gz JBAZZNUDJBHZGY-CQSZACIVSA-N 1 1 316.361 2.974 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000183292816 427242703 /nfs/dbraw/zinc/24/27/03/427242703.db2.gz HNDCSZRFDBRHRC-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000183292816 427242710 /nfs/dbraw/zinc/24/27/10/427242710.db2.gz HNDCSZRFDBRHRC-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO Cc1ccc(C[NH2+][C@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000285488659 427245397 /nfs/dbraw/zinc/24/53/97/427245397.db2.gz LWMDCCCBMMCPJX-AWEZNQCLSA-N 1 1 303.366 2.519 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269686252 427249596 /nfs/dbraw/zinc/24/95/96/427249596.db2.gz ZXOKVEYLEJFDTL-LSDHHAIUSA-N 1 1 310.419 2.702 20 5 DFBDMO C[C@@H]1C[C@H](N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000255312558 427254738 /nfs/dbraw/zinc/25/47/38/427254738.db2.gz QWOVLWLLEPVBGF-XHTKRDSESA-N 1 1 317.389 2.549 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@](C)(COC)C2)ccc1[N+](=O)[O-] ZINC000296875347 427260410 /nfs/dbraw/zinc/26/04/10/427260410.db2.gz UVBKXXVMXUDKIO-MRXNPFEDSA-N 1 1 308.378 2.852 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330613823 427275305 /nfs/dbraw/zinc/27/53/05/427275305.db2.gz RPHWUPZIJDADGO-DZGCQCFKSA-N 1 1 321.421 2.908 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277768429 427314299 /nfs/dbraw/zinc/31/42/99/427314299.db2.gz MVQBWTLXGVHKCH-DGCLKSJQSA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277768429 427314305 /nfs/dbraw/zinc/31/43/05/427314305.db2.gz MVQBWTLXGVHKCH-DGCLKSJQSA-N 1 1 318.295 2.730 20 5 DFBDMO Nc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000285737774 427321716 /nfs/dbraw/zinc/32/17/16/427321716.db2.gz TWDLPMVVDPFVDR-HNNXBMFYSA-N 1 1 312.373 2.863 20 5 DFBDMO COCC[N@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000191240070 427294107 /nfs/dbraw/zinc/29/41/07/427294107.db2.gz XIKILMDUAZPIIY-UHFFFAOYSA-N 1 1 301.346 2.638 20 5 DFBDMO COCC[N@@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000191240070 427294114 /nfs/dbraw/zinc/29/41/14/427294114.db2.gz XIKILMDUAZPIIY-UHFFFAOYSA-N 1 1 301.346 2.638 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000271004656 427371193 /nfs/dbraw/zinc/37/11/93/427371193.db2.gz KWGFWYKVXVBNER-DLBZAZTESA-N 1 1 313.357 2.860 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc([N+](=O)[O-])c1 ZINC000277994933 427380104 /nfs/dbraw/zinc/38/01/04/427380104.db2.gz RNGANVIZFLWNAR-OAHLLOKOSA-N 1 1 317.389 2.650 20 5 DFBDMO Cn1nccc1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338562487 427381490 /nfs/dbraw/zinc/38/14/90/427381490.db2.gz DCEDDEMVGOENLA-UHFFFAOYSA-N 1 1 300.362 2.535 20 5 DFBDMO CC[C@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000293641641 427389613 /nfs/dbraw/zinc/38/96/13/427389613.db2.gz IBLBXSKGKHKKQD-TZMCWYRMSA-N 1 1 306.410 2.702 20 5 DFBDMO CCc1n[nH]c(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000191686211 427406464 /nfs/dbraw/zinc/40/64/64/427406464.db2.gz MVPVQKRXALRWOH-UHFFFAOYSA-N 1 1 315.377 2.655 20 5 DFBDMO CCc1nc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000191686211 427406470 /nfs/dbraw/zinc/40/64/70/427406470.db2.gz MVPVQKRXALRWOH-UHFFFAOYSA-N 1 1 315.377 2.655 20 5 DFBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])cn1 ZINC000286252091 427470278 /nfs/dbraw/zinc/47/02/78/427470278.db2.gz DOGSCIQVBJYQLJ-UHFFFAOYSA-N 1 1 304.350 2.541 20 5 DFBDMO CC(=O)c1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000286277475 427475378 /nfs/dbraw/zinc/47/53/78/427475378.db2.gz GPLKWEFCYNSZEO-NNQSOWQGSA-N 1 1 317.389 2.859 20 5 DFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000331686315 427477630 /nfs/dbraw/zinc/47/76/30/427477630.db2.gz VMZADUXTMCGNKS-NWDGAFQWSA-N 1 1 319.361 2.623 20 5 DFBDMO COc1cc(C[N@H+](C)CCOCC2CC2)c([N+](=O)[O-])cc1F ZINC000184234325 427422277 /nfs/dbraw/zinc/42/22/77/427422277.db2.gz NMYILZMREABFLN-UHFFFAOYSA-N 1 1 312.341 2.601 20 5 DFBDMO COc1cc(C[N@@H+](C)CCOCC2CC2)c([N+](=O)[O-])cc1F ZINC000184234325 427422282 /nfs/dbraw/zinc/42/22/82/427422282.db2.gz NMYILZMREABFLN-UHFFFAOYSA-N 1 1 312.341 2.601 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000338679225 427436651 /nfs/dbraw/zinc/43/66/51/427436651.db2.gz APCVHKRWNHQMAL-LLVKDONJSA-N 1 1 302.334 2.789 20 5 DFBDMO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293782403 427437017 /nfs/dbraw/zinc/43/70/17/427437017.db2.gz SYZSSKGXBDJLTK-SECBINFHSA-N 1 1 304.350 2.887 20 5 DFBDMO CCCNC(=O)C[N@H+](CCC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297726128 427438920 /nfs/dbraw/zinc/43/89/20/427438920.db2.gz BSXAHRPRVHHMOV-CYBMUJFWSA-N 1 1 307.394 2.894 20 5 DFBDMO CCCNC(=O)C[N@@H+](CCC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297726128 427438926 /nfs/dbraw/zinc/43/89/26/427438926.db2.gz BSXAHRPRVHHMOV-CYBMUJFWSA-N 1 1 307.394 2.894 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271191675 427440987 /nfs/dbraw/zinc/44/09/87/427440987.db2.gz PWCZKNOEQJKMCR-DGCLKSJQSA-N 1 1 318.295 2.791 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271191675 427440994 /nfs/dbraw/zinc/44/09/94/427440994.db2.gz PWCZKNOEQJKMCR-DGCLKSJQSA-N 1 1 318.295 2.791 20 5 DFBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000293810582 427444619 /nfs/dbraw/zinc/44/46/19/427444619.db2.gz FCNCYHAGRRZJJX-QGZVFWFLSA-N 1 1 314.385 2.939 20 5 DFBDMO Nc1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000286323723 427493984 /nfs/dbraw/zinc/49/39/84/427493984.db2.gz UXGRWRBPLWWYAF-SWLSCSKDSA-N 1 1 316.405 2.630 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@@H](C)CC1 ZINC000192168294 427495944 /nfs/dbraw/zinc/49/59/44/427495944.db2.gz JODPVCMOEDGYFA-RYUDHWBXSA-N 1 1 323.418 2.749 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCS[C@@H](C)CC1 ZINC000192168294 427495958 /nfs/dbraw/zinc/49/59/58/427495958.db2.gz JODPVCMOEDGYFA-RYUDHWBXSA-N 1 1 323.418 2.749 20 5 DFBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000286336985 427497254 /nfs/dbraw/zinc/49/72/54/427497254.db2.gz GHAUCUFYNAAPCZ-OAHLLOKOSA-N 1 1 319.405 2.784 20 5 DFBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@H+]3CCCC[C@@H]23)s1 ZINC000286343393 427498566 /nfs/dbraw/zinc/49/85/66/427498566.db2.gz KKHWUOSRPDYINF-MNOVXSKESA-N 1 1 319.390 2.638 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287177808 427554565 /nfs/dbraw/zinc/55/45/65/427554565.db2.gz CHUTXIOMTWPBJM-UONOGXRCSA-N 1 1 317.389 2.600 20 5 DFBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1F ZINC000278954958 427512456 /nfs/dbraw/zinc/51/24/56/427512456.db2.gz VZUIUGPXOXDADM-RYUDHWBXSA-N 1 1 323.368 2.597 20 5 DFBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294022324 427524356 /nfs/dbraw/zinc/52/43/56/427524356.db2.gz QOZUBWDSHVVUHO-IRBPBCMDSA-N 1 1 317.389 2.549 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286425283 427526439 /nfs/dbraw/zinc/52/64/39/427526439.db2.gz BKGJWOYWFLYISW-JTQLQIEISA-N 1 1 321.406 2.886 20 5 DFBDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286440349 427527816 /nfs/dbraw/zinc/52/78/16/427527816.db2.gz NNDJNFZXLWFGAI-HUUCEWRRSA-N 1 1 314.332 2.998 20 5 DFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286440349 427527820 /nfs/dbraw/zinc/52/78/20/427527820.db2.gz NNDJNFZXLWFGAI-HUUCEWRRSA-N 1 1 314.332 2.998 20 5 DFBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000263787882 427571058 /nfs/dbraw/zinc/57/10/58/427571058.db2.gz WRYGWIURLXGYMG-AWEZNQCLSA-N 1 1 319.405 2.723 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000263871451 427598101 /nfs/dbraw/zinc/59/81/01/427598101.db2.gz GEWLBTAVWLGZTE-NSHDSACASA-N 1 1 319.361 2.801 20 5 DFBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000339012488 427625713 /nfs/dbraw/zinc/62/57/13/427625713.db2.gz WFLLWBNJDHWMTF-MRXNPFEDSA-N 1 1 306.362 2.693 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000272082022 427625791 /nfs/dbraw/zinc/62/57/91/427625791.db2.gz HJSHPLGJPNDLTG-WFASDCNBSA-N 1 1 305.378 2.646 20 5 DFBDMO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000192944670 427637447 /nfs/dbraw/zinc/63/74/47/427637447.db2.gz ABSSAKAOIGXMSY-GFCCVEGCSA-N 1 1 311.345 2.797 20 5 DFBDMO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373275 427640978 /nfs/dbraw/zinc/64/09/78/427640978.db2.gz BCJJYNLCAPOMAJ-ZJUUUORDSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373275 427640988 /nfs/dbraw/zinc/64/09/88/427640988.db2.gz BCJJYNLCAPOMAJ-ZJUUUORDSA-N 1 1 318.295 2.816 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@](C)(OC)C2)ccc1[N+](=O)[O-] ZINC000279332391 427643803 /nfs/dbraw/zinc/64/38/03/427643803.db2.gz OZGOGMBJQIWXFI-MRXNPFEDSA-N 1 1 308.378 2.994 20 5 DFBDMO Cn1cc([C@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000264110341 427661862 /nfs/dbraw/zinc/66/18/62/427661862.db2.gz SSHSUNJXXYLSHK-CQSZACIVSA-N 1 1 316.361 2.544 20 5 DFBDMO COc1cc(Cn2c[nH+]c3c2CCCC3)c([N+](=O)[O-])cc1F ZINC000294927005 427666263 /nfs/dbraw/zinc/66/62/63/427666263.db2.gz CSXBGQZSKMZDKX-UHFFFAOYSA-N 1 1 305.309 2.866 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000343321519 272118354 /nfs/dbraw/zinc/11/83/54/272118354.db2.gz LEGCDJVQDBTACS-KBPBESRZSA-N 1 1 319.405 2.896 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000343321523 272118892 /nfs/dbraw/zinc/11/88/92/272118892.db2.gz LEGCDJVQDBTACS-ZIAGYGMSSA-N 1 1 319.405 2.896 20 5 DFBDMO CCC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000343393136 272135447 /nfs/dbraw/zinc/13/54/47/272135447.db2.gz XBGMBUROWCRKIU-UHFFFAOYSA-N 1 1 319.361 2.767 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343446127 272148919 /nfs/dbraw/zinc/14/89/19/272148919.db2.gz LWGCXYWMUHLIQP-KGLIPLIRSA-N 1 1 319.405 2.733 20 5 DFBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000343463530 272153689 /nfs/dbraw/zinc/15/36/89/272153689.db2.gz UDJJEHJJUYZWFH-GXFFZTMASA-N 1 1 323.418 2.529 20 5 DFBDMO C[C@@H]1[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC[N@H+]1C ZINC000343488395 272158261 /nfs/dbraw/zinc/15/82/61/272158261.db2.gz FQOCOHFKQPRLPN-MFKMUULPSA-N 1 1 317.345 2.554 20 5 DFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000343887410 272232286 /nfs/dbraw/zinc/23/22/86/272232286.db2.gz NGVWCYRQIGFESL-UHFFFAOYSA-N 1 1 324.377 2.637 20 5 DFBDMO CC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000343914220 272236172 /nfs/dbraw/zinc/23/61/72/272236172.db2.gz VBTABUXIFUISII-GDBMZVCRSA-N 1 1 322.405 2.847 20 5 DFBDMO CC[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000343914223 272236342 /nfs/dbraw/zinc/23/63/42/272236342.db2.gz VBTABUXIFUISII-ZBFHGGJFSA-N 1 1 322.405 2.847 20 5 DFBDMO Cc1c(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000343918041 272237471 /nfs/dbraw/zinc/23/74/71/272237471.db2.gz HCUFUMBKMAAYJE-XJKSGUPXSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344025458 272250423 /nfs/dbraw/zinc/25/04/23/272250423.db2.gz YYAJGJXITWRUGS-CYBMUJFWSA-N 1 1 303.362 2.574 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C2CC2)C1 ZINC000344027738 272251235 /nfs/dbraw/zinc/25/12/35/272251235.db2.gz JETBCGKMYAOYJA-YPMHNXCESA-N 1 1 303.362 2.654 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000344065481 272255045 /nfs/dbraw/zinc/25/50/45/272255045.db2.gz OKMJZRBIYPPDAX-HUUCEWRRSA-N 1 1 320.389 2.623 20 5 DFBDMO CCC(CC)[N@@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344076561 272257549 /nfs/dbraw/zinc/25/75/49/272257549.db2.gz VXRHIHZVEASWKB-OAHLLOKOSA-N 1 1 310.394 2.845 20 5 DFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000185640213 427682487 /nfs/dbraw/zinc/68/24/87/427682487.db2.gz KEVWDZSKZRINAV-BXUZGUMPSA-N 1 1 321.377 2.662 20 5 DFBDMO CC[C@@]1(C)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000344225895 272291963 /nfs/dbraw/zinc/29/19/63/272291963.db2.gz YWMXEKPVPQBYPH-INIZCTEOSA-N 1 1 305.378 2.680 20 5 DFBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000344425845 272330365 /nfs/dbraw/zinc/33/03/65/272330365.db2.gz WQESDTZEPVQZLK-UKRRQHHQSA-N 1 1 322.409 2.539 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344682908 272356355 /nfs/dbraw/zinc/35/63/55/272356355.db2.gz OZQANBDDIXOKIZ-HNNXBMFYSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193863685 427721592 /nfs/dbraw/zinc/72/15/92/427721592.db2.gz HHTJHNFLDQSZDH-NSHDSACASA-N 1 1 304.325 2.837 20 5 DFBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185677283 427687617 /nfs/dbraw/zinc/68/76/17/427687617.db2.gz KAGOUMPWENKCNS-NHYWBVRUSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000295108023 427697484 /nfs/dbraw/zinc/69/74/84/427697484.db2.gz UYNPFFDBJFWVOT-YPMHNXCESA-N 1 1 319.409 2.758 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000337000988 427785733 /nfs/dbraw/zinc/78/57/33/427785733.db2.gz UANPFOGIJKLAJY-SNVBAGLBSA-N 1 1 319.390 2.578 20 5 DFBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301267085 427786166 /nfs/dbraw/zinc/78/61/66/427786166.db2.gz WMVDRZYEKXAQMX-CYBMUJFWSA-N 1 1 309.414 2.703 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193978958 427725621 /nfs/dbraw/zinc/72/56/21/427725621.db2.gz BIFZJEJWRXAFJC-IUODEOHRSA-N 1 1 321.333 2.504 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193978975 427725840 /nfs/dbraw/zinc/72/58/40/427725840.db2.gz BIFZJEJWRXAFJC-DOMZBBRYSA-N 1 1 321.333 2.504 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345876232 272548502 /nfs/dbraw/zinc/54/85/02/272548502.db2.gz DHIKFLXJJZGUMX-RYUDHWBXSA-N 1 1 306.366 2.541 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339685380 427811448 /nfs/dbraw/zinc/81/14/48/427811448.db2.gz ZPHDOHCIEKVTPS-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO Cc1ccc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000301867971 427832211 /nfs/dbraw/zinc/83/22/11/427832211.db2.gz OCOGVUULKSIQPQ-KBPBESRZSA-N 1 1 305.378 2.568 20 5 DFBDMO Cc1ccc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000301867971 427832213 /nfs/dbraw/zinc/83/22/13/427832213.db2.gz OCOGVUULKSIQPQ-KBPBESRZSA-N 1 1 305.378 2.568 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339815472 427833522 /nfs/dbraw/zinc/83/35/22/427833522.db2.gz AXBCVVRBQVDLEB-MRXNPFEDSA-N 1 1 308.378 2.850 20 5 DFBDMO CCC[N@@H+](C)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345657283 427848022 /nfs/dbraw/zinc/84/80/22/427848022.db2.gz MQBVDMJVJFFRJK-HNNXBMFYSA-N 1 1 323.418 2.511 20 5 DFBDMO CCC[N@@H+](C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345657287 427848346 /nfs/dbraw/zinc/84/83/46/427848346.db2.gz MQBVDMJVJFFRJK-OAHLLOKOSA-N 1 1 323.418 2.511 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc[nH+]cc3Cl)C2)nc1 ZINC000302783770 427869804 /nfs/dbraw/zinc/86/98/04/427869804.db2.gz LGVLISDPRKMAMH-JTQLQIEISA-N 1 1 319.752 2.729 20 5 DFBDMO CC(C)C[N@H+]1CC[C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302882655 427885725 /nfs/dbraw/zinc/88/57/25/427885725.db2.gz KCJMUPUKDUMEFK-CYBMUJFWSA-N 1 1 318.421 2.953 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCn4cc[nH+]c4C3)n2)cc1 ZINC000349889620 427890471 /nfs/dbraw/zinc/89/04/71/427890471.db2.gz SPTOCGQQPSKWSS-NSHDSACASA-N 1 1 311.301 2.571 20 5 DFBDMO CC(C)OCC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000349903764 427894043 /nfs/dbraw/zinc/89/40/43/427894043.db2.gz AXWWYUVQWRSSTA-QGZVFWFLSA-N 1 1 322.405 2.735 20 5 DFBDMO Cc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000349901966 427894462 /nfs/dbraw/zinc/89/44/62/427894462.db2.gz FQRBFPOPKFMRDT-UHFFFAOYSA-N 1 1 306.753 3.310 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCCc1ccccc1 ZINC000355792905 427897821 /nfs/dbraw/zinc/89/78/21/427897821.db2.gz WDIOLAHNARZEBN-UHFFFAOYSA-N 1 1 302.378 2.783 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCCc1ccccc1 ZINC000355792905 427897825 /nfs/dbraw/zinc/89/78/25/427897825.db2.gz WDIOLAHNARZEBN-UHFFFAOYSA-N 1 1 302.378 2.783 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000349980128 427914709 /nfs/dbraw/zinc/91/47/09/427914709.db2.gz YMIVDXOVZXNWPA-QGZVFWFLSA-N 1 1 313.357 2.952 20 5 DFBDMO COCCC[N@@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413168984 427980667 /nfs/dbraw/zinc/98/06/67/427980667.db2.gz LIODASMBZJYTFA-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DFBDMO CN(C)c1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000359627824 427942080 /nfs/dbraw/zinc/94/20/80/427942080.db2.gz CGKYVUQCAHSOKE-UHFFFAOYSA-N 1 1 320.736 2.962 20 5 DFBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355915891 427946046 /nfs/dbraw/zinc/94/60/46/427946046.db2.gz PYKTYKZDLMVMTB-CHWSQXEVSA-N 1 1 313.361 2.632 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340204619 427952896 /nfs/dbraw/zinc/95/28/96/427952896.db2.gz VKTKRITWLYZNMF-CHWSQXEVSA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340204619 427952904 /nfs/dbraw/zinc/95/29/04/427952904.db2.gz VKTKRITWLYZNMF-CHWSQXEVSA-N 1 1 318.295 2.873 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369764354 428054202 /nfs/dbraw/zinc/05/42/02/428054202.db2.gz BRYYQHCPAZNICM-HOTGVXAUSA-N 1 1 307.369 2.793 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346183150 428055150 /nfs/dbraw/zinc/05/51/50/428055150.db2.gz QMMCXDCYRVNFNW-UHFFFAOYSA-N 1 1 313.785 2.708 20 5 DFBDMO Cc1c(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000369766432 428055800 /nfs/dbraw/zinc/05/58/00/428055800.db2.gz LRKNOXJSVPNVFC-DLBZAZTESA-N 1 1 303.406 2.962 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000359743294 428000510 /nfs/dbraw/zinc/00/05/10/428000510.db2.gz MQJMBZLSQBIOLY-NSHDSACASA-N 1 1 311.357 2.584 20 5 DFBDMO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000413248141 428001211 /nfs/dbraw/zinc/00/12/11/428001211.db2.gz JRFJRNVLUVIGCV-GFCCVEGCSA-N 1 1 309.329 2.766 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000369585622 428005976 /nfs/dbraw/zinc/00/59/76/428005976.db2.gz UAEOUNGXGLUPKZ-ARFHVFGLSA-N 1 1 320.389 2.719 20 5 DFBDMO Cc1cccc([C@]2(F)CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000377135065 428067789 /nfs/dbraw/zinc/06/77/89/428067789.db2.gz XYKDEVZXLNBNCD-INIZCTEOSA-N 1 1 318.352 2.670 20 5 DFBDMO Cc1cccc([C@]2(F)CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000377135065 428067792 /nfs/dbraw/zinc/06/77/92/428067792.db2.gz XYKDEVZXLNBNCD-INIZCTEOSA-N 1 1 318.352 2.670 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370011951 428111868 /nfs/dbraw/zinc/11/18/68/428111868.db2.gz SXINDQLCOBARCG-KBPBESRZSA-N 1 1 314.389 2.954 20 5 DFBDMO CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412788 428125002 /nfs/dbraw/zinc/12/50/02/428125002.db2.gz OUWGMLAOWQZGQO-JSGCOSHPSA-N 1 1 300.362 2.916 20 5 DFBDMO Cc1cccc([C@@]2(F)CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000377135066 428066305 /nfs/dbraw/zinc/06/63/05/428066305.db2.gz XYKDEVZXLNBNCD-MRXNPFEDSA-N 1 1 318.352 2.670 20 5 DFBDMO Cc1cccc([C@@]2(F)CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000377135066 428066310 /nfs/dbraw/zinc/06/63/10/428066310.db2.gz XYKDEVZXLNBNCD-MRXNPFEDSA-N 1 1 318.352 2.670 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352357541 428132730 /nfs/dbraw/zinc/13/27/30/428132730.db2.gz RWVKHPPSHQEWKS-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358238 428133643 /nfs/dbraw/zinc/13/36/43/428133643.db2.gz XICTVNHHMLEYIK-CYBMUJFWSA-N 1 1 314.389 3.429 20 5 DFBDMO Cc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360050175 428134066 /nfs/dbraw/zinc/13/40/66/428134066.db2.gz JPZYZFMKWOBLBV-NSHDSACASA-N 1 1 304.325 2.770 20 5 DFBDMO CC(C)[C@@]1(CO)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000377730039 428210528 /nfs/dbraw/zinc/21/05/28/428210528.db2.gz ZVRFUWDQLPFYIJ-KRWDZBQOSA-N 1 1 322.405 2.704 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1noc([C@@H]2CCCc3[nH+]ccn32)n1 ZINC000377799616 428230603 /nfs/dbraw/zinc/23/06/03/428230603.db2.gz WWJHQPIAORSURG-LBPRGKRZSA-N 1 1 311.301 2.767 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000346490664 428194362 /nfs/dbraw/zinc/19/43/62/428194362.db2.gz SZBGCQVAWHZDTP-QWHCGFSZSA-N 1 1 320.393 2.850 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000342020834 428277599 /nfs/dbraw/zinc/27/75/99/428277599.db2.gz OIIGRPBCWZGXFW-ZFWWWQNUSA-N 1 1 306.362 2.747 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000346707697 428283894 /nfs/dbraw/zinc/28/38/94/428283894.db2.gz IBYHBLSRRJNPHE-CYBMUJFWSA-N 1 1 320.393 2.770 20 5 DFBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000352865906 428287702 /nfs/dbraw/zinc/28/77/02/428287702.db2.gz FNFJRRKHTMWKRK-ZBFHGGJFSA-N 1 1 322.405 2.989 20 5 DFBDMO O=C(C[N@@H+]1C[C@@H]2CCCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000378048959 428294208 /nfs/dbraw/zinc/29/42/08/428294208.db2.gz NAGBPJQAAHQPLV-GXTWGEPZSA-N 1 1 303.362 2.798 20 5 DFBDMO O=C(C[N@H+]1C[C@@H]2CCCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000378048959 428294212 /nfs/dbraw/zinc/29/42/12/428294212.db2.gz NAGBPJQAAHQPLV-GXTWGEPZSA-N 1 1 303.362 2.798 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352776519 428242553 /nfs/dbraw/zinc/24/25/53/428242553.db2.gz CRSFCIKTAQIXHV-GJZGRUSLSA-N 1 1 320.389 2.852 20 5 DFBDMO CCOc1ccc([C@@H](C)N[C@@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342741 428262542 /nfs/dbraw/zinc/26/25/42/428262542.db2.gz MSZGMGSPOGSBBX-TZMCWYRMSA-N 1 1 307.394 2.738 20 5 DFBDMO CCOc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342741 428262548 /nfs/dbraw/zinc/26/25/48/428262548.db2.gz MSZGMGSPOGSBBX-TZMCWYRMSA-N 1 1 307.394 2.738 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356811759 428317307 /nfs/dbraw/zinc/31/73/07/428317307.db2.gz PVAJSYKCDZPNKB-JTQLQIEISA-N 1 1 313.785 2.707 20 5 DFBDMO Cc1c(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360526325 428331713 /nfs/dbraw/zinc/33/17/13/428331713.db2.gz FDKUIMWIIKJEEM-SCRDCRAPSA-N 1 1 319.405 2.781 20 5 DFBDMO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000414555965 428341483 /nfs/dbraw/zinc/34/14/83/428341483.db2.gz IWQGCCBSSIXMFI-PKYBCLHXSA-N 1 1 317.389 2.597 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](COC(F)F)C2)cc1 ZINC000353005383 428346005 /nfs/dbraw/zinc/34/60/05/428346005.db2.gz CRYINOJVSOAALM-GFCCVEGCSA-N 1 1 300.305 2.698 20 5 DFBDMO C[C@H](C[NH+](C)C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000342225392 428359464 /nfs/dbraw/zinc/35/94/64/428359464.db2.gz WUOHATBWCQSALZ-GFCCVEGCSA-N 1 1 303.362 2.895 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000353024559 428359988 /nfs/dbraw/zinc/35/99/88/428359988.db2.gz PEARUTBFHLFXFO-LLVKDONJSA-N 1 1 316.304 2.535 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000414890198 428447114 /nfs/dbraw/zinc/44/71/14/428447114.db2.gz MFKVBBROYQHTQN-KBMXLJTQSA-N 1 1 303.406 2.648 20 5 DFBDMO Cc1ccc(CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000372416793 428447109 /nfs/dbraw/zinc/44/71/09/428447109.db2.gz RFDMOADSRJHBNX-HOTGVXAUSA-N 1 1 303.406 2.962 20 5 DFBDMO [NH3+]CC(F)(F)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414931680 428460816 /nfs/dbraw/zinc/46/08/16/428460816.db2.gz QRARUJGOWYVLSY-UHFFFAOYSA-N 1 1 311.288 2.538 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCc2nccn2C1 ZINC000372576253 428465455 /nfs/dbraw/zinc/46/54/55/428465455.db2.gz YBLCATGCUBQNLI-OAHLLOKOSA-N 1 1 314.389 2.528 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000360918439 428491306 /nfs/dbraw/zinc/49/13/06/428491306.db2.gz JUGPEMYVXHWTFC-ZDUSSCGKSA-N 1 1 305.378 2.575 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415037677 428496321 /nfs/dbraw/zinc/49/63/21/428496321.db2.gz HCLOIWQHWHVHFS-RHSMWYFYSA-N 1 1 303.406 2.867 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347285296 428528958 /nfs/dbraw/zinc/52/89/58/428528958.db2.gz MMIGPLPLONHPPI-LLVKDONJSA-N 1 1 324.356 2.587 20 5 DFBDMO C[C@H]([NH2+]CC(=O)NC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000358102882 428580653 /nfs/dbraw/zinc/58/06/53/428580653.db2.gz WVSARNUWDMBIGU-LBPRGKRZSA-N 1 1 305.378 2.694 20 5 DFBDMO CSC[C@H](C)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353529451 428581903 /nfs/dbraw/zinc/58/19/03/428581903.db2.gz PYFWSKLIUOQTFX-FZMZJTMJSA-N 1 1 320.418 2.759 20 5 DFBDMO CCOC(=O)CC(C)(C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000343886712 428593058 /nfs/dbraw/zinc/59/30/58/428593058.db2.gz KWOSLXDXGQZBBV-UHFFFAOYSA-N 1 1 300.380 2.820 20 5 DFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000343886712 428593060 /nfs/dbraw/zinc/59/30/60/428593060.db2.gz KWOSLXDXGQZBBV-UHFFFAOYSA-N 1 1 300.380 2.820 20 5 DFBDMO C[C@H](CCNc1ccc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000353451975 428542955 /nfs/dbraw/zinc/54/29/55/428542955.db2.gz UGGQFCJINPZOIC-CQSZACIVSA-N 1 1 314.389 3.312 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)CC[C@@H]1C ZINC000353450994 428543155 /nfs/dbraw/zinc/54/31/55/428543155.db2.gz VHHWNAGJNWITDZ-ZDUSSCGKSA-N 1 1 307.394 2.520 20 5 DFBDMO CN1Cc2ccccc2[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000361171169 428544330 /nfs/dbraw/zinc/54/43/30/428544330.db2.gz TVPWYCBGJHRONK-AWEZNQCLSA-N 1 1 303.387 2.933 20 5 DFBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000357617447 428550900 /nfs/dbraw/zinc/55/09/00/428550900.db2.gz ZSQDJLZHDFEDGM-GFCCVEGCSA-N 1 1 301.350 2.590 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000358307527 428594112 /nfs/dbraw/zinc/59/41/12/428594112.db2.gz GJMFWTMGSHYMSN-CYBMUJFWSA-N 1 1 320.393 2.899 20 5 DFBDMO CCCC[N@H+](CC(N)=O)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347348379 428559693 /nfs/dbraw/zinc/55/96/93/428559693.db2.gz XGTUFEVISNMQBJ-UKTHLTGXSA-N 1 1 305.378 2.586 20 5 DFBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361407685 428564411 /nfs/dbraw/zinc/56/44/11/428564411.db2.gz GAZSFIRZCCWNQX-CQSZACIVSA-N 1 1 317.345 2.595 20 5 DFBDMO O=C(CC[N@H+]1CC2CCC1CC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000373425786 428572385 /nfs/dbraw/zinc/57/23/85/428572385.db2.gz GLVZWFDTVAFCRL-UHFFFAOYSA-N 1 1 321.352 2.937 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+]CC1(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353617959 428623244 /nfs/dbraw/zinc/62/32/44/428623244.db2.gz FMIRFKXIEDQDJO-CQSZACIVSA-N 1 1 300.362 2.807 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000408243263 428626419 /nfs/dbraw/zinc/62/64/19/428626419.db2.gz FJSUDOMLQXNLSV-OLZOCXBDSA-N 1 1 320.393 2.768 20 5 DFBDMO COCC(C)(C)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000292106621 274016783 /nfs/dbraw/zinc/01/67/83/274016783.db2.gz ILYBZRUXNKIUDU-UHFFFAOYSA-N 1 1 300.330 2.599 20 5 DFBDMO COCC(C)(C)[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000292106621 274016784 /nfs/dbraw/zinc/01/67/84/274016784.db2.gz ILYBZRUXNKIUDU-UHFFFAOYSA-N 1 1 300.330 2.599 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCSCC[C@@H]1C ZINC000348179735 428644896 /nfs/dbraw/zinc/64/48/96/428644896.db2.gz GVFRWDWFZSQAPI-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCSCC[C@@H]1C ZINC000348179735 428644902 /nfs/dbraw/zinc/64/49/02/428644902.db2.gz GVFRWDWFZSQAPI-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000408348604 428644961 /nfs/dbraw/zinc/64/49/61/428644961.db2.gz IRUDJVIFNFNTOT-CKEIUWERSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000408348604 428644967 /nfs/dbraw/zinc/64/49/67/428644967.db2.gz IRUDJVIFNFNTOT-CKEIUWERSA-N 1 1 320.389 2.926 20 5 DFBDMO Cc1cc(N2CC[N@H+](C)C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408433626 428659136 /nfs/dbraw/zinc/65/91/36/428659136.db2.gz NBMPBDOCCCQAMD-GFCCVEGCSA-N 1 1 300.362 2.592 20 5 DFBDMO C[C@@H](C1CCC1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000357036491 274205391 /nfs/dbraw/zinc/20/53/91/274205391.db2.gz KNMPYJWGEOWMKT-LBPRGKRZSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@@H]1CCCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000358405615 274284706 /nfs/dbraw/zinc/28/47/06/274284706.db2.gz CBGYGOKCEONMEC-CYBMUJFWSA-N 1 1 317.389 2.748 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000374542135 428696305 /nfs/dbraw/zinc/69/63/05/428696305.db2.gz SNZAOWPKGUGZGR-JTQLQIEISA-N 1 1 321.768 2.746 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000374542135 428696308 /nfs/dbraw/zinc/69/63/08/428696308.db2.gz SNZAOWPKGUGZGR-JTQLQIEISA-N 1 1 321.768 2.746 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000353745116 428690166 /nfs/dbraw/zinc/69/01/66/428690166.db2.gz GZGHVZNUMXXNBI-QGZVFWFLSA-N 1 1 320.389 2.996 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C(C)C)C1CC1 ZINC000411176215 428753241 /nfs/dbraw/zinc/75/32/41/428753241.db2.gz SLHUGBKHFXCPIP-UHFFFAOYSA-N 1 1 321.377 2.805 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1F ZINC000374791443 428754346 /nfs/dbraw/zinc/75/43/46/428754346.db2.gz FQVVKQLJMBFMTI-ZDUSSCGKSA-N 1 1 316.336 2.904 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1F ZINC000374791443 428754353 /nfs/dbraw/zinc/75/43/53/428754353.db2.gz FQVVKQLJMBFMTI-ZDUSSCGKSA-N 1 1 316.336 2.904 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H]1C ZINC000411279346 428769352 /nfs/dbraw/zinc/76/93/52/428769352.db2.gz BUVQQBBTPXCNPB-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cccc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000348554415 428787462 /nfs/dbraw/zinc/78/74/62/428787462.db2.gz RNXOHBCKFZGQLN-UHFFFAOYSA-N 1 1 301.346 2.809 20 5 DFBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000358953671 428747967 /nfs/dbraw/zinc/74/79/67/428747967.db2.gz OARDTGIIOOZVTD-GFCCVEGCSA-N 1 1 303.362 2.836 20 5 DFBDMO CCC(=O)c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000358953671 428747972 /nfs/dbraw/zinc/74/79/72/428747972.db2.gz OARDTGIIOOZVTD-GFCCVEGCSA-N 1 1 303.362 2.836 20 5 DFBDMO C[C@H]1CC[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000354083325 428852698 /nfs/dbraw/zinc/85/26/98/428852698.db2.gz BBEAQRPUQXYXOQ-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000354023507 428827369 /nfs/dbraw/zinc/82/73/69/428827369.db2.gz CTPMCMRWGQAOLT-UONOGXRCSA-N 1 1 322.405 2.703 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCNC(=O)[C@@H]1CC(C)C ZINC000354053123 428841096 /nfs/dbraw/zinc/84/10/96/428841096.db2.gz KCAFVIPJBHEZJO-INIZCTEOSA-N 1 1 319.405 2.640 20 5 DFBDMO COc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000363108591 428859961 /nfs/dbraw/zinc/85/99/61/428859961.db2.gz UINWNWFQEDTUSQ-NEPJUHHUSA-N 1 1 321.377 2.651 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375387318 428870816 /nfs/dbraw/zinc/87/08/16/428870816.db2.gz NUCVUIRWQZIQQT-HOCLYGCPSA-N 1 1 306.362 2.747 20 5 DFBDMO COc1ccc(C[NH2+][C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000418096020 428880154 /nfs/dbraw/zinc/88/01/54/428880154.db2.gz HQOQRUDBVYADPN-OAHLLOKOSA-N 1 1 314.341 2.965 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449844 428917387 /nfs/dbraw/zinc/91/73/87/428917387.db2.gz NGDVEMDRPSPMMX-IRXDYDNUSA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449844 428917392 /nfs/dbraw/zinc/91/73/92/428917392.db2.gz NGDVEMDRPSPMMX-IRXDYDNUSA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@H]1[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449844 428917394 /nfs/dbraw/zinc/91/73/94/428917394.db2.gz NGDVEMDRPSPMMX-IRXDYDNUSA-N 1 1 319.405 2.532 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349115866 428922680 /nfs/dbraw/zinc/92/26/80/428922680.db2.gz FKVAZTGRXYGTNN-DOMZBBRYSA-N 1 1 305.378 2.646 20 5 DFBDMO CC(C)OCC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000349213713 428942073 /nfs/dbraw/zinc/94/20/73/428942073.db2.gz DPIPVMYXLLNGOI-QGZVFWFLSA-N 1 1 324.421 2.981 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433323097 429025828 /nfs/dbraw/zinc/02/58/28/429025828.db2.gz ULSGZUMKHOMOBT-ZDUSSCGKSA-N 1 1 320.780 2.934 20 5 DFBDMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000451958369 429025996 /nfs/dbraw/zinc/02/59/96/429025996.db2.gz WEQBNSLELICFBR-RRFJBIMHSA-N 1 1 322.405 2.845 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809717 428982421 /nfs/dbraw/zinc/98/24/21/428982421.db2.gz FJWAIUUMROLQAT-IAGOWNOFSA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809717 428982423 /nfs/dbraw/zinc/98/24/23/428982423.db2.gz FJWAIUUMROLQAT-IAGOWNOFSA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@@H]1[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809717 428982428 /nfs/dbraw/zinc/98/24/28/428982428.db2.gz FJWAIUUMROLQAT-IAGOWNOFSA-N 1 1 319.405 2.532 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375813191 428983078 /nfs/dbraw/zinc/98/30/78/428983078.db2.gz JFYOOLMPGFUZAM-DOMZBBRYSA-N 1 1 318.377 2.685 20 5 DFBDMO Cc1c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000375815637 428984244 /nfs/dbraw/zinc/98/42/44/428984244.db2.gz PAKSWZJZKOJBKX-GXTWGEPZSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000375859129 428999029 /nfs/dbraw/zinc/99/90/29/428999029.db2.gz ILVPHFMPQCFRJL-GDBMZVCRSA-N 1 1 317.389 2.684 20 5 DFBDMO CC(C)C1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000433151546 429001502 /nfs/dbraw/zinc/00/15/02/429001502.db2.gz OIIFVWQRDBQPOT-UHFFFAOYSA-N 1 1 321.421 2.903 20 5 DFBDMO C[C@H]1CCC(C)(C)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452020382 429039220 /nfs/dbraw/zinc/03/92/20/429039220.db2.gz ZITYGSBPBXZWIU-STQMWFEESA-N 1 1 308.378 2.597 20 5 DFBDMO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376183819 429071843 /nfs/dbraw/zinc/07/18/43/429071843.db2.gz DOBGKLFHXNPNPU-QYJAPNMZSA-N 1 1 320.349 2.564 20 5 DFBDMO Cc1sc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434444938 429088044 /nfs/dbraw/zinc/08/80/44/429088044.db2.gz MCMLQINNKDITSL-LBPRGKRZSA-N 1 1 323.418 2.711 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494705320 429148113 /nfs/dbraw/zinc/14/81/13/429148113.db2.gz APLLBSJMGSRSLU-HNNXBMFYSA-N 1 1 320.389 2.865 20 5 DFBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+]1C ZINC000413157263 429152203 /nfs/dbraw/zinc/15/22/03/429152203.db2.gz HHKHJEYPQUEPEX-IUCAKERBSA-N 1 1 318.299 2.903 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCn2cc[nH+]c21 ZINC000376409361 429107783 /nfs/dbraw/zinc/10/77/83/429107783.db2.gz SRFISZNPMPHECT-GFCCVEGCSA-N 1 1 314.345 2.983 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1NCc1c[nH+]c3n1CCCC3)CCN2 ZINC000376488115 429120248 /nfs/dbraw/zinc/12/02/48/429120248.db2.gz NXUCCXJHABMVJE-UHFFFAOYSA-N 1 1 313.361 2.708 20 5 DFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000413064027 429130577 /nfs/dbraw/zinc/13/05/77/429130577.db2.gz ACUZBMHJSVQQAH-QMMMGPOBSA-N 1 1 316.283 2.657 20 5 DFBDMO CC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413081282 429133887 /nfs/dbraw/zinc/13/38/87/429133887.db2.gz ZHBBZOPOOJXLEF-SECBINFHSA-N 1 1 318.299 2.905 20 5 DFBDMO CC[N@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413081284 429134166 /nfs/dbraw/zinc/13/41/66/429134166.db2.gz ZHBBZOPOOJXLEF-VIFPVBQESA-N 1 1 318.299 2.905 20 5 DFBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000375317322 275026416 /nfs/dbraw/zinc/02/64/16/275026416.db2.gz DFXXRIZAOUQKGM-SFHVURJKSA-N 1 1 323.352 2.691 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cs1 ZINC000378524378 275033186 /nfs/dbraw/zinc/03/31/86/275033186.db2.gz ZRNFGIDBOYLAOO-OAHLLOKOSA-N 1 1 322.361 2.889 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cs1 ZINC000378524378 275033187 /nfs/dbraw/zinc/03/31/87/275033187.db2.gz ZRNFGIDBOYLAOO-OAHLLOKOSA-N 1 1 322.361 2.889 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000364163142 429173101 /nfs/dbraw/zinc/17/31/01/429173101.db2.gz SDDJHXPBZXTHQI-QGZVFWFLSA-N 1 1 314.389 2.926 20 5 DFBDMO COc1cccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000364283020 429174127 /nfs/dbraw/zinc/17/41/27/429174127.db2.gz QSLTXWONFMGAQW-IHRRRGAJSA-N 1 1 317.389 2.524 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487930666 429175816 /nfs/dbraw/zinc/17/58/16/429175816.db2.gz FZLJKEWYVNEZAU-CYBMUJFWSA-N 1 1 314.389 2.709 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000364329921 429182640 /nfs/dbraw/zinc/18/26/40/429182640.db2.gz SXACEBPAONUILZ-GFCCVEGCSA-N 1 1 306.391 2.998 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1 ZINC000488720201 429191258 /nfs/dbraw/zinc/19/12/58/429191258.db2.gz OXPDMLTVWFXQNV-LBPRGKRZSA-N 1 1 318.421 2.917 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488762575 429196788 /nfs/dbraw/zinc/19/67/88/429196788.db2.gz DJYUIFNSMMJMDN-STQMWFEESA-N 1 1 308.378 2.585 20 5 DFBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489405742 429237812 /nfs/dbraw/zinc/23/78/12/429237812.db2.gz OWVVIHWMPNZLKN-LBPRGKRZSA-N 1 1 311.769 2.917 20 5 DFBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489405742 429237813 /nfs/dbraw/zinc/23/78/13/429237813.db2.gz OWVVIHWMPNZLKN-LBPRGKRZSA-N 1 1 311.769 2.917 20 5 DFBDMO O=[N+]([O-])c1cnccc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425272902 429256490 /nfs/dbraw/zinc/25/64/90/429256490.db2.gz HNHOVTNVTVVZAC-MAUKXSAKSA-N 1 1 324.384 2.701 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000364740537 429259306 /nfs/dbraw/zinc/25/93/06/429259306.db2.gz CRTGOXMUGKRNPZ-MRXNPFEDSA-N 1 1 300.362 2.846 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c2ncccc12 ZINC000489883006 429266073 /nfs/dbraw/zinc/26/60/73/429266073.db2.gz IFQZZRYQCQQRCZ-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000365437303 429318385 /nfs/dbraw/zinc/31/83/85/429318385.db2.gz LXMSPKOYASBMPM-QWHCGFSZSA-N 1 1 323.780 2.605 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425554850 429322678 /nfs/dbraw/zinc/32/26/78/429322678.db2.gz WYMBDORIIWLSGY-VXGBXAGGSA-N 1 1 301.350 2.572 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425503506 429311978 /nfs/dbraw/zinc/31/19/78/429311978.db2.gz SLWJHVCPTYNYSY-QWHCGFSZSA-N 1 1 301.350 2.584 20 5 DFBDMO Cc1ccc(C(=O)NCC[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000457076441 429391725 /nfs/dbraw/zinc/39/17/25/429391725.db2.gz NSFBYATZSVGWMB-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO C[N@@H+](CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000491521264 429368677 /nfs/dbraw/zinc/36/86/77/429368677.db2.gz UBONTRRYBYZMDA-KTKRTIGZSA-N 1 1 317.389 2.599 20 5 DFBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365792899 429373305 /nfs/dbraw/zinc/37/33/05/429373305.db2.gz CSRXQRAOAIQEMQ-GFCCVEGCSA-N 1 1 323.349 2.752 20 5 DFBDMO Cn1ccnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502930 429436466 /nfs/dbraw/zinc/43/64/66/429436466.db2.gz SGXAAOGCWJFVJQ-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO Cn1ccnc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502930 429436470 /nfs/dbraw/zinc/43/64/70/429436470.db2.gz SGXAAOGCWJFVJQ-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000520224568 429506073 /nfs/dbraw/zinc/50/60/73/429506073.db2.gz MPFBUEICACOEJN-LSDHHAIUSA-N 1 1 320.389 2.865 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000449788182 429510934 /nfs/dbraw/zinc/51/09/34/429510934.db2.gz DBBYQVSYHLMZIK-CYBMUJFWSA-N 1 1 308.378 2.588 20 5 DFBDMO CCOc1cc(CN(C)C[C@H]2CCC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000492790152 429616185 /nfs/dbraw/zinc/61/61/85/429616185.db2.gz OREFWWMGZBEKRT-OAHLLOKOSA-N 1 1 321.421 2.910 20 5 DFBDMO CCOc1cc(N2CC[N@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000450545742 429645349 /nfs/dbraw/zinc/64/53/49/429645349.db2.gz AQMMYJYLCKCCOP-ZDUSSCGKSA-N 1 1 319.405 2.914 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429372772 429604091 /nfs/dbraw/zinc/60/40/91/429604091.db2.gz OKYQNDCEGOJITF-ZFWWWQNUSA-N 1 1 306.362 2.614 20 5 DFBDMO CCc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000458222756 429605025 /nfs/dbraw/zinc/60/50/25/429605025.db2.gz QPMZGQAYUSAOBG-CYBMUJFWSA-N 1 1 319.405 2.619 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)CC1CCCCC1 ZINC000430214190 429663219 /nfs/dbraw/zinc/66/32/19/429663219.db2.gz XMWIWJGCJMUGDL-UHFFFAOYSA-N 1 1 322.405 2.978 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430211106 429663685 /nfs/dbraw/zinc/66/36/85/429663685.db2.gz WXSVGGKKBSOWQO-QWHCGFSZSA-N 1 1 307.394 2.518 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCC1CCOCC1 ZINC000430217648 429663936 /nfs/dbraw/zinc/66/39/36/429663936.db2.gz JYNJMRMDVFTSNA-UHFFFAOYSA-N 1 1 308.378 2.852 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430211107 429663946 /nfs/dbraw/zinc/66/39/46/429663946.db2.gz WXSVGGKKBSOWQO-STQMWFEESA-N 1 1 307.394 2.518 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000430227910 429664930 /nfs/dbraw/zinc/66/49/30/429664930.db2.gz CPMUEZGHBKVGFV-JSGCOSHPSA-N 1 1 308.378 2.729 20 5 DFBDMO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000493004432 429666137 /nfs/dbraw/zinc/66/61/37/429666137.db2.gz PIKAIPQUJZRTCT-GFCCVEGCSA-N 1 1 309.797 2.917 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243986 429666310 /nfs/dbraw/zinc/66/63/10/429666310.db2.gz NGPZXLITABSPLM-DZGCQCFKSA-N 1 1 321.421 2.908 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000430241214 429667758 /nfs/dbraw/zinc/66/77/58/429667758.db2.gz GEARFNLHGPAONY-TZMCWYRMSA-N 1 1 307.394 2.518 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000430245936 429668181 /nfs/dbraw/zinc/66/81/81/429668181.db2.gz VAVDVBZPNQITLO-QGZVFWFLSA-N 1 1 320.389 2.996 20 5 DFBDMO CN1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000367553658 429669935 /nfs/dbraw/zinc/66/99/35/429669935.db2.gz QGOKBMBKSFQUSE-IXDOHACOSA-N 1 1 303.406 2.600 20 5 DFBDMO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)S1 ZINC000525787468 429673008 /nfs/dbraw/zinc/67/30/08/429673008.db2.gz LBIQOLSRYBEBET-QWRGUYRKSA-N 1 1 324.402 2.787 20 5 DFBDMO Cn1cc([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)cn1 ZINC000493032248 429673410 /nfs/dbraw/zinc/67/34/10/429673410.db2.gz KMELMYIZENSQOI-LLVKDONJSA-N 1 1 320.780 2.971 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000153829541 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20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000592519438 398440035 /nfs/dbraw/zinc/44/00/35/398440035.db2.gz OYYYKLLRCWGQGI-HNNXBMFYSA-N 1 1 308.403 2.611 20 5 DFBDMO C[C@H](O)C[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000269773231 398447288 /nfs/dbraw/zinc/44/72/88/398447288.db2.gz CDOMOAOKWYLUMU-DZGCQCFKSA-N 1 1 308.378 2.599 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CC(N)=O)CC1 ZINC000585796349 398447798 /nfs/dbraw/zinc/44/77/98/398447798.db2.gz RJEYUUBKJYWONN-ZIAGYGMSSA-N 1 1 319.405 2.942 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000585796333 398447915 /nfs/dbraw/zinc/44/79/15/398447915.db2.gz QLAHJIVBDUFTKC-STQMWFEESA-N 1 1 305.378 2.633 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000299364477 529990392 /nfs/dbraw/zinc/99/03/92/529990392.db2.gz WETMXKOTOBPYLD-KRWDZBQOSA-N 1 1 300.358 2.630 20 5 DFBDMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000596625307 398464217 /nfs/dbraw/zinc/46/42/17/398464217.db2.gz BPZZNBQKEROWOS-CYBMUJFWSA-N 1 1 306.366 2.509 20 5 DFBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000083415924 192369278 /nfs/dbraw/zinc/36/92/78/192369278.db2.gz AQWIWHOGAZFOBC-UHFFFAOYSA-N 1 1 323.418 2.751 20 5 DFBDMO O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3cccs3)CC2)c1 ZINC000016395175 282371198 /nfs/dbraw/zinc/37/11/98/282371198.db2.gz XTKLMYOAEOZNPP-UHFFFAOYSA-N 1 1 317.414 2.974 20 5 DFBDMO CC(C)(C)OCCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000355282947 534977448 /nfs/dbraw/zinc/97/74/48/534977448.db2.gz SIBPTAXEFXNZFH-UHFFFAOYSA-N 1 1 307.394 2.943 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000330931524 232175968 /nfs/dbraw/zinc/17/59/68/232175968.db2.gz UNBFNHPGBJPFHO-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000330931524 232175975 /nfs/dbraw/zinc/17/59/75/232175975.db2.gz UNBFNHPGBJPFHO-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3c[nH+]cn3C2)c2ccncc21 ZINC000588067677 398480259 /nfs/dbraw/zinc/48/02/59/398480259.db2.gz IKPIMUJTWKBGAR-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO CC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000592773301 398482583 /nfs/dbraw/zinc/48/25/83/398482583.db2.gz UCUZSEMBCSRMQU-CABCVRRESA-N 1 1 305.378 2.646 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000596787425 398501441 /nfs/dbraw/zinc/50/14/41/398501441.db2.gz HWPWMJBRQVUZHP-ZDUSSCGKSA-N 1 1 320.393 2.817 20 5 DFBDMO CCN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000596867655 398518956 /nfs/dbraw/zinc/51/89/56/398518956.db2.gz SNFXIZQIDUKYGQ-CYBMUJFWSA-N 1 1 320.393 2.770 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000279667478 215046481 /nfs/dbraw/zinc/04/64/81/215046481.db2.gz DSARXRNBABGZJG-CQSZACIVSA-N 1 1 321.421 2.698 20 5 DFBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000272660517 210065984 /nfs/dbraw/zinc/06/59/84/210065984.db2.gz BTTZIICIQCIDLK-SNVBAGLBSA-N 1 1 323.780 2.628 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC23CCCC3)c2c(c1)COCO2 ZINC000593040002 398528096 /nfs/dbraw/zinc/52/80/96/398528096.db2.gz VCIPOICGLHKCMZ-UHFFFAOYSA-N 1 1 304.346 2.980 20 5 DFBDMO CCc1ccc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272653448 210059316 /nfs/dbraw/zinc/05/93/16/210059316.db2.gz FMHYAJPKIIWXGQ-LBPRGKRZSA-N 1 1 317.389 2.537 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593048342 398530322 /nfs/dbraw/zinc/53/03/22/398530322.db2.gz CBMVQFTVGRLJGY-UHFFFAOYSA-N 1 1 320.389 2.730 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNc2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000091457698 398530359 /nfs/dbraw/zinc/53/03/59/398530359.db2.gz QNLOPZOQCOSWFO-NSHDSACASA-N 1 1 311.357 2.886 20 5 DFBDMO CC(C)O[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000593055800 398532309 /nfs/dbraw/zinc/53/23/09/398532309.db2.gz QEMSGXQFHAVCBB-CQSZACIVSA-N 1 1 308.378 2.863 20 5 DFBDMO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000279729143 215096455 /nfs/dbraw/zinc/09/64/55/215096455.db2.gz VROIKCWICRAVLT-AWEZNQCLSA-N 1 1 309.322 2.504 20 5 DFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000279729143 215096459 /nfs/dbraw/zinc/09/64/59/215096459.db2.gz VROIKCWICRAVLT-AWEZNQCLSA-N 1 1 309.322 2.504 20 5 DFBDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000032732198 398537338 /nfs/dbraw/zinc/53/73/38/398537338.db2.gz WNBIVZKEOPZBAK-KGLIPLIRSA-N 1 1 319.405 2.896 20 5 DFBDMO CC(=O)c1ccc(N2CCC[N@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000068916436 398537429 /nfs/dbraw/zinc/53/74/29/398537429.db2.gz AMSZTTZJDWXUSM-UHFFFAOYSA-N 1 1 305.378 2.718 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000589502052 398557526 /nfs/dbraw/zinc/55/75/26/398557526.db2.gz GRKYFSSCTXPXHT-VXGBXAGGSA-N 1 1 306.362 2.859 20 5 DFBDMO Cn1ncc(C2CC2)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000597128153 398571063 /nfs/dbraw/zinc/57/10/63/398571063.db2.gz JHLPNQKQIGZDGN-UHFFFAOYSA-N 1 1 314.389 2.880 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000593203878 398571572 /nfs/dbraw/zinc/57/15/72/398571572.db2.gz JQAVULIBYWGDFE-UHFFFAOYSA-N 1 1 307.394 2.611 20 5 DFBDMO CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593204166 398571705 /nfs/dbraw/zinc/57/17/05/398571705.db2.gz WFZCMNWKPMFCSV-CQSZACIVSA-N 1 1 321.421 2.792 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000069612183 398578630 /nfs/dbraw/zinc/57/86/30/398578630.db2.gz TWBWDNOCIPNCBT-UHFFFAOYSA-N 1 1 320.393 2.851 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](CO)C2)o1 ZINC000092763801 398600058 /nfs/dbraw/zinc/60/00/58/398600058.db2.gz RYFLFTYVEAABME-LBPRGKRZSA-N 1 1 302.330 2.669 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C1CCCCC1 ZINC000071088455 398610250 /nfs/dbraw/zinc/61/02/50/398610250.db2.gz AOMQYZIBKULXEP-UHFFFAOYSA-N 1 1 308.378 2.730 20 5 DFBDMO COc1cc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000459683313 299164107 /nfs/dbraw/zinc/16/41/07/299164107.db2.gz TXYFLKQRTIJDFO-ZFWWWQNUSA-N 1 1 318.373 2.604 20 5 DFBDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000459694144 299166288 /nfs/dbraw/zinc/16/62/88/299166288.db2.gz DEHAUYBLLYJRPJ-HIFRSBDPSA-N 1 1 318.373 2.604 20 5 DFBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593478746 398641174 /nfs/dbraw/zinc/64/11/74/398641174.db2.gz GHEZAPBEFZPFBJ-ZDUSSCGKSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(C)C[N@@H+](C)CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000593479339 398641425 /nfs/dbraw/zinc/64/14/25/398641425.db2.gz BAVNUYZVLNICTD-UHFFFAOYSA-N 1 1 323.422 2.989 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000177893882 186200345 /nfs/dbraw/zinc/20/03/45/186200345.db2.gz USXBKUXMPMUUFF-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459713298 299170550 /nfs/dbraw/zinc/17/05/50/299170550.db2.gz KTUYAFIUICIVMX-WFASDCNBSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459713298 299170552 /nfs/dbraw/zinc/17/05/52/299170552.db2.gz KTUYAFIUICIVMX-WFASDCNBSA-N 1 1 306.337 2.735 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000072871144 398643729 /nfs/dbraw/zinc/64/37/29/398643729.db2.gz OTBMSBCAZZPLGW-TXEJJXNPSA-N 1 1 305.378 2.820 20 5 DFBDMO C[C@@H]1C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000072871460 398643950 /nfs/dbraw/zinc/64/39/50/398643950.db2.gz DOXSPCUMUYLHPJ-NXEZZACHSA-N 1 1 311.769 2.775 20 5 DFBDMO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000044523761 398646994 /nfs/dbraw/zinc/64/69/94/398646994.db2.gz JDBYZOPOCHUGBF-MNOVXSKESA-N 1 1 311.407 2.649 20 5 DFBDMO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000191829485 186260055 /nfs/dbraw/zinc/26/00/55/186260055.db2.gz FTULDJKZNFYGIE-HUBLWGQQSA-N 1 1 306.362 2.787 20 5 DFBDMO CC(=O)c1ccc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267839885 186372074 /nfs/dbraw/zinc/37/20/74/186372074.db2.gz ANNRMZKNXGBBJN-ZWNOBZJWSA-N 1 1 303.362 2.835 20 5 DFBDMO CCc1nn(C)c(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000094137064 398654490 /nfs/dbraw/zinc/65/44/90/398654490.db2.gz ISKPLVQSAXVNIQ-BETUJISGSA-N 1 1 323.441 2.671 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459733916 299176077 /nfs/dbraw/zinc/17/60/77/299176077.db2.gz VCDMSCOCXSTFAH-GJZGRUSLSA-N 1 1 318.373 2.604 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459733916 299176079 /nfs/dbraw/zinc/17/60/79/299176079.db2.gz VCDMSCOCXSTFAH-GJZGRUSLSA-N 1 1 318.373 2.604 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000280057967 215343859 /nfs/dbraw/zinc/34/38/59/215343859.db2.gz MMTJYLOWMKCCTB-INIZCTEOSA-N 1 1 308.378 2.730 20 5 DFBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171886389 198001125 /nfs/dbraw/zinc/00/11/25/198001125.db2.gz ZDXBZNKQWYGITF-LLVKDONJSA-N 1 1 324.768 2.560 20 5 DFBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000171954957 198013961 /nfs/dbraw/zinc/01/39/61/198013961.db2.gz QKNCLDBVHAGALD-GFCCVEGCSA-N 1 1 323.393 2.940 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000459739560 299178440 /nfs/dbraw/zinc/17/84/40/299178440.db2.gz KSLJUPAACCPLFX-UHFFFAOYSA-N 1 1 321.377 2.662 20 5 DFBDMO Cn1cc([C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)cn1 ZINC000172180969 198053325 /nfs/dbraw/zinc/05/33/25/198053325.db2.gz NPQFZQBWFYZWES-NSHDSACASA-N 1 1 320.780 2.971 20 5 DFBDMO Cc1ccc(NCCCNC(=O)c2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC000172400161 198091810 /nfs/dbraw/zinc/09/18/10/198091810.db2.gz BJTFONVEIIASOK-UHFFFAOYSA-N 1 1 314.345 2.530 20 5 DFBDMO Cc1ccc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)nc1 ZINC000590754718 398667210 /nfs/dbraw/zinc/66/72/10/398667210.db2.gz PVTVYTZSPYQVCM-UHFFFAOYSA-N 1 1 301.346 2.809 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000597603532 398667790 /nfs/dbraw/zinc/66/77/90/398667790.db2.gz DHBFQPNYCHUGDC-HIFRSBDPSA-N 1 1 319.405 2.641 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC000277193797 213357124 /nfs/dbraw/zinc/35/71/24/213357124.db2.gz OWLZIOAOXFXLAG-UHFFFAOYSA-N 1 1 317.393 2.974 20 5 DFBDMO Cc1sc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597716152 398685256 /nfs/dbraw/zinc/68/52/56/398685256.db2.gz ONRJYLXIWWKRCH-OAHLLOKOSA-N 1 1 323.418 2.523 20 5 DFBDMO CCC(CC)[C@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000073666964 398693107 /nfs/dbraw/zinc/69/31/07/398693107.db2.gz VRIQZYZYGZATDK-HNNXBMFYSA-N 1 1 322.409 2.539 20 5 DFBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859672 398705688 /nfs/dbraw/zinc/70/56/88/398705688.db2.gz XMMVMGVPRUFKDG-LBPRGKRZSA-N 1 1 305.378 2.506 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000597861392 398705826 /nfs/dbraw/zinc/70/58/26/398705826.db2.gz TVWUECIPDYWZGF-LLVKDONJSA-N 1 1 323.368 2.584 20 5 DFBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000174883209 198396899 /nfs/dbraw/zinc/39/68/99/198396899.db2.gz LOSHMOLSFDZPGI-UONOGXRCSA-N 1 1 309.797 2.917 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c(F)c1 ZINC000590970337 398710764 /nfs/dbraw/zinc/71/07/64/398710764.db2.gz UEGZBQPIRMQHRS-ZFWWWQNUSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c(F)c1 ZINC000590970337 398710769 /nfs/dbraw/zinc/71/07/69/398710769.db2.gz UEGZBQPIRMQHRS-ZFWWWQNUSA-N 1 1 306.337 2.735 20 5 DFBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108494598 398711138 /nfs/dbraw/zinc/71/11/38/398711138.db2.gz QIXJVUHYKIBCKV-AWEZNQCLSA-N 1 1 318.377 2.509 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCCC[C@H]2CO)cc1 ZINC000594015025 398721683 /nfs/dbraw/zinc/72/16/83/398721683.db2.gz SREJSRFKBOTJKN-HNNXBMFYSA-N 1 1 308.378 2.601 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597923741 398721832 /nfs/dbraw/zinc/72/18/32/398721832.db2.gz OYWLOZINAGFGSD-LBPRGKRZSA-N 1 1 305.378 2.506 20 5 DFBDMO CCOC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000594048947 398732094 /nfs/dbraw/zinc/73/20/94/398732094.db2.gz MUDZYISLPNFYCY-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000591194751 398738229 /nfs/dbraw/zinc/73/82/29/398738229.db2.gz RELYYOMAYNKWOG-AWEZNQCLSA-N 1 1 312.373 2.701 20 5 DFBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000047346009 398745242 /nfs/dbraw/zinc/74/52/42/398745242.db2.gz GDZSDTSUYARHJV-UHFFFAOYSA-N 1 1 317.349 2.620 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000077319010 191691179 /nfs/dbraw/zinc/69/11/79/191691179.db2.gz QNPPLXJQZUHAHK-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000077319010 191691182 /nfs/dbraw/zinc/69/11/82/191691182.db2.gz QNPPLXJQZUHAHK-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cc(N(C)CC[N@@H+](C)C2CCCCC2)ncc1[N+](=O)[O-] ZINC000074742972 398763390 /nfs/dbraw/zinc/76/33/90/398763390.db2.gz UOADKBBBYBIBHC-UHFFFAOYSA-N 1 1 306.410 2.999 20 5 DFBDMO Cc1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000594203897 398765630 /nfs/dbraw/zinc/76/56/30/398765630.db2.gz VIWAJNDHEAQGRD-HOTGVXAUSA-N 1 1 317.389 2.650 20 5 DFBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000081291000 192245146 /nfs/dbraw/zinc/24/51/46/192245146.db2.gz BFZYPCKVNJWQCO-LBPRGKRZSA-N 1 1 323.418 2.651 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000081363677 192256905 /nfs/dbraw/zinc/25/69/05/192256905.db2.gz YJYIFALCHYYBPJ-LBPRGKRZSA-N 1 1 323.368 2.538 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000598221937 398774107 /nfs/dbraw/zinc/77/41/07/398774107.db2.gz ZCGZKSZRQLYLLG-CYBMUJFWSA-N 1 1 317.389 2.732 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@]2(CC)CO)ccc1[N+](=O)[O-] ZINC000276919024 213175283 /nfs/dbraw/zinc/17/52/83/213175283.db2.gz OQRBZVBOLAAPLG-MRXNPFEDSA-N 1 1 308.378 2.730 20 5 DFBDMO CCOc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902516 213164429 /nfs/dbraw/zinc/16/44/29/213164429.db2.gz MAGTUFKWVAETPQ-HIFRSBDPSA-N 1 1 321.421 2.908 20 5 DFBDMO CCOc1cc(C[N@@H+](C)CCCn2ccnc2)ccc1[N+](=O)[O-] ZINC000276878528 213150787 /nfs/dbraw/zinc/15/07/87/213150787.db2.gz ILWRLLBJUISEAG-UHFFFAOYSA-N 1 1 318.377 2.712 20 5 DFBDMO CCOc1cc(C[N@H+]2[C@H](C)CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000276826550 213117105 /nfs/dbraw/zinc/11/71/05/213117105.db2.gz ALMFVLJRGDJDRT-OCCSQVGLSA-N 1 1 308.378 2.729 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC(=O)OC(C)(C)C ZINC000150951879 283271995 /nfs/dbraw/zinc/27/19/95/283271995.db2.gz UMELXUQCHBMQQM-UHFFFAOYSA-N 1 1 324.377 2.637 20 5 DFBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000051058603 398815960 /nfs/dbraw/zinc/81/59/60/398815960.db2.gz SQIKGOXDOSOKBE-HNNXBMFYSA-N 1 1 319.405 2.723 20 5 DFBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])c2C1 ZINC000076171057 398845477 /nfs/dbraw/zinc/84/54/77/398845477.db2.gz JUNKORYTAYIEPT-CJNGLKHVSA-N 1 1 317.389 2.652 20 5 DFBDMO Cc1cccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000052842936 398852312 /nfs/dbraw/zinc/85/23/12/398852312.db2.gz DRFMRRRBRICKFV-AWEZNQCLSA-N 1 1 319.405 2.898 20 5 DFBDMO Cc1ccc(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000076329570 398852027 /nfs/dbraw/zinc/85/20/27/398852027.db2.gz VPENWPQYKUJUPF-CQSZACIVSA-N 1 1 318.377 2.605 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC1CC1 ZINC000053183759 398864636 /nfs/dbraw/zinc/86/46/36/398864636.db2.gz CISTULZCALTYFO-SECBINFHSA-N 1 1 311.769 2.917 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000053361022 398869574 /nfs/dbraw/zinc/86/95/74/398869574.db2.gz FDWJDAYQIHOLGL-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO CCOC(=O)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153276336 283360324 /nfs/dbraw/zinc/36/03/24/283360324.db2.gz JXTRCIRBCLKVHX-UHFFFAOYSA-N 1 1 306.362 2.903 20 5 DFBDMO COc1ccc(C[NH2+][C@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000594978988 398885575 /nfs/dbraw/zinc/88/55/75/398885575.db2.gz FMMTXCAYAJXQJO-CQSZACIVSA-N 1 1 321.421 2.813 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000595009215 398891293 /nfs/dbraw/zinc/89/12/93/398891293.db2.gz FQAIAHWVMUBXQP-ZIAGYGMSSA-N 1 1 321.421 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCC[C@@H](C)C1 ZINC000595009215 398891295 /nfs/dbraw/zinc/89/12/95/398891295.db2.gz FQAIAHWVMUBXQP-ZIAGYGMSSA-N 1 1 321.421 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000595013977 398891450 /nfs/dbraw/zinc/89/14/50/398891450.db2.gz SYIABSNYBXUJDM-OLZOCXBDSA-N 1 1 307.394 2.596 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000595013977 398891453 /nfs/dbraw/zinc/89/14/53/398891453.db2.gz SYIABSNYBXUJDM-OLZOCXBDSA-N 1 1 307.394 2.596 20 5 DFBDMO CCCC[N@@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014462 398891492 /nfs/dbraw/zinc/89/14/92/398891492.db2.gz AJSZJYNMRWRNNO-CYBMUJFWSA-N 1 1 309.410 2.986 20 5 DFBDMO CCn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000595018456 398892685 /nfs/dbraw/zinc/89/26/85/398892685.db2.gz AUEJPHMJYUEJTO-NSHDSACASA-N 1 1 304.350 2.671 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000595024981 398893873 /nfs/dbraw/zinc/89/38/73/398893873.db2.gz IQRHGFWLABZZBJ-AGIUHOORSA-N 1 1 307.394 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000595024981 398893876 /nfs/dbraw/zinc/89/38/76/398893876.db2.gz IQRHGFWLABZZBJ-AGIUHOORSA-N 1 1 307.394 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000595029878 398895321 /nfs/dbraw/zinc/89/53/21/398895321.db2.gz ZZDHNVOHVYITPP-WDEREUQCSA-N 1 1 304.350 2.749 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186796076 200012108 /nfs/dbraw/zinc/01/21/08/200012108.db2.gz ZYXZIYULXKIIQD-UHFFFAOYSA-N 1 1 319.405 2.686 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470182870 299293643 /nfs/dbraw/zinc/29/36/43/299293643.db2.gz OCPHWEHCRUBRIM-HOFZKYPUSA-N 1 1 318.373 2.883 20 5 DFBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000146254285 398909539 /nfs/dbraw/zinc/90/95/39/398909539.db2.gz PYRJFAPZVWVOIW-SECBINFHSA-N 1 1 324.768 2.606 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@@H]1C ZINC000054778207 398909119 /nfs/dbraw/zinc/90/91/19/398909119.db2.gz UVXXEAMCQPVVIA-RYUDHWBXSA-N 1 1 323.368 2.727 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187935575 200179337 /nfs/dbraw/zinc/17/93/37/200179337.db2.gz WHJYGMZQDTYWOW-BLLLJJGKSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000187957353 200183169 /nfs/dbraw/zinc/18/31/69/200183169.db2.gz HPWDTYZYXIJPHG-GFCCVEGCSA-N 1 1 321.377 2.664 20 5 DFBDMO CCC(F)(F)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599068097 398916331 /nfs/dbraw/zinc/91/63/31/398916331.db2.gz CLBIDKYKYPINAX-JTQLQIEISA-N 1 1 315.320 2.947 20 5 DFBDMO CCCC(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595291776 398916890 /nfs/dbraw/zinc/91/68/90/398916890.db2.gz UBVOKEKVGDDBAF-UHFFFAOYSA-N 1 1 323.368 2.615 20 5 DFBDMO CC(C)[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000599078772 398918282 /nfs/dbraw/zinc/91/82/82/398918282.db2.gz KNDRYHHHPVWZAV-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000595326304 398922457 /nfs/dbraw/zinc/92/24/57/398922457.db2.gz BBAODBINDCRIBR-DFBGVHRSSA-N 1 1 323.393 2.917 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000595344432 398925099 /nfs/dbraw/zinc/92/50/99/398925099.db2.gz DZOMXEPQMYCWOB-CJNGLKHVSA-N 1 1 308.353 2.861 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000595387911 398930689 /nfs/dbraw/zinc/93/06/89/398930689.db2.gz FAUNKQYXFIRCMZ-JSGCOSHPSA-N 1 1 308.353 2.982 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595384231 398930116 /nfs/dbraw/zinc/93/01/16/398930116.db2.gz UUNFTBNUSIIWHU-CQSZACIVSA-N 1 1 316.361 2.968 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595384231 398930118 /nfs/dbraw/zinc/93/01/18/398930118.db2.gz UUNFTBNUSIIWHU-CQSZACIVSA-N 1 1 316.361 2.968 20 5 DFBDMO O=[N+]([O-])c1c(NC[C@H]2CC[N@H+]2C2CCCC2)nc2sccn21 ZINC000599163144 398931587 /nfs/dbraw/zinc/93/15/87/398931587.db2.gz CAFFGCMEEFHNQF-LLVKDONJSA-N 1 1 321.406 2.733 20 5 DFBDMO Cc1noc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595433295 398937469 /nfs/dbraw/zinc/93/74/69/398937469.db2.gz YESPJYYPYVQPRN-ZDUSSCGKSA-N 1 1 317.345 2.792 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595433295 398937470 /nfs/dbraw/zinc/93/74/70/398937470.db2.gz YESPJYYPYVQPRN-ZDUSSCGKSA-N 1 1 317.345 2.792 20 5 DFBDMO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595444585 398939652 /nfs/dbraw/zinc/93/96/52/398939652.db2.gz BPYOXEOMAFLTCZ-LBPRGKRZSA-N 1 1 310.350 2.927 20 5 DFBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000595465753 398944672 /nfs/dbraw/zinc/94/46/72/398944672.db2.gz FUQFIGVMTKUOSP-BFHYXJOUSA-N 1 1 323.393 2.797 20 5 DFBDMO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000595491547 398949242 /nfs/dbraw/zinc/94/92/42/398949242.db2.gz QTFBSWAXGJHEJD-AWEZNQCLSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000595491547 398949245 /nfs/dbraw/zinc/94/92/45/398949245.db2.gz QTFBSWAXGJHEJD-AWEZNQCLSA-N 1 1 304.325 2.686 20 5 DFBDMO C[C@]1(CCCO)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000272018046 209387987 /nfs/dbraw/zinc/38/79/87/209387987.db2.gz LZHUGYFVPMSTIR-MRXNPFEDSA-N 1 1 308.378 2.601 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000595503861 398952476 /nfs/dbraw/zinc/95/24/76/398952476.db2.gz XIKYAGODEOFRAW-LBPRGKRZSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000595503861 398952479 /nfs/dbraw/zinc/95/24/79/398952479.db2.gz XIKYAGODEOFRAW-LBPRGKRZSA-N 1 1 302.334 2.666 20 5 DFBDMO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000595506697 398953455 /nfs/dbraw/zinc/95/34/55/398953455.db2.gz GJOHCAJGWJOQDZ-GFCCVEGCSA-N 1 1 307.369 2.650 20 5 DFBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000078529626 398963919 /nfs/dbraw/zinc/96/39/19/398963919.db2.gz LTUCECYJGOTXDH-FMKPAKJESA-N 1 1 322.405 2.845 20 5 DFBDMO C[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292696170 223206249 /nfs/dbraw/zinc/20/62/49/223206249.db2.gz CXEBAPVABHZNGG-LBPRGKRZSA-N 1 1 304.268 2.570 20 5 DFBDMO C[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292696170 223206252 /nfs/dbraw/zinc/20/62/52/223206252.db2.gz CXEBAPVABHZNGG-LBPRGKRZSA-N 1 1 304.268 2.570 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ncccc3Cl)CC2)n1 ZINC000599387450 398969478 /nfs/dbraw/zinc/96/94/78/398969478.db2.gz MGIYINXUHUDFPU-UHFFFAOYSA-N 1 1 321.768 2.677 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000078605747 398973403 /nfs/dbraw/zinc/97/34/03/398973403.db2.gz MBKCDPPHXJZJRH-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000193622266 201089707 /nfs/dbraw/zinc/08/97/07/201089707.db2.gz FVROLXRITCOMPT-GFCCVEGCSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000193622266 201089710 /nfs/dbraw/zinc/08/97/10/201089710.db2.gz FVROLXRITCOMPT-GFCCVEGCSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C1[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595569555 398977746 /nfs/dbraw/zinc/97/77/46/398977746.db2.gz ZLLFDVATHNVYAI-VBNZEHGJSA-N 1 1 315.373 2.575 20 5 DFBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000600229566 399013867 /nfs/dbraw/zinc/01/38/67/399013867.db2.gz VXDPKBGEPQWPAO-LBPRGKRZSA-N 1 1 323.418 2.793 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC2(CCCC2)CC1 ZINC000595641454 399016098 /nfs/dbraw/zinc/01/60/98/399016098.db2.gz MPOCWZMOIYZCQR-UHFFFAOYSA-N 1 1 319.405 2.803 20 5 DFBDMO C[C@H]1COC2(CCC2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595675809 399029077 /nfs/dbraw/zinc/02/90/77/399029077.db2.gz QUVFBRCJBJPVFZ-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H]1COC2(CCC2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595675809 399029078 /nfs/dbraw/zinc/02/90/78/399029078.db2.gz QUVFBRCJBJPVFZ-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600312330 399031074 /nfs/dbraw/zinc/03/10/74/399031074.db2.gz FGDOUHPHTYLOTH-KBPBESRZSA-N 1 1 319.405 2.546 20 5 DFBDMO CCc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000600313695 399031479 /nfs/dbraw/zinc/03/14/79/399031479.db2.gz JHXVZMSWOFGVSA-CYBMUJFWSA-N 1 1 319.405 2.619 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632542 399035636 /nfs/dbraw/zinc/03/56/36/399035636.db2.gz YLLXJCZVUPTWML-PSAMWYLNSA-N 1 1 308.403 2.641 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091673035 193089051 /nfs/dbraw/zinc/08/90/51/193089051.db2.gz ZWRAAFGVBNHGDW-NEPJUHHUSA-N 1 1 311.769 2.523 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632539 399035921 /nfs/dbraw/zinc/03/59/21/399035921.db2.gz YLLXJCZVUPTWML-WBSWQSFASA-N 1 1 308.403 2.641 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000599648542 399042898 /nfs/dbraw/zinc/04/28/98/399042898.db2.gz AAPIJKLJZDPKTQ-OAGGEKHMSA-N 1 1 318.373 2.758 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000599655386 399048485 /nfs/dbraw/zinc/04/84/85/399048485.db2.gz VZTFGOKGGHZOTO-IIAWOOMASA-N 1 1 318.373 2.758 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC2(CC2)CC1 ZINC000599673698 399055035 /nfs/dbraw/zinc/05/50/35/399055035.db2.gz WFBWYLKYDFJNKA-CQSZACIVSA-N 1 1 320.389 2.601 20 5 DFBDMO O=C(CC[N@H+]1CCC[C@H](CCF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595754392 399070091 /nfs/dbraw/zinc/07/00/91/399070091.db2.gz ATSARXFRYBDGHE-CYBMUJFWSA-N 1 1 323.368 2.995 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595756354 399071950 /nfs/dbraw/zinc/07/19/50/399071950.db2.gz UFRUSMXJYNEUEL-CYBMUJFWSA-N 1 1 323.368 2.913 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000595756354 399071955 /nfs/dbraw/zinc/07/19/55/399071955.db2.gz UFRUSMXJYNEUEL-CYBMUJFWSA-N 1 1 323.368 2.913 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755702 399072915 /nfs/dbraw/zinc/07/29/15/399072915.db2.gz OQZWMNYIPZDSDE-QWHCGFSZSA-N 1 1 323.368 2.993 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCF)C1 ZINC000595755702 399072918 /nfs/dbraw/zinc/07/29/18/399072918.db2.gz OQZWMNYIPZDSDE-QWHCGFSZSA-N 1 1 323.368 2.993 20 5 DFBDMO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092104160 193159033 /nfs/dbraw/zinc/15/90/33/193159033.db2.gz KGMNLCAKCBRUCB-UHFFFAOYSA-N 1 1 321.421 2.922 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC23CCOCC3)ccc1[N+](=O)[O-] ZINC000618318331 399081561 /nfs/dbraw/zinc/08/15/61/399081561.db2.gz RNZCDMYSTHEYAB-UHFFFAOYSA-N 1 1 306.362 2.748 20 5 DFBDMO CCC(=O)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092186886 193172418 /nfs/dbraw/zinc/17/24/18/193172418.db2.gz VYOAXGDOJORTDF-VMPITWQZSA-N 1 1 317.389 2.552 20 5 DFBDMO CCC(=O)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092186886 193172420 /nfs/dbraw/zinc/17/24/20/193172420.db2.gz VYOAXGDOJORTDF-VMPITWQZSA-N 1 1 317.389 2.552 20 5 DFBDMO C[N@@H+](CCCNc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000058733236 399093098 /nfs/dbraw/zinc/09/30/98/399093098.db2.gz BSVAMAWZFLTQIA-UHFFFAOYSA-N 1 1 300.362 2.924 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058841518 399096964 /nfs/dbraw/zinc/09/69/64/399096964.db2.gz RZYFSCHYYKUFME-UHFFFAOYSA-N 1 1 318.377 2.536 20 5 DFBDMO COc1cc(C[NH+]2CCC3(CCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000595819159 399097964 /nfs/dbraw/zinc/09/79/64/399097964.db2.gz SQAVRVDDGUICKO-UHFFFAOYSA-N 1 1 318.373 2.939 20 5 DFBDMO O=C(Cn1cc[nH+]c1C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600614315 399099577 /nfs/dbraw/zinc/09/95/77/399099577.db2.gz RWFUSGJDRQYBSK-UHFFFAOYSA-N 1 1 320.736 2.961 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(COC2)C1 ZINC000595833476 399105238 /nfs/dbraw/zinc/10/52/38/399105238.db2.gz KJTFZYBBZLUPFV-UHFFFAOYSA-N 1 1 306.362 2.604 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(COC2)C1 ZINC000595833476 399105241 /nfs/dbraw/zinc/10/52/41/399105241.db2.gz KJTFZYBBZLUPFV-UHFFFAOYSA-N 1 1 306.362 2.604 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419339346 296135966 /nfs/dbraw/zinc/13/59/66/296135966.db2.gz UQCWQSNJKRXCCO-GJZGRUSLSA-N 1 1 321.421 2.903 20 5 DFBDMO C[C@H]1[C@@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000419370471 296137069 /nfs/dbraw/zinc/13/70/69/296137069.db2.gz JPLFIUTYXQQIOR-JHJVBQTASA-N 1 1 305.378 2.900 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419376462 296137665 /nfs/dbraw/zinc/13/76/65/296137665.db2.gz TUKRYZJTNHUHIN-XQQFMLRXSA-N 1 1 305.378 2.818 20 5 DFBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000419375467 296137744 /nfs/dbraw/zinc/13/77/44/296137744.db2.gz RNFLXUDVJXLQJT-OQMKEHIESA-N 1 1 317.389 2.676 20 5 DFBDMO CC(C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595849201 399111939 /nfs/dbraw/zinc/11/19/39/399111939.db2.gz DWSRUBUPEYSROP-UONOGXRCSA-N 1 1 319.405 2.892 20 5 DFBDMO COCCCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000419390424 296139181 /nfs/dbraw/zinc/13/91/81/296139181.db2.gz QDBBMYHTOOHYCW-UHFFFAOYSA-N 1 1 323.393 2.590 20 5 DFBDMO Cc1cccnc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093157956 193209906 /nfs/dbraw/zinc/20/99/06/193209906.db2.gz FYHNICAOJFRQKQ-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cccc1[N+](=O)[O-] ZINC000595852277 399113596 /nfs/dbraw/zinc/11/35/96/399113596.db2.gz ZJXVBCYHHOCTTB-OAHLLOKOSA-N 1 1 319.405 2.640 20 5 DFBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000600683693 399116849 /nfs/dbraw/zinc/11/68/49/399116849.db2.gz QWGCKQLUFUBOHQ-NSHDSACASA-N 1 1 324.356 2.587 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1[N+](=O)[O-] ZINC000093455359 193254414 /nfs/dbraw/zinc/25/44/14/193254414.db2.gz VEPOMRGSEDPIPV-SFHVURJKSA-N 1 1 312.369 2.995 20 5 DFBDMO Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1[N+](=O)[O-] ZINC000093455359 193254415 /nfs/dbraw/zinc/25/44/15/193254415.db2.gz VEPOMRGSEDPIPV-SFHVURJKSA-N 1 1 312.369 2.995 20 5 DFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1=CCSC1 ZINC000595887967 399124489 /nfs/dbraw/zinc/12/44/89/399124489.db2.gz JQMGYIVRLWHHCN-UHFFFAOYSA-N 1 1 305.359 2.841 20 5 DFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1=CCSC1 ZINC000595887967 399124487 /nfs/dbraw/zinc/12/44/87/399124487.db2.gz JQMGYIVRLWHHCN-UHFFFAOYSA-N 1 1 305.359 2.841 20 5 DFBDMO CC[N@@H+](CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000094105965 193345326 /nfs/dbraw/zinc/34/53/26/193345326.db2.gz ZSZXHTUGWXBHEW-UHFFFAOYSA-N 1 1 319.405 2.734 20 5 DFBDMO [NH3+][C@@H]1CCc2ccccc2N(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595901895 399129265 /nfs/dbraw/zinc/12/92/65/399129265.db2.gz CCRLIHGJDCTXPW-CQSZACIVSA-N 1 1 313.357 2.581 20 5 DFBDMO CC12CC(C1)C[N@@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595916366 399135003 /nfs/dbraw/zinc/13/50/03/399135003.db2.gz QWCOGEFAEAOBHW-UHFFFAOYSA-N 1 1 300.318 2.629 20 5 DFBDMO CC12CC(C1)C[N@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595916366 399135006 /nfs/dbraw/zinc/13/50/06/399135006.db2.gz QWCOGEFAEAOBHW-UHFFFAOYSA-N 1 1 300.318 2.629 20 5 DFBDMO C[C@@]1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCS1 ZINC000600114774 399140529 /nfs/dbraw/zinc/14/05/29/399140529.db2.gz AXTIEQODGWYLTK-DOMZBBRYSA-N 1 1 322.434 2.762 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264654644 204057385 /nfs/dbraw/zinc/05/73/85/204057385.db2.gz QFHMADIIIGOCEK-VXGBXAGGSA-N 1 1 323.780 2.605 20 5 DFBDMO O=[N+]([O-])c1cccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596058932 399157684 /nfs/dbraw/zinc/15/76/84/399157684.db2.gz LWBPIFYZUMADEV-INIZCTEOSA-N 1 1 303.406 2.806 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000341853415 284281026 /nfs/dbraw/zinc/28/10/26/284281026.db2.gz NMWHKZAZNHFNBY-UHFFFAOYSA-N 1 1 306.753 2.761 20 5 DFBDMO COCCSCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282504946 217046488 /nfs/dbraw/zinc/04/64/88/217046488.db2.gz RFGBUEHLSBHLRG-UHFFFAOYSA-N 1 1 312.435 2.839 20 5 DFBDMO CCCC[N@H+]1CCCC[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596098767 399173234 /nfs/dbraw/zinc/17/32/34/399173234.db2.gz MRHKWXNHPIWCSY-LBPRGKRZSA-N 1 1 308.382 2.762 20 5 DFBDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000080747749 399174850 /nfs/dbraw/zinc/17/48/50/399174850.db2.gz AVMFLNOLOOQNBI-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCCC[C@H]1CCO ZINC000342061130 284318470 /nfs/dbraw/zinc/31/84/70/284318470.db2.gz HVVBPKUNCVWYAN-AWEZNQCLSA-N 1 1 308.378 2.601 20 5 DFBDMO CC[C@@H]1CN(c2cc(C)sc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000596116149 399179258 /nfs/dbraw/zinc/17/92/58/399179258.db2.gz YFKVJCHGRHBJHS-GFCCVEGCSA-N 1 1 313.423 2.512 20 5 DFBDMO CC[C@@H]1CN(c2cc(C)sc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000596116149 399179260 /nfs/dbraw/zinc/17/92/60/399179260.db2.gz YFKVJCHGRHBJHS-GFCCVEGCSA-N 1 1 313.423 2.512 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271704154 209140915 /nfs/dbraw/zinc/14/09/15/209140915.db2.gz HXRHCAMMPMIRHW-STQMWFEESA-N 1 1 305.378 2.504 20 5 DFBDMO C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271705435 209140670 /nfs/dbraw/zinc/14/06/70/209140670.db2.gz IBXWEHYCTOYGPZ-ZDUSSCGKSA-N 1 1 319.405 2.942 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000266062577 205068672 /nfs/dbraw/zinc/06/86/72/205068672.db2.gz AWLWDYZTMPCPEE-GFCCVEGCSA-N 1 1 323.368 2.680 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596139893 399188249 /nfs/dbraw/zinc/18/82/49/399188249.db2.gz XAWCOQMHTNKVEQ-NSHDSACASA-N 1 1 312.801 2.954 20 5 DFBDMO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000600997273 399198692 /nfs/dbraw/zinc/19/86/92/399198692.db2.gz UXIFYAKTHNPIBO-VXGBXAGGSA-N 1 1 323.368 2.727 20 5 DFBDMO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000600997270 399198894 /nfs/dbraw/zinc/19/88/94/399198894.db2.gz UXIFYAKTHNPIBO-NEPJUHHUSA-N 1 1 323.368 2.727 20 5 DFBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420630788 296194031 /nfs/dbraw/zinc/19/40/31/296194031.db2.gz FRNRFBDPWGEJTB-VIFPVBQESA-N 1 1 318.299 2.539 20 5 DFBDMO CN(C[C@H]1CCC[N@H+]1C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000420640195 296195117 /nfs/dbraw/zinc/19/51/17/296195117.db2.gz SNVRYVITOBHZOH-CQSZACIVSA-N 1 1 300.362 2.673 20 5 DFBDMO Cc1cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000063724326 399205003 /nfs/dbraw/zinc/20/50/03/399205003.db2.gz NPHLVPNAVPDGRL-UHFFFAOYSA-N 1 1 319.405 2.850 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000288494103 220179147 /nfs/dbraw/zinc/17/91/47/220179147.db2.gz RRPHVWHXPDDJDB-CQSZACIVSA-N 1 1 305.378 2.718 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](CCO)C3)c2c1 ZINC000601113018 399231117 /nfs/dbraw/zinc/23/11/17/399231117.db2.gz AXAWDPFWAUPGEQ-LBPRGKRZSA-N 1 1 301.346 2.742 20 5 DFBDMO C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000601135797 399237877 /nfs/dbraw/zinc/23/78/77/399237877.db2.gz INJHPBAYMRMNTR-ZSBIGDGJSA-N 1 1 301.346 2.933 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456464 206080919 /nfs/dbraw/zinc/08/09/19/206080919.db2.gz PMJJENGUOUJHBW-LRDDRELGSA-N 1 1 309.385 2.896 20 5 DFBDMO C[C@@H](O)[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601132824 399237121 /nfs/dbraw/zinc/23/71/21/399237121.db2.gz OLEQFCWKFUAKDL-VXGBXAGGSA-N 1 1 301.346 2.740 20 5 DFBDMO COc1ccccc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149874 399241822 /nfs/dbraw/zinc/24/18/22/399241822.db2.gz RBHYESZMIMTRMT-QGZVFWFLSA-N 1 1 316.357 2.601 20 5 DFBDMO C[C@@H]1[C@H](CO)CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601175429 399248613 /nfs/dbraw/zinc/24/86/13/399248613.db2.gz ODSXKNUMRJMESQ-NEPJUHHUSA-N 1 1 301.346 2.740 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC[C@@H]3CCCOC3)c2c1 ZINC000601201815 399254037 /nfs/dbraw/zinc/25/40/37/399254037.db2.gz UVZTWSNHQHKTOK-LBPRGKRZSA-N 1 1 301.346 2.794 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCc2nccn2C1 ZINC000614772372 399266760 /nfs/dbraw/zinc/26/67/60/399266760.db2.gz XHVAGOVXPQQKPZ-LBPRGKRZSA-N 1 1 318.352 2.625 20 5 DFBDMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609258525 399310422 /nfs/dbraw/zinc/31/04/22/399310422.db2.gz COZKKHIPNNUMRL-OAHLLOKOSA-N 1 1 314.345 2.577 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000609257953 399310783 /nfs/dbraw/zinc/31/07/83/399310783.db2.gz AJIRBMFRBWKWRX-LBPRGKRZSA-N 1 1 301.350 2.590 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609278987 399311657 /nfs/dbraw/zinc/31/16/57/399311657.db2.gz WKHPSPCXRGRZRL-HZPDHXFCSA-N 1 1 307.369 2.793 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000609449109 399318794 /nfs/dbraw/zinc/31/87/94/399318794.db2.gz ZSGDPGZXMUWSEY-AWEZNQCLSA-N 1 1 321.425 2.785 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000421902053 296279973 /nfs/dbraw/zinc/27/99/73/296279973.db2.gz SVXJKFOGDPTGQU-UHFFFAOYSA-N 1 1 319.405 2.816 20 5 DFBDMO CC(C)(C)c1ncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000284525234 218063682 /nfs/dbraw/zinc/06/36/82/218063682.db2.gz ZMKZBIQXBAKTJO-UHFFFAOYSA-N 1 1 300.362 2.972 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284695801 218137205 /nfs/dbraw/zinc/13/72/05/218137205.db2.gz IFDGOBLYLTWMBP-DZGCQCFKSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000284869887 218214921 /nfs/dbraw/zinc/21/49/21/218214921.db2.gz SLRLUSZLPMXLNA-JKSUJKDBSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284884004 218221142 /nfs/dbraw/zinc/22/11/42/218221142.db2.gz TVKCOQKYTNQGJF-WCQYABFASA-N 1 1 323.349 2.628 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883596 194156689 /nfs/dbraw/zinc/15/66/89/194156689.db2.gz IEZNIBKTKMOKHA-KBPBESRZSA-N 1 1 315.377 2.660 20 5 DFBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1F ZINC000610485008 399372537 /nfs/dbraw/zinc/37/25/37/399372537.db2.gz KPNPDCPTNYSYSX-UHFFFAOYSA-N 1 1 306.341 2.843 20 5 DFBDMO CC1(C)C[NH2+]CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000601970451 399371512 /nfs/dbraw/zinc/37/15/12/399371512.db2.gz IRJYCQROSJESAS-ZQMJAJRESA-N 1 1 303.406 2.976 20 5 DFBDMO CCOCC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000106117077 194188366 /nfs/dbraw/zinc/18/83/66/194188366.db2.gz BLMWDIRDXQRONR-MRXNPFEDSA-N 1 1 321.421 2.528 20 5 DFBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106501875 194219696 /nfs/dbraw/zinc/21/96/96/194219696.db2.gz QJPQAWWCOOVWGW-CYBMUJFWSA-N 1 1 318.377 2.733 20 5 DFBDMO C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000602023565 399386869 /nfs/dbraw/zinc/38/68/69/399386869.db2.gz XTVCEDMZLUOBFN-JSGCOSHPSA-N 1 1 315.373 2.881 20 5 DFBDMO Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602025823 399386906 /nfs/dbraw/zinc/38/69/06/399386906.db2.gz HVINICWJHSNGRJ-CQSZACIVSA-N 1 1 303.362 2.859 20 5 DFBDMO Cc1ccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602025823 399386909 /nfs/dbraw/zinc/38/69/09/399386909.db2.gz HVINICWJHSNGRJ-CQSZACIVSA-N 1 1 303.362 2.859 20 5 DFBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000610636288 399387748 /nfs/dbraw/zinc/38/77/48/399387748.db2.gz JWMCQOQEHAWCIM-GXTWGEPZSA-N 1 1 305.378 2.565 20 5 DFBDMO CC[N@@H+]1C[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000610674844 399391327 /nfs/dbraw/zinc/39/13/27/399391327.db2.gz KCNVBWJGAOKYHM-AAEUAGOBSA-N 1 1 320.393 2.673 20 5 DFBDMO C[C@@H]([NH2+]Cc1cn2c(n1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000268855650 207022238 /nfs/dbraw/zinc/02/22/38/207022238.db2.gz QGDPFGRANMKQCL-GFCCVEGCSA-N 1 1 300.362 2.978 20 5 DFBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000619868393 399396555 /nfs/dbraw/zinc/39/65/55/399396555.db2.gz KOOYFKGZUJRXLR-UHFFFAOYSA-N 1 1 317.389 2.543 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000110995463 194378493 /nfs/dbraw/zinc/37/84/93/194378493.db2.gz IHNQRSVNSPRBFX-NSHDSACASA-N 1 1 311.407 2.569 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000610785523 399406326 /nfs/dbraw/zinc/40/63/26/399406326.db2.gz ZTZHFDOBCYAOCV-HOCLYGCPSA-N 1 1 319.405 2.959 20 5 DFBDMO C[C@@H]1C[N@H+](CCCCNc2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000610864661 399413792 /nfs/dbraw/zinc/41/37/92/399413792.db2.gz XAXTVYSLYYNPFV-TXEJJXNPSA-N 1 1 313.423 2.958 20 5 DFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1C ZINC000611084524 399433079 /nfs/dbraw/zinc/43/30/79/399433079.db2.gz CFRQNJAERQISLV-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000611092464 399433466 /nfs/dbraw/zinc/43/34/66/399433466.db2.gz UZSJQROCUKCFNW-CQSZACIVSA-N 1 1 321.421 2.908 20 5 DFBDMO C[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000611182224 399442805 /nfs/dbraw/zinc/44/28/05/399442805.db2.gz RINCGKYCCLGPLB-ZDUSSCGKSA-N 1 1 312.373 2.797 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179695 399442887 /nfs/dbraw/zinc/44/28/87/399442887.db2.gz HTLIFLPCDAMHRN-SNVBAGLBSA-N 1 1 316.304 2.569 20 5 DFBDMO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602436221 399443507 /nfs/dbraw/zinc/44/35/07/399443507.db2.gz XASPDRHDQDGKSG-AWEZNQCLSA-N 1 1 304.325 2.805 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602436221 399443510 /nfs/dbraw/zinc/44/35/10/399443510.db2.gz XASPDRHDQDGKSG-AWEZNQCLSA-N 1 1 304.325 2.805 20 5 DFBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C1CC1)C1CC1 ZINC000611266631 399453618 /nfs/dbraw/zinc/45/36/18/399453618.db2.gz OPLUEYKKVCYSPW-UHFFFAOYSA-N 1 1 318.373 2.986 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000611225391 399448119 /nfs/dbraw/zinc/44/81/19/399448119.db2.gz PHZHJUFPTOTZPH-RYUDHWBXSA-N 1 1 318.377 2.651 20 5 DFBDMO CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611260612 399453246 /nfs/dbraw/zinc/45/32/46/399453246.db2.gz VJYAPUHGCBVIFV-LBPRGKRZSA-N 1 1 306.362 2.988 20 5 DFBDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272287 399455728 /nfs/dbraw/zinc/45/57/28/399455728.db2.gz HCNSKZZIEJGCRG-AAEUAGOBSA-N 1 1 306.362 2.986 20 5 DFBDMO O=[N+]([O-])c1ccsc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000611289760 399458306 /nfs/dbraw/zinc/45/83/06/399458306.db2.gz AZUMRQHATOATGT-UHFFFAOYSA-N 1 1 303.387 2.979 20 5 DFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000611298449 399459430 /nfs/dbraw/zinc/45/94/30/399459430.db2.gz IIBDBPPSHWHMPC-UWVGGRQHSA-N 1 1 315.320 2.725 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501836 399483458 /nfs/dbraw/zinc/48/34/58/399483458.db2.gz ITWJHLGVJYFVKW-SMDDNHRTSA-N 1 1 323.368 2.912 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCN1CCCC1 ZINC000602585255 399483900 /nfs/dbraw/zinc/48/39/00/399483900.db2.gz FHQYYDRDHBUTFZ-UHFFFAOYSA-N 1 1 317.311 2.799 20 5 DFBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC=CCC1 ZINC000611517590 399486499 /nfs/dbraw/zinc/48/64/99/399486499.db2.gz ULIIXQIIXVFXFO-NSHDSACASA-N 1 1 300.318 2.968 20 5 DFBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC=CCC1 ZINC000611517590 399486502 /nfs/dbraw/zinc/48/65/02/399486502.db2.gz ULIIXQIIXVFXFO-NSHDSACASA-N 1 1 300.318 2.968 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1O ZINC000602623807 399494080 /nfs/dbraw/zinc/49/40/80/399494080.db2.gz QWZYBJQLVFDGDN-TVQRCGJNSA-N 1 1 318.295 2.816 20 5 DFBDMO CC1(C)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000602644429 399500951 /nfs/dbraw/zinc/50/09/51/399500951.db2.gz QMVDBKGGWLSPFW-LBPRGKRZSA-N 1 1 318.295 2.816 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000611616330 399498945 /nfs/dbraw/zinc/49/89/45/399498945.db2.gz HVXRZDRYDBMZOJ-UHFFFAOYSA-N 1 1 315.377 2.789 20 5 DFBDMO Cc1[nH+]ccn1C[C@H]1CCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000611616605 399499044 /nfs/dbraw/zinc/49/90/44/399499044.db2.gz ABEZTQWKROXYGD-CQSZACIVSA-N 1 1 315.377 2.781 20 5 DFBDMO COc1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000602650513 399502331 /nfs/dbraw/zinc/50/23/31/399502331.db2.gz MXFCCXRNUUJUKP-UHFFFAOYSA-N 1 1 307.375 2.734 20 5 DFBDMO COc1ncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000602650513 399502333 /nfs/dbraw/zinc/50/23/33/399502333.db2.gz MXFCCXRNUUJUKP-UHFFFAOYSA-N 1 1 307.375 2.734 20 5 DFBDMO C[C@@H](CN(C)C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602655047 399503678 /nfs/dbraw/zinc/50/36/78/399503678.db2.gz OCESXKZYRHLQFU-VIFPVBQESA-N 1 1 305.300 2.653 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611708951 399508232 /nfs/dbraw/zinc/50/82/32/399508232.db2.gz OUCRJXXCADOLMW-ABAIWWIYSA-N 1 1 315.377 2.679 20 5 DFBDMO Cn1cc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC000602663074 399508536 /nfs/dbraw/zinc/50/85/36/399508536.db2.gz HYNJGJJGIQNRNN-PHIMTYICSA-N 1 1 320.315 2.881 20 5 DFBDMO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@H+]4CCCC[C@H]34)c21 ZINC000347393938 285029696 /nfs/dbraw/zinc/02/96/96/285029696.db2.gz BCHIHISJQLONEI-DGCLKSJQSA-N 1 1 313.361 2.577 20 5 DFBDMO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c21 ZINC000347393940 285029754 /nfs/dbraw/zinc/02/97/54/285029754.db2.gz BCHIHISJQLONEI-YPMHNXCESA-N 1 1 313.361 2.577 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000119686811 195017364 /nfs/dbraw/zinc/01/73/64/195017364.db2.gz UJLDEBWYDUBKGN-AWEZNQCLSA-N 1 1 319.405 2.611 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602675484 399515863 /nfs/dbraw/zinc/51/58/63/399515863.db2.gz JSDCMBZRFKLAAA-GFCCVEGCSA-N 1 1 320.393 2.946 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602686908 399520964 /nfs/dbraw/zinc/52/09/64/399520964.db2.gz SDCQGFSWOJABKD-ZDUSSCGKSA-N 1 1 318.377 2.651 20 5 DFBDMO CC(C)C[N@@H+](C)CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602700429 399526751 /nfs/dbraw/zinc/52/67/51/399526751.db2.gz SEEIQHZONQKARI-UHFFFAOYSA-N 1 1 320.393 2.804 20 5 DFBDMO CCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](C)C1 ZINC000602699573 399526895 /nfs/dbraw/zinc/52/68/95/399526895.db2.gz IQBYNMHHZGYMEH-ZDUSSCGKSA-N 1 1 318.377 2.652 20 5 DFBDMO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCN(C)C1 ZINC000602699573 399526900 /nfs/dbraw/zinc/52/69/00/399526900.db2.gz IQBYNMHHZGYMEH-ZDUSSCGKSA-N 1 1 318.377 2.652 20 5 DFBDMO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCN(C)C1 ZINC000602699573 399526904 /nfs/dbraw/zinc/52/69/04/399526904.db2.gz IQBYNMHHZGYMEH-ZDUSSCGKSA-N 1 1 318.377 2.652 20 5 DFBDMO C[C@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000602708450 399531046 /nfs/dbraw/zinc/53/10/46/399531046.db2.gz HHFOOVGUBHUHGK-VIFPVBQESA-N 1 1 318.295 2.959 20 5 DFBDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000347610777 285091541 /nfs/dbraw/zinc/09/15/41/285091541.db2.gz ZMKLJXHQZBODIY-ZIAGYGMSSA-N 1 1 321.421 2.903 20 5 DFBDMO CC(C)c1ccc(C[N@@H+]2CCSC[C@H]2CO)cc1[N+](=O)[O-] ZINC000602750516 399555101 /nfs/dbraw/zinc/55/51/01/399555101.db2.gz JLLOADRXAYLYMB-CYBMUJFWSA-N 1 1 310.419 2.628 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CCSC[C@H]2CO)cc1[N+](=O)[O-] ZINC000602750516 399555103 /nfs/dbraw/zinc/55/51/03/399555103.db2.gz JLLOADRXAYLYMB-CYBMUJFWSA-N 1 1 310.419 2.628 20 5 DFBDMO Cc1c(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000272963477 210348282 /nfs/dbraw/zinc/34/82/82/210348282.db2.gz NTXGEOIRXRFSSN-LBPRGKRZSA-N 1 1 318.377 2.675 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](O)C3)o2)c1 ZINC000158774180 197299706 /nfs/dbraw/zinc/29/97/06/197299706.db2.gz XUQRQDRTNVLMIS-CQSZACIVSA-N 1 1 302.330 2.812 20 5 DFBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272947592 210334670 /nfs/dbraw/zinc/33/46/70/210334670.db2.gz MLMZPKNPFFPPHI-SNVBAGLBSA-N 1 1 306.322 2.565 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000120239056 195126088 /nfs/dbraw/zinc/12/60/88/195126088.db2.gz AZKDVQJKLCXCBW-UHFFFAOYSA-N 1 1 319.321 2.534 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000602784126 399571272 /nfs/dbraw/zinc/57/12/72/399571272.db2.gz QAMNTXXAVAZECM-OAHLLOKOSA-N 1 1 317.393 2.665 20 5 DFBDMO Cc1cnc(CC[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000157838040 197219171 /nfs/dbraw/zinc/21/91/71/197219171.db2.gz DLVJDLGRTYGANR-AWEZNQCLSA-N 1 1 321.402 2.568 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOc2ccccc2[C@H]1C ZINC000602788229 399573490 /nfs/dbraw/zinc/57/34/90/399573490.db2.gz NORSSEQUVYSHIH-GFCCVEGCSA-N 1 1 316.361 2.555 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOc2ccccc2[C@H]1C ZINC000602788229 399573493 /nfs/dbraw/zinc/57/34/93/399573493.db2.gz NORSSEQUVYSHIH-GFCCVEGCSA-N 1 1 316.361 2.555 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000602786043 399573776 /nfs/dbraw/zinc/57/37/76/399573776.db2.gz LHDSSKXFPPKXSD-MRXNPFEDSA-N 1 1 304.394 2.922 20 5 DFBDMO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000423193371 296390909 /nfs/dbraw/zinc/39/09/09/296390909.db2.gz XHENKHPOPOBNIC-CQSZACIVSA-N 1 1 314.389 2.820 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120313539 195141326 /nfs/dbraw/zinc/14/13/26/195141326.db2.gz UAEOUNGXGLUPKZ-XHSDSOJGSA-N 1 1 320.389 2.719 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000602806132 399582359 /nfs/dbraw/zinc/58/23/59/399582359.db2.gz LVNWRPVFIAKDHO-MWLCHTKSSA-N 1 1 320.315 2.763 20 5 DFBDMO Cn1cc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])n1 ZINC000602804288 399582906 /nfs/dbraw/zinc/58/29/06/399582906.db2.gz FLZXXHQQTTVAHZ-UHFFFAOYSA-N 1 1 306.753 2.761 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000347785014 285173058 /nfs/dbraw/zinc/17/30/58/285173058.db2.gz MYKOSCOBJYNKLN-HIFRSBDPSA-N 1 1 322.405 2.832 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000602838301 399595997 /nfs/dbraw/zinc/59/59/97/399595997.db2.gz BDNINQZPSPTTCM-MWLCHTKSSA-N 1 1 320.315 2.763 20 5 DFBDMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000155534575 197063816 /nfs/dbraw/zinc/06/38/16/197063816.db2.gz COTXDLMIEYOPBY-TZMCWYRMSA-N 1 1 306.362 2.931 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](n2ccnn2)C1 ZINC000602866734 399609015 /nfs/dbraw/zinc/60/90/15/399609015.db2.gz UFKWOKOKOGLRDD-TZMCWYRMSA-N 1 1 301.350 2.503 20 5 DFBDMO C[NH+](C)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000066046925 542456670 /nfs/dbraw/zinc/45/66/70/542456670.db2.gz JZGUNZCFMYLUKP-INIZCTEOSA-N 1 1 313.357 2.514 20 5 DFBDMO CC(C)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1F ZINC000602881368 399613819 /nfs/dbraw/zinc/61/38/19/399613819.db2.gz DTLGLZVXASQYEC-AWEZNQCLSA-N 1 1 306.341 2.954 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120403387 195159842 /nfs/dbraw/zinc/15/98/42/195159842.db2.gz PHODNSRWYCCXAH-BMFZPTHFSA-N 1 1 320.389 2.849 20 5 DFBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271577439 209027202 /nfs/dbraw/zinc/02/72/02/209027202.db2.gz RNRFAFNLIMMTBY-NFAWXSAZSA-N 1 1 308.378 2.597 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000602903380 399621179 /nfs/dbraw/zinc/62/11/79/399621179.db2.gz ROCFTYQPYUDAHA-UHFFFAOYSA-N 1 1 312.373 2.721 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000602915536 399624560 /nfs/dbraw/zinc/62/45/60/399624560.db2.gz YOWPXLCFTBCVCP-CYBMUJFWSA-N 1 1 316.352 2.903 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000330852183 533219376 /nfs/dbraw/zinc/21/93/76/533219376.db2.gz MERJASYWGHZSJG-LSDHHAIUSA-N 1 1 322.405 2.832 20 5 DFBDMO Cc1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000602918664 399625766 /nfs/dbraw/zinc/62/57/66/399625766.db2.gz WZJGLEQKDZTQLD-DOMZBBRYSA-N 1 1 303.318 2.511 20 5 DFBDMO CSC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000602921012 399627822 /nfs/dbraw/zinc/62/78/22/399627822.db2.gz UDFQTLFBBNGXEI-UHFFFAOYSA-N 1 1 323.418 2.669 20 5 DFBDMO CCOc1cc(CN2CC[N@@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000617214868 399630926 /nfs/dbraw/zinc/63/09/26/399630926.db2.gz GKLYRUPIXYRECA-CYBMUJFWSA-N 1 1 307.394 2.520 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289851770 221269720 /nfs/dbraw/zinc/26/97/20/221269720.db2.gz PSSRZSAXQWGBAO-ZWNOBZJWSA-N 1 1 300.305 2.605 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289927019 221321949 /nfs/dbraw/zinc/32/19/49/221321949.db2.gz OVEQAJXIYGIYAH-CQSZACIVSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289927019 221321951 /nfs/dbraw/zinc/32/19/51/221321951.db2.gz OVEQAJXIYGIYAH-CQSZACIVSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289927015 221322252 /nfs/dbraw/zinc/32/22/52/221322252.db2.gz OVEQAJXIYGIYAH-AWEZNQCLSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289927015 221322253 /nfs/dbraw/zinc/32/22/53/221322253.db2.gz OVEQAJXIYGIYAH-AWEZNQCLSA-N 1 1 306.753 2.892 20 5 DFBDMO Cc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000602961544 399640497 /nfs/dbraw/zinc/64/04/97/399640497.db2.gz BLLBIWOGMATZEU-QGZVFWFLSA-N 1 1 315.373 2.604 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997654 399654385 /nfs/dbraw/zinc/65/43/85/399654385.db2.gz OLGHYFQIDOPGHX-OAGGEKHMSA-N 1 1 320.389 2.729 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC000602997252 399654450 /nfs/dbraw/zinc/65/44/50/399654450.db2.gz GIZLUFQMWQDKSR-ZACQAIPSSA-N 1 1 304.390 2.763 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC000602997262 399654521 /nfs/dbraw/zinc/65/45/21/399654521.db2.gz GQCRKRHBGZNKSK-ZACQAIPSSA-N 1 1 320.389 2.599 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602998174 399656245 /nfs/dbraw/zinc/65/62/45/399656245.db2.gz YMAUOLZLVOCRRT-XFJVYGCCSA-N 1 1 308.353 2.859 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)C[C@H]1C1CC1 ZINC000602974503 399643579 /nfs/dbraw/zinc/64/35/79/399643579.db2.gz PFSLRUFHFPONNQ-HOTGVXAUSA-N 1 1 320.389 2.727 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@](O)(CC)C2)ccc1[N+](=O)[O-] ZINC000602983679 399649553 /nfs/dbraw/zinc/64/95/53/399649553.db2.gz QEZXLGQCTIZNPG-INIZCTEOSA-N 1 1 308.378 2.730 20 5 DFBDMO 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20 5 DFBDMO C[N@@H+](C[C@@H]1CC12CCN(c1ncc([N+](=O)[O-])s1)CC2)C1CC1 ZINC000374423889 150364918 /nfs/dbraw/zinc/36/49/18/150364918.db2.gz OIFJUEJOROOKCI-NSHDSACASA-N 1 1 322.434 2.752 20 5 DFBDMO CC[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000374444214 150368718 /nfs/dbraw/zinc/36/87/18/150368718.db2.gz PVMOVODECZJGQW-HIFRSBDPSA-N 1 1 300.362 2.916 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000375034775 150388551 /nfs/dbraw/zinc/38/85/51/150388551.db2.gz DHTZPXYMBLVDGP-SWLSCSKDSA-N 1 1 309.797 2.774 20 5 DFBDMO COc1cc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000351937295 286250254 /nfs/dbraw/zinc/25/02/54/286250254.db2.gz POIJOIDTNSVCDN-UKRRQHHQSA-N 1 1 319.405 2.662 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c(F)c1 ZINC000352414354 286367429 /nfs/dbraw/zinc/36/74/29/286367429.db2.gz UBAGDTPZHNPSBC-SNVBAGLBSA-N 1 1 320.295 2.836 20 5 DFBDMO Cc1ccc(NC(=O)c2c[nH+]ccc2N(C)C)cc1[N+](=O)[O-] ZINC000183458471 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UQBDYVDFXDCSRH-MRXNPFEDSA-N 1 1 317.389 2.822 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000355207601 158298718 /nfs/dbraw/zinc/29/87/18/158298718.db2.gz OMCOFPXRYZVNHF-GJZGRUSLSA-N 1 1 320.389 2.852 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000357034660 158352750 /nfs/dbraw/zinc/35/27/50/158352750.db2.gz IQNBNROYKAWPMU-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000430211735 296777777 /nfs/dbraw/zinc/77/77/77/296777777.db2.gz YIJOUTHMKIRELG-OAHLLOKOSA-N 1 1 320.320 2.566 20 5 DFBDMO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373809113 287210857 /nfs/dbraw/zinc/21/08/57/287210857.db2.gz DRNDXQUDQRWWDM-KBRIMQKVSA-N 1 1 320.389 2.926 20 5 DFBDMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373809113 287210859 /nfs/dbraw/zinc/21/08/59/287210859.db2.gz DRNDXQUDQRWWDM-KBRIMQKVSA-N 1 1 320.389 2.926 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269387513 287232245 /nfs/dbraw/zinc/23/22/45/287232245.db2.gz RDILYYZAFYHUCI-NEPJUHHUSA-N 1 1 310.785 2.706 20 5 DFBDMO CC[N@H+]1CCC[C@H](CNc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000129822024 196078088 /nfs/dbraw/zinc/07/80/88/196078088.db2.gz WEXXKFGFKKJUAT-GFCCVEGCSA-N 1 1 323.393 2.756 20 5 DFBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000134273041 196375440 /nfs/dbraw/zinc/37/54/40/196375440.db2.gz WJCUIDJMIMJKSL-SNVBAGLBSA-N 1 1 315.167 2.578 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000295576106 225005180 /nfs/dbraw/zinc/00/51/80/225005180.db2.gz BCAMYGNWFUKRJV-ZDUSSCGKSA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000295576106 225005183 /nfs/dbraw/zinc/00/51/83/225005183.db2.gz BCAMYGNWFUKRJV-ZDUSSCGKSA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000295576106 225005184 /nfs/dbraw/zinc/00/51/84/225005184.db2.gz BCAMYGNWFUKRJV-ZDUSSCGKSA-N 1 1 303.406 2.819 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000290951676 222024081 /nfs/dbraw/zinc/02/40/81/222024081.db2.gz MSTOIAXDOKWAKT-LLVKDONJSA-N 1 1 311.357 2.584 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290901583 222006933 /nfs/dbraw/zinc/00/69/33/222006933.db2.gz VEMHHZGDIUNZPH-OLZOCXBDSA-N 1 1 322.409 2.684 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291339291 222323386 /nfs/dbraw/zinc/32/33/86/222323386.db2.gz VRMZNYHSKUTCJW-ZDUSSCGKSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291339291 222323391 /nfs/dbraw/zinc/32/33/91/222323391.db2.gz VRMZNYHSKUTCJW-ZDUSSCGKSA-N 1 1 306.753 2.892 20 5 DFBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000068899374 425923066 /nfs/dbraw/zinc/92/30/66/425923066.db2.gz DJLHRSAOOPVVNK-UHFFFAOYSA-N 1 1 323.368 2.728 20 5 DFBDMO Cc1cc(C(=O)NCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000068903466 425924453 /nfs/dbraw/zinc/92/44/53/425924453.db2.gz HXVYPUVYXPERHY-UHFFFAOYSA-N 1 1 319.405 2.898 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000007377998 425642836 /nfs/dbraw/zinc/64/28/36/425642836.db2.gz MNJMULMXHMJDJC-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000007384078 425642021 /nfs/dbraw/zinc/64/20/21/425642021.db2.gz YCAOXSKSYPQXFY-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000007384078 425642027 /nfs/dbraw/zinc/64/20/27/425642027.db2.gz YCAOXSKSYPQXFY-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000192908608 268052963 /nfs/dbraw/zinc/05/29/63/268052963.db2.gz RIKJDCVHNBASQQ-ZDUSSCGKSA-N 1 1 317.345 2.529 20 5 DFBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000193487420 268070998 /nfs/dbraw/zinc/07/09/98/268070998.db2.gz ZMASXSPBCPEROE-OLZOCXBDSA-N 1 1 320.393 2.837 20 5 DFBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194067800 268089463 /nfs/dbraw/zinc/08/94/63/268089463.db2.gz ZEAIMELAGJWKSK-CQSZACIVSA-N 1 1 323.349 2.750 20 5 DFBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194067800 268089465 /nfs/dbraw/zinc/08/94/65/268089465.db2.gz ZEAIMELAGJWKSK-CQSZACIVSA-N 1 1 323.349 2.750 20 5 DFBDMO C[C@H]([NH2+][C@@H](C)c1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000194714982 268113332 /nfs/dbraw/zinc/11/33/32/268113332.db2.gz TVZOHTMYWZQBIC-RYUDHWBXSA-N 1 1 314.345 2.668 20 5 DFBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195625045 268136848 /nfs/dbraw/zinc/13/68/48/268136848.db2.gz PHHOUFPXBBJDKU-MJBXVCDLSA-N 1 1 319.405 2.691 20 5 DFBDMO CC[N@H+](CCOC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270790974 268217710 /nfs/dbraw/zinc/21/77/10/268217710.db2.gz RKIIPKLKPCBZAW-LLVKDONJSA-N 1 1 320.349 2.674 20 5 DFBDMO CC[N@@H+](CCOC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270790974 268217714 /nfs/dbraw/zinc/21/77/14/268217714.db2.gz RKIIPKLKPCBZAW-LLVKDONJSA-N 1 1 320.349 2.674 20 5 DFBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000049844115 425880504 /nfs/dbraw/zinc/88/05/04/425880504.db2.gz HZGDAPHECRDVRS-VIFPVBQESA-N 1 1 314.183 2.721 20 5 DFBDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445073 425881825 /nfs/dbraw/zinc/88/18/25/425881825.db2.gz DWASYWRVKXHHRY-UHFFFAOYSA-N 1 1 300.742 2.633 20 5 DFBDMO CCOC(=O)CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103465869 425948755 /nfs/dbraw/zinc/94/87/55/425948755.db2.gz NUURMKOUYDWOMY-UHFFFAOYSA-N 1 1 324.352 2.899 20 5 DFBDMO CC[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000127109473 426052129 /nfs/dbraw/zinc/05/21/29/426052129.db2.gz QWFUGKIFDKQHGW-ZDUSSCGKSA-N 1 1 305.378 2.680 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](CO)C3)o2)c1 ZINC000127230470 426057212 /nfs/dbraw/zinc/05/72/12/426057212.db2.gz QAZCCMQPDMHENY-LBPRGKRZSA-N 1 1 302.330 2.669 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(n2cncn2)CC1 ZINC000163516532 426102574 /nfs/dbraw/zinc/10/25/74/426102574.db2.gz IMUVWAZIJNKMDF-UHFFFAOYSA-N 1 1 321.768 2.677 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000113364882 426112985 /nfs/dbraw/zinc/11/29/85/426112985.db2.gz QQZWBGWDXDDWSC-CQSZACIVSA-N 1 1 320.393 2.981 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076487191 426113210 /nfs/dbraw/zinc/11/32/10/426113210.db2.gz OVKHTNVECVQARS-UKRRQHHQSA-N 1 1 319.405 2.706 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)CC(C)C)c([N+](=O)[O-])c1 ZINC000114725629 426143462 /nfs/dbraw/zinc/14/34/62/426143462.db2.gz PCHLLIPXIWEVLR-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000129964313 426144064 /nfs/dbraw/zinc/14/40/64/426144064.db2.gz TVRRJNULKOXQSF-UHFFFAOYSA-N 1 1 316.361 2.618 20 5 DFBDMO Cc1cccc(NCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000115171330 426155893 /nfs/dbraw/zinc/15/58/93/426155893.db2.gz SUZVUCJKBVEMKD-UHFFFAOYSA-N 1 1 315.333 2.532 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOCC23CCC3)cc1 ZINC000135531767 426221186 /nfs/dbraw/zinc/22/11/86/426221186.db2.gz DXKKOAKKEVUXDV-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081584865 426223974 /nfs/dbraw/zinc/22/39/74/426223974.db2.gz GBJSJGKPFJERPS-CYBMUJFWSA-N 1 1 309.385 2.898 20 5 DFBDMO Cc1nccn1CCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000136304322 426238978 /nfs/dbraw/zinc/23/89/78/426238978.db2.gz XABUFBCCSYTMCM-UHFFFAOYSA-N 1 1 318.377 2.501 20 5 DFBDMO CCc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000173454522 426240525 /nfs/dbraw/zinc/24/05/25/426240525.db2.gz FUVHWZDIJPMEPA-INIZCTEOSA-N 1 1 319.405 2.569 20 5 DFBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000173454522 426240529 /nfs/dbraw/zinc/24/05/29/426240529.db2.gz FUVHWZDIJPMEPA-INIZCTEOSA-N 1 1 319.405 2.569 20 5 DFBDMO COc1ccc(C)nc1NCc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000150977977 426270436 /nfs/dbraw/zinc/27/04/36/426270436.db2.gz SNSSWJVLGZYAPF-UHFFFAOYSA-N 1 1 319.317 2.633 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087343213 426271492 /nfs/dbraw/zinc/27/14/92/426271492.db2.gz DIPPPPPUKCWYDC-MRXNPFEDSA-N 1 1 319.405 2.518 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCC1CC1 ZINC000135253903 426211252 /nfs/dbraw/zinc/21/12/52/426211252.db2.gz HHCGCVPPHSVMPD-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000117344757 426212396 /nfs/dbraw/zinc/21/23/96/426212396.db2.gz BVTPJGIXGMOMMT-LBPRGKRZSA-N 1 1 305.378 2.706 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000175288403 426294887 /nfs/dbraw/zinc/29/48/87/426294887.db2.gz XQEYUPAIFVVMRQ-ZBFHGGJFSA-N 1 1 319.405 2.662 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000175357898 426299284 /nfs/dbraw/zinc/29/92/84/426299284.db2.gz VNNBXHMYBUECCW-CQSZACIVSA-N 1 1 307.394 2.520 20 5 DFBDMO CC[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090068478 426324661 /nfs/dbraw/zinc/32/46/61/426324661.db2.gz NLEPEPOTALFZIS-HOTGVXAUSA-N 1 1 313.357 2.862 20 5 DFBDMO Cc1cc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000153662861 426397806 /nfs/dbraw/zinc/39/78/06/426397806.db2.gz BXFWIHIDFHYKGK-GXTWGEPZSA-N 1 1 320.393 2.753 20 5 DFBDMO Cc1ccc([C@H](C)NC(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000176082385 426350292 /nfs/dbraw/zinc/35/02/92/426350292.db2.gz YXGIOJBTHHXFSJ-ZDUSSCGKSA-N 1 1 322.409 2.604 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccc(F)cc2)C2CC2)n1 ZINC000176197694 426359540 /nfs/dbraw/zinc/35/95/40/426359540.db2.gz SQLVHPCBROLEQP-UHFFFAOYSA-N 1 1 304.325 2.595 20 5 DFBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000176235930 426363707 /nfs/dbraw/zinc/36/37/07/426363707.db2.gz HKJGORPTVLKLDG-SNVBAGLBSA-N 1 1 309.395 2.558 20 5 DFBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176250048 426364834 /nfs/dbraw/zinc/36/48/34/426364834.db2.gz DKBLPKCDYNRJPL-LSDHHAIUSA-N 1 1 314.389 2.978 20 5 DFBDMO Cc1cc[nH+]c(N2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000153004026 426365793 /nfs/dbraw/zinc/36/57/93/426365793.db2.gz DXMBKEBKXSTQDA-UHFFFAOYSA-N 1 1 312.373 2.933 20 5 DFBDMO CCOc1ccc([C@H](C)NC[C@@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000153013187 426366192 /nfs/dbraw/zinc/36/61/92/426366192.db2.gz ZSVVRGVSHXLDNQ-KBPBESRZSA-N 1 1 321.421 2.986 20 5 DFBDMO CCOc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000153013187 426366195 /nfs/dbraw/zinc/36/61/95/426366195.db2.gz ZSVVRGVSHXLDNQ-KBPBESRZSA-N 1 1 321.421 2.986 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000122388891 426372330 /nfs/dbraw/zinc/37/23/30/426372330.db2.gz OFOMMKLHURREMA-LBPRGKRZSA-N 1 1 321.377 2.525 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000123073416 426413118 /nfs/dbraw/zinc/41/31/18/426413118.db2.gz QGVJCARZCYHNIB-UHFFFAOYSA-N 1 1 303.362 2.718 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC2(CCC2)C1 ZINC000123073416 426413121 /nfs/dbraw/zinc/41/31/21/426413121.db2.gz QGVJCARZCYHNIB-UHFFFAOYSA-N 1 1 303.362 2.718 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000123073156 426413147 /nfs/dbraw/zinc/41/31/47/426413147.db2.gz JJABOJKSUOOZSB-UHFFFAOYSA-N 1 1 303.362 2.718 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC2(CCC2)C1 ZINC000123073156 426413149 /nfs/dbraw/zinc/41/31/49/426413149.db2.gz JJABOJKSUOOZSB-UHFFFAOYSA-N 1 1 303.362 2.718 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123298540 426425244 /nfs/dbraw/zinc/42/52/44/426425244.db2.gz DIDZDWUJYSNJDN-TZMCWYRMSA-N 1 1 307.394 2.518 20 5 DFBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000177082384 426441881 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DFBDMO CC[C@H](C)C[N@@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000177846597 426531316 /nfs/dbraw/zinc/53/13/16/426531316.db2.gz BHODFJLEBQVEQR-ZFWWWQNUSA-N 1 1 310.394 2.703 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000177869998 426533066 /nfs/dbraw/zinc/53/30/66/426533066.db2.gz KAHTVVZBYJFVQW-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177874982 426533339 /nfs/dbraw/zinc/53/33/39/426533339.db2.gz JMKGHPNGYLRGID-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO CC(C)n1nccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000280307561 426545971 /nfs/dbraw/zinc/54/59/71/426545971.db2.gz BSIFEUWROFMVDH-UHFFFAOYSA-N 1 1 314.349 2.538 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000177963964 426547734 /nfs/dbraw/zinc/54/77/34/426547734.db2.gz KBVGLBYVDFLTCZ-OAHLLOKOSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000177963964 426547738 /nfs/dbraw/zinc/54/77/38/426547738.db2.gz KBVGLBYVDFLTCZ-OAHLLOKOSA-N 1 1 317.320 2.782 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177570473 426496921 /nfs/dbraw/zinc/49/69/21/426496921.db2.gz HIPWCFJYDCXSGT-OKILXGFUSA-N 1 1 317.389 2.964 20 5 DFBDMO CC(C)[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000177658661 426501872 /nfs/dbraw/zinc/50/18/72/426501872.db2.gz KRBMDEGNKBFWHS-CQSZACIVSA-N 1 1 306.362 2.758 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000289112611 426585261 /nfs/dbraw/zinc/58/52/61/426585261.db2.gz WIFZZRRZGHDCBZ-KBPBESRZSA-N 1 1 322.405 2.975 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000289112611 426585267 /nfs/dbraw/zinc/58/52/67/426585267.db2.gz WIFZZRRZGHDCBZ-KBPBESRZSA-N 1 1 322.405 2.975 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280552295 426598506 /nfs/dbraw/zinc/59/85/06/426598506.db2.gz UJZOESJRSVALAY-WWGRRREGSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280552295 426598510 /nfs/dbraw/zinc/59/85/10/426598510.db2.gz UJZOESJRSVALAY-WWGRRREGSA-N 1 1 306.362 2.536 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)ccc1Cl ZINC000178019628 426556475 /nfs/dbraw/zinc/55/64/75/426556475.db2.gz BJIFHTHAKBDMOT-ODOQXGPZSA-N 1 1 310.781 2.841 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)ccc1Cl ZINC000178019628 426556478 /nfs/dbraw/zinc/55/64/78/426556478.db2.gz BJIFHTHAKBDMOT-ODOQXGPZSA-N 1 1 310.781 2.841 20 5 DFBDMO C[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000273385120 426654451 /nfs/dbraw/zinc/65/44/51/426654451.db2.gz IXRFOZWZDAVPHW-UHFFFAOYSA-N 1 1 324.356 2.730 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000273424145 426661469 /nfs/dbraw/zinc/66/14/69/426661469.db2.gz VYZGZHDIYIZOHA-GFCCVEGCSA-N 1 1 318.377 2.966 20 5 DFBDMO CC1=C(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 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PMEHSEILZVPKEE-JOCHJYFZSA-N 1 1 318.398 2.964 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265777983 426688552 /nfs/dbraw/zinc/68/85/52/426688552.db2.gz JINHONHDKRXBFT-UHFFFAOYSA-N 1 1 321.421 2.719 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCOC(C)C ZINC000265899913 426707585 /nfs/dbraw/zinc/70/75/85/426707585.db2.gz ULLWUEQHLOAQOD-UHFFFAOYSA-N 1 1 323.393 2.589 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCOC(C)C ZINC000265899913 426707590 /nfs/dbraw/zinc/70/75/90/426707590.db2.gz ULLWUEQHLOAQOD-UHFFFAOYSA-N 1 1 323.393 2.589 20 5 DFBDMO Cc1ncsc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178861736 426709375 /nfs/dbraw/zinc/70/93/75/426709375.db2.gz ZKPKIMSRALTKMJ-ZDUSSCGKSA-N 1 1 307.375 2.525 20 5 DFBDMO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290121986 426697226 /nfs/dbraw/zinc/69/72/26/426697226.db2.gz IVUZZLGNMFOODO-CQSZACIVSA-N 1 1 321.377 2.614 20 5 DFBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290121986 426697229 /nfs/dbraw/zinc/69/72/29/426697229.db2.gz IVUZZLGNMFOODO-CQSZACIVSA-N 1 1 321.377 2.614 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000274457537 426771077 /nfs/dbraw/zinc/77/10/77/426771077.db2.gz JLVDVJHHJVVTNH-ZDUSSCGKSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1[nH+]ccn1CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000274279690 426734819 /nfs/dbraw/zinc/73/48/19/426734819.db2.gz OLHGICBYHKCRDD-UHFFFAOYSA-N 1 1 317.349 2.538 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266951727 426802867 /nfs/dbraw/zinc/80/28/67/426802867.db2.gz ULIYZOBBYMDWSQ-GFCCVEGCSA-N 1 1 316.361 2.706 20 5 DFBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000246158326 426805970 /nfs/dbraw/zinc/80/59/70/426805970.db2.gz NLZKOJYJHFKRMB-TYNCELHUSA-N 1 1 317.389 2.847 20 5 DFBDMO CC(C)[N@H+](C)C[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000290635120 426808206 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2.562 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000295186955 426852922 /nfs/dbraw/zinc/85/29/22/426852922.db2.gz IJAGONFYULPOKB-CYBMUJFWSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246840742 426870140 /nfs/dbraw/zinc/87/01/40/426870140.db2.gz PZESXISEBGTAFS-JSGCOSHPSA-N 1 1 320.393 2.850 20 5 DFBDMO Cc1sc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295243428 426875584 /nfs/dbraw/zinc/87/55/84/426875584.db2.gz DESHAPRRFPBFLF-JTQLQIEISA-N 1 1 323.418 2.521 20 5 DFBDMO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282415199 426906886 /nfs/dbraw/zinc/90/68/86/426906886.db2.gz IVXCKOMCAJPJLS-KGLIPLIRSA-N 1 1 321.421 2.762 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000181485278 426953863 /nfs/dbraw/zinc/95/38/63/426953863.db2.gz AALVADJZUXQKEY-PBHICJAKSA-N 1 1 322.405 2.847 20 5 DFBDMO C[C@H]1SCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000283271972 426986438 /nfs/dbraw/zinc/98/64/38/426986438.db2.gz LILMUYGOZNISNF-NWDGAFQWSA-N 1 1 323.418 2.749 20 5 DFBDMO COCCO[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000189733396 426935973 /nfs/dbraw/zinc/93/59/73/426935973.db2.gz PKZVRGLIXJOCTM-HIFRSBDPSA-N 1 1 308.378 2.702 20 5 DFBDMO CC(=O)c1ccc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268189672 426941474 /nfs/dbraw/zinc/94/14/74/426941474.db2.gz DUBOZKYPHHKXFI-IAQYHMDHSA-N 1 1 305.378 2.938 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C1CCC1 ZINC000275887142 426942062 /nfs/dbraw/zinc/94/20/62/426942062.db2.gz RNWCIXFLZNNYJU-UHFFFAOYSA-N 1 1 308.378 2.729 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291662512 426943774 /nfs/dbraw/zinc/94/37/74/426943774.db2.gz FWGHHZDBUWHHFJ-JQWIXIFHSA-N 1 1 300.305 2.605 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291662512 426943780 /nfs/dbraw/zinc/94/37/80/426943780.db2.gz FWGHHZDBUWHHFJ-JQWIXIFHSA-N 1 1 300.305 2.605 20 5 DFBDMO Cc1noc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000276272202 427024247 /nfs/dbraw/zinc/02/42/47/427024247.db2.gz DBMBOTANVJMKTG-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000276272202 427024254 /nfs/dbraw/zinc/02/42/54/427024254.db2.gz DBMBOTANVJMKTG-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000182206357 427028490 /nfs/dbraw/zinc/02/84/90/427028490.db2.gz OKRCTNXARQCCKY-GXTWGEPZSA-N 1 1 309.797 2.917 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000248665452 427030565 /nfs/dbraw/zinc/03/05/65/427030565.db2.gz MBQGBZQJSZFGIH-IUODEOHRSA-N 1 1 317.389 2.848 20 5 DFBDMO COc1cc(C[N@H+](C(C)C)[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000291963839 427039735 /nfs/dbraw/zinc/03/97/35/427039735.db2.gz VFIZXHKMJJYLDZ-LBPRGKRZSA-N 1 1 312.341 2.742 20 5 DFBDMO COc1cc(C[N@@H+](C(C)C)[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000291963839 427039741 /nfs/dbraw/zinc/03/97/41/427039741.db2.gz VFIZXHKMJJYLDZ-LBPRGKRZSA-N 1 1 312.341 2.742 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268523167 427041317 /nfs/dbraw/zinc/04/13/17/427041317.db2.gz XGBRPNNQJQHSRY-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268523167 427041320 /nfs/dbraw/zinc/04/13/20/427041320.db2.gz XGBRPNNQJQHSRY-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000268523167 427041327 /nfs/dbraw/zinc/04/13/27/427041327.db2.gz XGBRPNNQJQHSRY-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000268523167 427041331 /nfs/dbraw/zinc/04/13/31/427041331.db2.gz XGBRPNNQJQHSRY-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000268523167 427041334 /nfs/dbraw/zinc/04/13/34/427041334.db2.gz XGBRPNNQJQHSRY-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCSC[C@@H](C)C1 ZINC000248963001 427067678 /nfs/dbraw/zinc/06/76/78/427067678.db2.gz CETNYJYNQPEEBO-NWDGAFQWSA-N 1 1 323.418 2.607 20 5 DFBDMO CC(C)([NH2+]CC(=O)N1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000292059018 427075015 /nfs/dbraw/zinc/07/50/15/427075015.db2.gz CKOUCVSDYFFHIZ-UHFFFAOYSA-N 1 1 319.405 2.822 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249004836 427075471 /nfs/dbraw/zinc/07/54/71/427075471.db2.gz SHMHMWYVNQSVIO-DOMZBBRYSA-N 1 1 320.393 2.753 20 5 DFBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130600 427086910 /nfs/dbraw/zinc/08/69/10/427086910.db2.gz JCIFTZJCZKVDHJ-NOZJJQNGSA-N 1 1 318.295 2.959 20 5 DFBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130600 427086914 /nfs/dbraw/zinc/08/69/14/427086914.db2.gz JCIFTZJCZKVDHJ-NOZJJQNGSA-N 1 1 318.295 2.959 20 5 DFBDMO CC(=O)N(C[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000276557569 427099090 /nfs/dbraw/zinc/09/90/90/427099090.db2.gz SJVLWYTYWOZQTG-MRXNPFEDSA-N 1 1 317.389 2.570 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@@H](Oc3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000268728113 427102598 /nfs/dbraw/zinc/10/25/98/427102598.db2.gz WXXDNLONZOONRW-OAHLLOKOSA-N 1 1 313.357 2.952 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCSC[C@H](C)C1 ZINC000190435043 427110064 /nfs/dbraw/zinc/11/00/64/427110064.db2.gz CETNYJYNQPEEBO-NEPJUHHUSA-N 1 1 323.418 2.607 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)C1 ZINC000292222420 427138653 /nfs/dbraw/zinc/13/86/53/427138653.db2.gz IGGSOLQMVGJJMS-KRWDZBQOSA-N 1 1 312.373 2.675 20 5 DFBDMO Cc1cc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000182766125 427141234 /nfs/dbraw/zinc/14/12/34/427141234.db2.gz YKPQDRJWSXSKEX-UONOGXRCSA-N 1 1 318.377 2.604 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000182820944 427152625 /nfs/dbraw/zinc/15/26/25/427152625.db2.gz SYHKHXUWWDXHNZ-CHWSQXEVSA-N 1 1 305.378 2.552 20 5 DFBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]2C1 ZINC000278825456 271320122 /nfs/dbraw/zinc/32/01/22/271320122.db2.gz UIKMBSSZDJWALA-AOOOYVTPSA-N 1 1 315.295 2.611 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000296323502 271352241 /nfs/dbraw/zinc/35/22/41/271352241.db2.gz OXCMZRSDIDXJPL-SNVBAGLBSA-N 1 1 300.355 2.680 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000296323502 271352244 /nfs/dbraw/zinc/35/22/44/271352244.db2.gz OXCMZRSDIDXJPL-SNVBAGLBSA-N 1 1 300.355 2.680 20 5 DFBDMO Cc1nc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000292334362 427178362 /nfs/dbraw/zinc/17/83/62/427178362.db2.gz PPAFSSJAMSSBAQ-GFCCVEGCSA-N 1 1 304.394 2.609 20 5 DFBDMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183122538 427205241 /nfs/dbraw/zinc/20/52/41/427205241.db2.gz YMPJJWYIZKRQJR-IVZQSRNASA-N 1 1 318.398 2.804 20 5 DFBDMO CCn1ccnc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296530724 427213765 /nfs/dbraw/zinc/21/37/65/427213765.db2.gz QJGQIKCRAMSKQZ-HNNXBMFYSA-N 1 1 300.362 2.978 20 5 DFBDMO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330454908 427242323 /nfs/dbraw/zinc/24/23/23/427242323.db2.gz NNOOBXZBCUAEKO-GXTWGEPZSA-N 1 1 307.394 2.605 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330454908 427242328 /nfs/dbraw/zinc/24/23/28/427242328.db2.gz NNOOBXZBCUAEKO-GXTWGEPZSA-N 1 1 307.394 2.605 20 5 DFBDMO Cn1cc(Cl)cc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667489 427246434 /nfs/dbraw/zinc/24/64/34/427246434.db2.gz SVBSSTQUJOMCHS-OAHLLOKOSA-N 1 1 323.780 2.752 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000183393993 427260740 /nfs/dbraw/zinc/26/07/40/427260740.db2.gz QUZXSVTZDUESDL-WBVHZDCISA-N 1 1 303.406 2.819 20 5 DFBDMO CCC[C@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOC1 ZINC000285587552 427280764 /nfs/dbraw/zinc/28/07/64/427280764.db2.gz OSWDEKQPJLXUEQ-AWEZNQCLSA-N 1 1 300.305 2.922 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277768425 427312287 /nfs/dbraw/zinc/31/22/87/427312287.db2.gz MVQBWTLXGVHKCH-AAEUAGOBSA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277768425 427312293 /nfs/dbraw/zinc/31/22/93/427312293.db2.gz MVQBWTLXGVHKCH-AAEUAGOBSA-N 1 1 318.295 2.730 20 5 DFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccc(F)cc1 ZINC000293435133 427323686 /nfs/dbraw/zinc/32/36/86/427323686.db2.gz JOLZNXBSZVLCMA-INIZCTEOSA-N 1 1 318.348 2.769 20 5 DFBDMO CCc1nocc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000293452472 427329261 /nfs/dbraw/zinc/32/92/61/427329261.db2.gz PLYVRYNAKAVMBB-UHFFFAOYSA-N 1 1 305.334 2.656 20 5 DFBDMO CCc1nocc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000293452472 427329266 /nfs/dbraw/zinc/32/92/66/427329266.db2.gz PLYVRYNAKAVMBB-UHFFFAOYSA-N 1 1 305.334 2.656 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000277833295 427334875 /nfs/dbraw/zinc/33/48/75/427334875.db2.gz ZMJZNQNOTLCRNV-ZDUSSCGKSA-N 1 1 323.393 2.516 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183811305 427345386 /nfs/dbraw/zinc/34/53/86/427345386.db2.gz LJJDKWFOQUJRQC-UHFFFAOYSA-N 1 1 312.373 2.702 20 5 DFBDMO CN(CCOc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285610615 427288793 /nfs/dbraw/zinc/28/87/93/427288793.db2.gz VTWXRYWBSOTBOG-MZBDJJRSSA-N 1 1 319.405 2.531 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1(O)CCCC1 ZINC000269866794 427295468 /nfs/dbraw/zinc/29/54/68/427295468.db2.gz XQGOVQFOWWEWIR-UHFFFAOYSA-N 1 1 308.378 2.730 20 5 DFBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000191245522 427297393 /nfs/dbraw/zinc/29/73/93/427297393.db2.gz PPWSQWSTWPRSOC-UHFFFAOYSA-N 1 1 315.373 2.681 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000271043235 427386073 /nfs/dbraw/zinc/38/60/73/427386073.db2.gz OLIDQYKCADFREZ-LLVKDONJSA-N 1 1 304.371 2.890 20 5 DFBDMO CC[N@@H+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(C)C ZINC000338722607 427454217 /nfs/dbraw/zinc/45/42/17/427454217.db2.gz SZKQWIAYIPJRHG-UHFFFAOYSA-N 1 1 320.393 2.622 20 5 DFBDMO C[C@@H]1CCSCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286208337 427455578 /nfs/dbraw/zinc/45/55/78/427455578.db2.gz QKZXQVNGOGKBBX-GFCCVEGCSA-N 1 1 323.418 2.751 20 5 DFBDMO CC[N@@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000338767073 427474590 /nfs/dbraw/zinc/47/45/90/427474590.db2.gz MRMYZAMADWVKNF-UHFFFAOYSA-N 1 1 319.361 2.801 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)C(C)C ZINC000297923612 427487254 /nfs/dbraw/zinc/48/72/54/427487254.db2.gz QQDYFQIGTGIHAD-LBPRGKRZSA-N 1 1 323.393 2.908 20 5 DFBDMO C[C@]1(CCCO)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000271183209 427436509 /nfs/dbraw/zinc/43/65/09/427436509.db2.gz IHEVJANRHDSESA-MRXNPFEDSA-N 1 1 308.378 2.601 20 5 DFBDMO Cc1c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000286179646 427446818 /nfs/dbraw/zinc/44/68/18/427446818.db2.gz KXJSFFCMHRHCIR-PBWFPOADSA-N 1 1 317.389 2.600 20 5 DFBDMO C[N@@H+](CCCCCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278902687 427493509 /nfs/dbraw/zinc/49/35/09/427493509.db2.gz POITZLFNSOTSLN-UHFFFAOYSA-N 1 1 319.361 2.844 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000192168219 427496425 /nfs/dbraw/zinc/49/64/25/427496425.db2.gz ADQCAUCVPNBAFA-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@H](C)CC1 ZINC000192168219 427496431 /nfs/dbraw/zinc/49/64/31/427496431.db2.gz ADQCAUCVPNBAFA-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000332055411 427499576 /nfs/dbraw/zinc/49/95/76/427499576.db2.gz OKKYPFXSHGIZDF-CYBMUJFWSA-N 1 1 317.389 2.748 20 5 DFBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271349364 427503734 /nfs/dbraw/zinc/50/37/34/427503734.db2.gz SMOCFFPHFVHEQD-SECBINFHSA-N 1 1 301.293 2.560 20 5 DFBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000286665590 427538624 /nfs/dbraw/zinc/53/86/24/427538624.db2.gz BCMUAXYAWAOTMO-CQSZACIVSA-N 1 1 321.377 2.614 20 5 DFBDMO C[C@@]12CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000298449285 427612854 /nfs/dbraw/zinc/61/28/54/427612854.db2.gz ZPEVMENWQIXHDI-UONOGXRCSA-N 1 1 312.316 2.951 20 5 DFBDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000332247601 427558971 /nfs/dbraw/zinc/55/89/71/427558971.db2.gz BOOTVTGMJUNYAI-ZDUSSCGKSA-N 1 1 318.352 2.847 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3CCC[N@@H+]3C3CC3)n2)c1 ZINC000279113735 427563076 /nfs/dbraw/zinc/56/30/76/427563076.db2.gz YVIOIRXODCACEN-CYBMUJFWSA-N 1 1 300.318 2.944 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3CCC[N@H+]3C3CC3)n2)c1 ZINC000279113735 427563086 /nfs/dbraw/zinc/56/30/86/427563086.db2.gz YVIOIRXODCACEN-CYBMUJFWSA-N 1 1 300.318 2.944 20 5 DFBDMO C[C@]12CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000298317252 427568813 /nfs/dbraw/zinc/56/88/13/427568813.db2.gz QPPBAIFVOPUXLX-MJBXVCDLSA-N 1 1 312.316 2.605 20 5 DFBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000263787885 427570118 /nfs/dbraw/zinc/57/01/18/427570118.db2.gz WRYGWIURLXGYMG-CQSZACIVSA-N 1 1 319.405 2.723 20 5 DFBDMO Nc1ccc(N2CCC[N@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000287323590 427578202 /nfs/dbraw/zinc/57/82/02/427578202.db2.gz NWHYBKLESQFKPA-UHFFFAOYSA-N 1 1 304.394 2.632 20 5 DFBDMO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000294218464 427587657 /nfs/dbraw/zinc/58/76/57/427587657.db2.gz SFSPQPFURXKKRW-GFCCVEGCSA-N 1 1 318.295 2.816 20 5 DFBDMO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000294218464 427587665 /nfs/dbraw/zinc/58/76/65/427587665.db2.gz SFSPQPFURXKKRW-GFCCVEGCSA-N 1 1 318.295 2.816 20 5 DFBDMO CCCn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338954077 427588488 /nfs/dbraw/zinc/58/84/88/427588488.db2.gz HZLAFXLTLZCQJH-UHFFFAOYSA-N 1 1 302.378 2.876 20 5 DFBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339057657 427652373 /nfs/dbraw/zinc/65/23/73/427652373.db2.gz UQXBPPFLFJZYJK-KCJUWKMLSA-N 1 1 304.268 2.569 20 5 DFBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339057657 427652379 /nfs/dbraw/zinc/65/23/79/427652379.db2.gz UQXBPPFLFJZYJK-KCJUWKMLSA-N 1 1 304.268 2.569 20 5 DFBDMO C[C@@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000287630095 427658262 /nfs/dbraw/zinc/65/82/62/427658262.db2.gz FSFXZMLQEQKBBE-NSHDSACASA-N 1 1 323.349 2.628 20 5 DFBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000185476613 427661329 /nfs/dbraw/zinc/66/13/29/427661329.db2.gz KIYQFCGVQDSUGA-LBPRGKRZSA-N 1 1 318.402 2.935 20 5 DFBDMO CC(C)C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342692484 272042804 /nfs/dbraw/zinc/04/28/04/272042804.db2.gz DIQICSNJGIUDGV-GJZGRUSLSA-N 1 1 322.405 2.845 20 5 DFBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CC2)C1 ZINC000295014468 427669635 /nfs/dbraw/zinc/66/96/35/427669635.db2.gz UDXKRSWQJLOUOM-SNVBAGLBSA-N 1 1 310.785 2.564 20 5 DFBDMO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185584699 427674420 /nfs/dbraw/zinc/67/44/20/427674420.db2.gz GBTGJAWJKZYNFZ-DOMZBBRYSA-N 1 1 305.378 2.678 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000343636377 272189912 /nfs/dbraw/zinc/18/99/12/272189912.db2.gz AZOVJTUMXQIJIM-MRXNPFEDSA-N 1 1 319.405 2.518 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916970 272237171 /nfs/dbraw/zinc/23/71/71/272237171.db2.gz GXZZULDQEWFXAQ-RHSMWYFYSA-N 1 1 303.406 2.696 20 5 DFBDMO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916970 272237173 /nfs/dbraw/zinc/23/71/73/272237173.db2.gz GXZZULDQEWFXAQ-RHSMWYFYSA-N 1 1 303.406 2.696 20 5 DFBDMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916970 272237174 /nfs/dbraw/zinc/23/71/74/272237174.db2.gz GXZZULDQEWFXAQ-RHSMWYFYSA-N 1 1 303.406 2.696 20 5 DFBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344025564 272250053 /nfs/dbraw/zinc/25/00/53/272250053.db2.gz IYFHENWBKZMEFB-LBPRGKRZSA-N 1 1 305.378 2.901 20 5 DFBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344025564 272250054 /nfs/dbraw/zinc/25/00/54/272250054.db2.gz IYFHENWBKZMEFB-LBPRGKRZSA-N 1 1 305.378 2.901 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](CO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000344123062 272268704 /nfs/dbraw/zinc/26/87/04/272268704.db2.gz GKWQRDRSCCWCBB-OCCSQVGLSA-N 1 1 308.378 2.586 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC(C(F)(F)F)CC1 ZINC000344152469 272275699 /nfs/dbraw/zinc/27/56/99/272275699.db2.gz UERSSSUKIAYJBZ-UHFFFAOYSA-N 1 1 320.315 2.844 20 5 DFBDMO CC[C@@]1(C)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000344223518 272290542 /nfs/dbraw/zinc/29/05/42/272290542.db2.gz WANYMQUONUGECW-KRWDZBQOSA-N 1 1 317.389 2.606 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344593284 272343177 /nfs/dbraw/zinc/34/31/77/272343177.db2.gz DATAYMCUQVFFQW-HNNXBMFYSA-N 1 1 319.405 2.753 20 5 DFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185677215 427687890 /nfs/dbraw/zinc/68/78/90/427687890.db2.gz KAGOUMPWENKCNS-IAQYHMDHSA-N 1 1 305.378 2.962 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000193863903 427720543 /nfs/dbraw/zinc/72/05/43/427720543.db2.gz ZVNCWRMEBPJFKI-ZDUSSCGKSA-N 1 1 316.361 2.706 20 5 DFBDMO COc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000193863903 427720546 /nfs/dbraw/zinc/72/05/46/427720546.db2.gz ZVNCWRMEBPJFKI-ZDUSSCGKSA-N 1 1 316.361 2.706 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301063129 427772976 /nfs/dbraw/zinc/77/29/76/427772976.db2.gz CEOPXHJLJBTPQB-NSHDSACASA-N 1 1 308.338 2.647 20 5 DFBDMO CC(=O)c1cc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000288025479 427729738 /nfs/dbraw/zinc/72/97/38/427729738.db2.gz WRWRGJGYIVMUAD-ABAIWWIYSA-N 1 1 305.378 2.938 20 5 DFBDMO Cc1cnc(N(C)CC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000301465235 427797709 /nfs/dbraw/zinc/79/77/09/427797709.db2.gz WXABOVFEDFOESX-UHFFFAOYSA-N 1 1 306.410 2.999 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000337348633 427857437 /nfs/dbraw/zinc/85/74/37/427857437.db2.gz ZFZZUUXCJADFRL-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339623533 427803744 /nfs/dbraw/zinc/80/37/44/427803744.db2.gz UQGJACSSZOVUNC-BETUJISGSA-N 1 1 307.394 2.518 20 5 DFBDMO Cc1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C2 ZINC000339636820 427805920 /nfs/dbraw/zinc/80/59/20/427805920.db2.gz PNIDPILZCNBFOU-UHFFFAOYSA-N 1 1 314.389 2.937 20 5 DFBDMO CCOc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000301660378 427813065 /nfs/dbraw/zinc/81/30/65/427813065.db2.gz CMEOVPWEMIQXDQ-ZFWWWQNUSA-N 1 1 319.405 2.914 20 5 DFBDMO CCOc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000301660377 427813093 /nfs/dbraw/zinc/81/30/93/427813093.db2.gz CMEOVPWEMIQXDQ-UKRRQHHQSA-N 1 1 319.405 2.914 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000339820053 427838245 /nfs/dbraw/zinc/83/82/45/427838245.db2.gz CDMXYOJDBJQRSA-MRXNPFEDSA-N 1 1 308.378 2.721 20 5 DFBDMO COc1cc(N[C@H]2CCc3[nH+]c(C)cn3C2)ccc1[N+](=O)[O-] ZINC000302710794 427855855 /nfs/dbraw/zinc/85/58/55/427855855.db2.gz ZKAHZKZWHDWADT-LBPRGKRZSA-N 1 1 302.334 2.535 20 5 DFBDMO CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000302744202 427862766 /nfs/dbraw/zinc/86/27/66/427862766.db2.gz DTFACJWWLIMXQO-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000355740943 427870256 /nfs/dbraw/zinc/87/02/56/427870256.db2.gz BYAKRDVYWNPPBM-QGZVFWFLSA-N 1 1 322.405 2.847 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302796441 427872343 /nfs/dbraw/zinc/87/23/43/427872343.db2.gz BWUJURGYXLBGLJ-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302796441 427872346 /nfs/dbraw/zinc/87/23/46/427872346.db2.gz BWUJURGYXLBGLJ-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345778388 427900933 /nfs/dbraw/zinc/90/09/33/427900933.db2.gz MZSLUPKKTUDUAP-BETUJISGSA-N 1 1 319.405 2.819 20 5 DFBDMO CCC(=O)c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000359651283 427957340 /nfs/dbraw/zinc/95/73/40/427957340.db2.gz QNDRWYOCZHYTNR-GFCCVEGCSA-N 1 1 314.345 2.811 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000340150322 427939749 /nfs/dbraw/zinc/93/97/49/427939749.db2.gz HRWVNMVOWGIXNR-HZSPNIEDSA-N 1 1 304.394 2.831 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000345880492 427939866 /nfs/dbraw/zinc/93/98/66/427939866.db2.gz PHPRNFDMWYLVQV-KGLIPLIRSA-N 1 1 319.405 2.896 20 5 DFBDMO COc1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000359625485 427943719 /nfs/dbraw/zinc/94/37/19/427943719.db2.gz NKFWCHLUDZMUBR-CQSZACIVSA-N 1 1 320.320 2.566 20 5 DFBDMO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000350596829 427954000 /nfs/dbraw/zinc/95/40/00/427954000.db2.gz OJODITWUZYCVBL-VXGBXAGGSA-N 1 1 316.361 2.941 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@]2(CCOC2)O1 ZINC000369707419 428041208 /nfs/dbraw/zinc/04/12/08/428041208.db2.gz SNSYUUTXRGQMLV-RDJZCZTQSA-N 1 1 320.389 2.673 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@]2(CCOC2)O1 ZINC000369707419 428041213 /nfs/dbraw/zinc/04/12/13/428041213.db2.gz SNSYUUTXRGQMLV-RDJZCZTQSA-N 1 1 320.389 2.673 20 5 DFBDMO C[N@H+]1CCC[C@H](CCNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000413432999 428048315 /nfs/dbraw/zinc/04/83/15/428048315.db2.gz CWRFQZILWNDGFI-CYBMUJFWSA-N 1 1 314.389 2.709 20 5 DFBDMO Cc1c(CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000369766434 428055424 /nfs/dbraw/zinc/05/54/24/428055424.db2.gz LRKNOXJSVPNVFC-IRXDYDNUSA-N 1 1 303.406 2.962 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369764355 428055973 /nfs/dbraw/zinc/05/59/73/428055973.db2.gz BRYYQHCPAZNICM-HZPDHXFCSA-N 1 1 307.369 2.793 20 5 DFBDMO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000369604768 428012449 /nfs/dbraw/zinc/01/24/49/428012449.db2.gz ZCOKDJOHXBVNRZ-BZUAXINKSA-N 1 1 320.389 2.660 20 5 DFBDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000369604768 428012454 /nfs/dbraw/zinc/01/24/54/428012454.db2.gz ZCOKDJOHXBVNRZ-BZUAXINKSA-N 1 1 320.389 2.660 20 5 DFBDMO O=[N+]([O-])c1ccc(CCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000369600770 428013408 /nfs/dbraw/zinc/01/34/08/428013408.db2.gz VKKVGRFUAWAURZ-NXHRZFHOSA-N 1 1 315.417 2.553 20 5 DFBDMO O=[N+]([O-])c1ccc(CCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000369600770 428013415 /nfs/dbraw/zinc/01/34/15/428013415.db2.gz VKKVGRFUAWAURZ-NXHRZFHOSA-N 1 1 315.417 2.553 20 5 DFBDMO Cc1cccc([C@@]2(F)CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000377150890 428072125 /nfs/dbraw/zinc/07/21/25/428072125.db2.gz BOBYSRTVZWMRSA-MRXNPFEDSA-N 1 1 318.352 2.670 20 5 DFBDMO Cc1cccc([C@@]2(F)CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000377150890 428072130 /nfs/dbraw/zinc/07/21/30/428072130.db2.gz BOBYSRTVZWMRSA-MRXNPFEDSA-N 1 1 318.352 2.670 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000359909982 428072753 /nfs/dbraw/zinc/07/27/53/428072753.db2.gz ZMWUUBWSXIAIGF-CJNGLKHVSA-N 1 1 319.405 2.520 20 5 DFBDMO CC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413571128 428083631 /nfs/dbraw/zinc/08/36/31/428083631.db2.gz PPRSTNOJABHOND-MRVPVSSYSA-N 1 1 304.272 2.515 20 5 DFBDMO Cc1sc(C(=O)NCCNc2cccc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000346236152 428085898 /nfs/dbraw/zinc/08/58/98/428085898.db2.gz ATQBAVJHHKSYBR-UHFFFAOYSA-N 1 1 320.374 2.510 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000369975324 428100563 /nfs/dbraw/zinc/10/05/63/428100563.db2.gz SEXRSTCLCSLUTH-CYBMUJFWSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000369975324 428100568 /nfs/dbraw/zinc/10/05/68/428100568.db2.gz SEXRSTCLCSLUTH-CYBMUJFWSA-N 1 1 304.325 2.768 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000356286969 428105836 /nfs/dbraw/zinc/10/58/36/428105836.db2.gz SQKBRZMAAAAAGN-IAQYHMDHSA-N 1 1 323.368 2.536 20 5 DFBDMO CCC[N@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000377374405 428115205 /nfs/dbraw/zinc/11/52/05/428115205.db2.gz XFUMNNLEFSKNDK-UHFFFAOYSA-N 1 1 306.366 2.544 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+]([C@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000377395601 428119829 /nfs/dbraw/zinc/11/98/29/428119829.db2.gz FSQGHIQSNYJYBJ-OIISXLGYSA-N 1 1 312.373 2.984 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535056 428138942 /nfs/dbraw/zinc/13/89/42/428138942.db2.gz LWYWHGRFMJJCIN-HIFRSBDPSA-N 1 1 321.421 2.908 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352541282 428141829 /nfs/dbraw/zinc/14/18/29/428141829.db2.gz VZJBBJODJSWXPC-KBPBESRZSA-N 1 1 306.362 2.604 20 5 DFBDMO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070104 428142604 /nfs/dbraw/zinc/14/26/04/428142604.db2.gz GXPHQEODECXDSB-OCCSQVGLSA-N 1 1 307.369 2.963 20 5 DFBDMO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070103 428142705 /nfs/dbraw/zinc/14/27/05/428142705.db2.gz GXPHQEODECXDSB-JSGCOSHPSA-N 1 1 307.369 2.963 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]21 ZINC000370082693 428129758 /nfs/dbraw/zinc/12/97/58/428129758.db2.gz OTTNIDQERPUANL-IAQYHMDHSA-N 1 1 309.797 2.774 20 5 DFBDMO CCC[NH+](CCC)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356510330 428209757 /nfs/dbraw/zinc/20/97/57/428209757.db2.gz HBJOQPFNYONIIG-UHFFFAOYSA-N 1 1 323.393 2.542 20 5 DFBDMO CC(C)C[C@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000356510335 428209938 /nfs/dbraw/zinc/20/99/38/428209938.db2.gz HGAUOQZRUYGXBH-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)C[C@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000356510335 428209942 /nfs/dbraw/zinc/20/99/42/428209942.db2.gz HGAUOQZRUYGXBH-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)C[C@@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000356517491 428214408 /nfs/dbraw/zinc/21/44/08/428214408.db2.gz WLOQGCPZCBNQDS-OAHLLOKOSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)C[C@@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000356517491 428214412 /nfs/dbraw/zinc/21/44/12/428214412.db2.gz WLOQGCPZCBNQDS-OAHLLOKOSA-N 1 1 308.378 2.721 20 5 DFBDMO CCc1ccc([C@H]([NH2+][C@@H](C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346480819 428189238 /nfs/dbraw/zinc/18/92/38/428189238.db2.gz GLHRSTIPLDSSMS-MEDUHNTESA-N 1 1 304.346 2.810 20 5 DFBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4c(F)cccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000352676543 428197813 /nfs/dbraw/zinc/19/78/13/428197813.db2.gz UHYVWRSOUPIOFF-WQFFQYHTSA-N 1 1 306.337 2.589 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000341788660 428199345 /nfs/dbraw/zinc/19/93/45/428199345.db2.gz ALUHUKIZECJVJR-ZDUSSCGKSA-N 1 1 319.405 2.884 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000341788660 428199350 /nfs/dbraw/zinc/19/93/50/428199350.db2.gz ALUHUKIZECJVJR-ZDUSSCGKSA-N 1 1 319.405 2.884 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000370402459 428201078 /nfs/dbraw/zinc/20/10/78/428201078.db2.gz AOHCQCVXVNJHQU-DYVFJYSZSA-N 1 1 317.389 2.600 20 5 DFBDMO Cc1c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000360356699 428266234 /nfs/dbraw/zinc/26/62/34/428266234.db2.gz WXWFJBLNEXWGFR-JKSUJKDBSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352780025 428244791 /nfs/dbraw/zinc/24/47/91/428244791.db2.gz RCHPITXEWHUOQP-OLZOCXBDSA-N 1 1 307.394 2.518 20 5 DFBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000370582048 428246264 /nfs/dbraw/zinc/24/62/64/428246264.db2.gz BZYKJNWDMYMKEU-CYBMUJFWSA-N 1 1 318.352 2.847 20 5 DFBDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000370582049 428246735 /nfs/dbraw/zinc/24/67/35/428246735.db2.gz BZYKJNWDMYMKEU-ZDUSSCGKSA-N 1 1 318.352 2.847 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/CNc1c[nH+]ccc1-n1ccnn1 ZINC000342223642 428355708 /nfs/dbraw/zinc/35/57/08/428355708.db2.gz IPKHXZIFTMAOKA-HWKANZROSA-N 1 1 322.328 2.696 20 5 DFBDMO COC(=O)[C@@]12C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]1CCCC2 ZINC000342149066 428322485 /nfs/dbraw/zinc/32/24/85/428322485.db2.gz HRGDICAJMWPYFN-PBHICJAKSA-N 1 1 318.373 2.760 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000371017362 428342413 /nfs/dbraw/zinc/34/24/13/428342413.db2.gz IOBJURXZGDRKCG-STQMWFEESA-N 1 1 310.785 2.706 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000378265268 428350518 /nfs/dbraw/zinc/35/05/18/428350518.db2.gz FQZHGCNUNOSLDV-LBPRGKRZSA-N 1 1 323.356 2.870 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3Cc4ccccc43)C2)nc1 ZINC000346993344 428400289 /nfs/dbraw/zinc/40/02/89/428400289.db2.gz JFMJJEMSOXRDNI-CABCVRRESA-N 1 1 324.384 2.816 20 5 DFBDMO Cn1cc[nH+]c1CC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342241192 428364763 /nfs/dbraw/zinc/36/47/63/428364763.db2.gz NALIXWDQAZQTFJ-UHFFFAOYSA-N 1 1 318.352 2.927 20 5 DFBDMO Cc1c(C(=O)Nc2cc[nH+]c(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000346945844 428380277 /nfs/dbraw/zinc/38/02/77/428380277.db2.gz YMTUXMPQEYBTKO-UHFFFAOYSA-N 1 1 300.318 2.617 20 5 DFBDMO CCCCN(CC)C(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342288046 428385279 /nfs/dbraw/zinc/38/52/79/428385279.db2.gz YIRWMUPUULJXEN-CYBMUJFWSA-N 1 1 307.394 2.894 20 5 DFBDMO Cc1ccc([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000378650507 428447864 /nfs/dbraw/zinc/44/78/64/428447864.db2.gz OUHLMWVUPZSVOD-OAHLLOKOSA-N 1 1 300.362 2.589 20 5 DFBDMO Cc1[nH+]ccn1-c1cncc(N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000357253555 428455001 /nfs/dbraw/zinc/45/50/01/428455001.db2.gz GVVZHRJAOVHDTJ-UHFFFAOYSA-N 1 1 324.344 2.515 20 5 DFBDMO Cc1cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000378510962 428417480 /nfs/dbraw/zinc/41/74/80/428417480.db2.gz JYUNCYZPVXRPFI-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](C4CC4)C3)n2)cc1 ZINC000372339568 428430879 /nfs/dbraw/zinc/43/08/79/428430879.db2.gz OGFKAKPQBWWUQK-CYBMUJFWSA-N 1 1 314.345 2.877 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000357317877 428480670 /nfs/dbraw/zinc/48/06/70/428480670.db2.gz RQFRCOGZBBUSJC-CQSZACIVSA-N 1 1 307.394 2.672 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000353319391 428481609 /nfs/dbraw/zinc/48/16/09/428481609.db2.gz DCJAOGJAFITQKE-UHFFFAOYSA-N 1 1 300.358 2.979 20 5 DFBDMO CC(C)c1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000360902159 428486280 /nfs/dbraw/zinc/48/62/80/428486280.db2.gz VITBHKDSQVSIMK-UHFFFAOYSA-N 1 1 317.389 2.710 20 5 DFBDMO C[C@@H](CO)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000347197705 428489589 /nfs/dbraw/zinc/48/95/89/428489589.db2.gz BCUIRYBLONNUIP-NSHDSACASA-N 1 1 318.377 2.597 20 5 DFBDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353341233 428492052 /nfs/dbraw/zinc/49/20/52/428492052.db2.gz BXLZWYCMMJFBSD-MBNYWOFBSA-N 1 1 305.378 2.502 20 5 DFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000408067147 428599251 /nfs/dbraw/zinc/59/92/51/428599251.db2.gz IXLYIASMIBEFFR-RYUDHWBXSA-N 1 1 300.362 2.672 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000344031795 428611610 /nfs/dbraw/zinc/61/16/10/428611610.db2.gz CYRXAZCIZZHRSQ-GDBMZVCRSA-N 1 1 320.389 2.623 20 5 DFBDMO CC1CC([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353612128 428619776 /nfs/dbraw/zinc/61/97/76/428619776.db2.gz HSLJQFGOTNZVIO-HGMXIMQMSA-N 1 1 300.362 2.806 20 5 DFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])nc1)Cc1ccc(F)cc1 ZINC000362129034 428632527 /nfs/dbraw/zinc/63/25/27/428632527.db2.gz JPJDRBVPFYWQQN-UHFFFAOYSA-N 1 1 304.325 2.673 20 5 DFBDMO Cc1[nH+]ccn1-c1ccccc1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000348180029 428643893 /nfs/dbraw/zinc/64/38/93/428643893.db2.gz NYUPGRHPEQOFGE-UHFFFAOYSA-N 1 1 323.356 3.404 20 5 DFBDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373809112 428649796 /nfs/dbraw/zinc/64/97/96/428649796.db2.gz DRNDXQUDQRWWDM-IAOVAPTHSA-N 1 1 320.389 2.926 20 5 DFBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373809112 428649799 /nfs/dbraw/zinc/64/97/99/428649799.db2.gz DRNDXQUDQRWWDM-IAOVAPTHSA-N 1 1 320.389 2.926 20 5 DFBDMO CSC[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194025179 274178629 /nfs/dbraw/zinc/17/86/29/274178629.db2.gz QJQZQRVUJNOHGM-GFCCVEGCSA-N 1 1 311.363 2.830 20 5 DFBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000354083324 274300844 /nfs/dbraw/zinc/30/08/44/274300844.db2.gz BBEAQRPUQXYXOQ-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000362327294 428705889 /nfs/dbraw/zinc/70/58/89/428705889.db2.gz XUTFBVSBOHAUKI-FZMZJTMJSA-N 1 1 324.352 2.743 20 5 DFBDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000374643140 428721203 /nfs/dbraw/zinc/72/12/03/428721203.db2.gz DZSRLMLPNWCMEL-WBMJQRKESA-N 1 1 322.336 2.509 20 5 DFBDMO CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411217758 428762920 /nfs/dbraw/zinc/76/29/20/428762920.db2.gz MVVPDHXLVPTUAX-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411316956 428777830 /nfs/dbraw/zinc/77/78/30/428777830.db2.gz NCMSHODBIYFERA-TXEJJXNPSA-N 1 1 321.377 2.805 20 5 DFBDMO Cc1cccc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000348545220 428780182 /nfs/dbraw/zinc/78/01/82/428780182.db2.gz UBNVYZNDXFMIFM-UHFFFAOYSA-N 1 1 301.346 2.809 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000362447655 428748410 /nfs/dbraw/zinc/74/84/10/428748410.db2.gz CQLCCHOERAFLRZ-YOEHRIQHSA-N 1 1 320.389 2.865 20 5 DFBDMO C[C@H]1CCSCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411624630 428824890 /nfs/dbraw/zinc/82/48/90/428824890.db2.gz JPQJKFFAJIWENY-LBPRGKRZSA-N 1 1 323.418 2.751 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000345279631 428828077 /nfs/dbraw/zinc/82/80/77/428828077.db2.gz VXDPLHZASNIDSE-QWHCGFSZSA-N 1 1 320.393 2.816 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363026688 428843778 /nfs/dbraw/zinc/84/37/78/428843778.db2.gz LJDYEHJOJHYGGS-RYUDHWBXSA-N 1 1 323.780 2.605 20 5 DFBDMO COc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000363108596 428859281 /nfs/dbraw/zinc/85/92/81/428859281.db2.gz UINWNWFQEDTUSQ-NWDGAFQWSA-N 1 1 321.377 2.651 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@@H](COC(F)F)C2)cc1[N+](=O)[O-] ZINC000348870681 428865694 /nfs/dbraw/zinc/86/56/94/428865694.db2.gz BRTDCQVAFDNEAR-GFCCVEGCSA-N 1 1 300.305 2.964 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ccncn3)CC2)cs1 ZINC000411824525 428865847 /nfs/dbraw/zinc/86/58/47/428865847.db2.gz GHOQNYHTPYHFOZ-UHFFFAOYSA-N 1 1 304.375 2.826 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375387319 428868975 /nfs/dbraw/zinc/86/89/75/428868975.db2.gz NUCVUIRWQZIQQT-ZBFHGGJFSA-N 1 1 306.362 2.747 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375400747 428875923 /nfs/dbraw/zinc/87/59/23/428875923.db2.gz GJOFXSNPOZNDLB-CYBMUJFWSA-N 1 1 314.345 2.845 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000363198995 428878838 /nfs/dbraw/zinc/87/88/38/428878838.db2.gz MQPZYKMJIDQBEY-MRXNPFEDSA-N 1 1 300.362 2.671 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411902428 428879795 /nfs/dbraw/zinc/87/97/95/428879795.db2.gz HEIDYURGELWULG-UHOFOFEASA-N 1 1 319.405 2.545 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412031948 428914770 /nfs/dbraw/zinc/91/47/70/428914770.db2.gz BLNYMARUNPLXEK-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000375601649 428920842 /nfs/dbraw/zinc/92/08/42/428920842.db2.gz ZLEWYZILJVCNLV-ZDUSSCGKSA-N 1 1 318.402 2.762 20 5 DFBDMO CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224673 428926027 /nfs/dbraw/zinc/92/60/27/428926027.db2.gz ONELPOLZXUBGQD-HUUCEWRRSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224673 428926032 /nfs/dbraw/zinc/92/60/32/428926032.db2.gz ONELPOLZXUBGQD-HUUCEWRRSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224673 428926037 /nfs/dbraw/zinc/92/60/37/428926037.db2.gz ONELPOLZXUBGQD-HUUCEWRRSA-N 1 1 321.421 2.778 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412049441 428928188 /nfs/dbraw/zinc/92/81/88/428928188.db2.gz WNCBHQGDNDOYCU-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412049441 428928190 /nfs/dbraw/zinc/92/81/90/428928190.db2.gz WNCBHQGDNDOYCU-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412058437 428933871 /nfs/dbraw/zinc/93/38/71/428933871.db2.gz VGJIXJTWRSXLHD-OAHLLOKOSA-N 1 1 317.389 2.572 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2[C@@H]1O ZINC000375664769 428935407 /nfs/dbraw/zinc/93/54/07/428935407.db2.gz JOPJDMFSNIJKNZ-MSOLQXFVSA-N 1 1 312.369 2.727 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412082662 428947525 /nfs/dbraw/zinc/94/75/25/428947525.db2.gz MVBZCYMKKPECDD-JSGCOSHPSA-N 1 1 308.378 2.586 20 5 DFBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000412102282 428956273 /nfs/dbraw/zinc/95/62/73/428956273.db2.gz KBFXHHDCSLOIKS-OAHLLOKOSA-N 1 1 310.325 2.509 20 5 DFBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000412102282 428956279 /nfs/dbraw/zinc/95/62/79/428956279.db2.gz KBFXHHDCSLOIKS-OAHLLOKOSA-N 1 1 310.325 2.509 20 5 DFBDMO CC[N@@H+](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CC1 ZINC000349322800 428962040 /nfs/dbraw/zinc/96/20/40/428962040.db2.gz DCNWGKCCOBSJAM-UHFFFAOYSA-N 1 1 319.405 2.816 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766763 428966004 /nfs/dbraw/zinc/96/60/04/428966004.db2.gz XTQUGMXOLUPMBN-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766763 428966006 /nfs/dbraw/zinc/96/60/06/428966006.db2.gz XTQUGMXOLUPMBN-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000375793038 428976599 /nfs/dbraw/zinc/97/65/99/428976599.db2.gz NLNPSWIKGCILFQ-INIZCTEOSA-N 1 1 315.377 2.640 20 5 DFBDMO Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000375793038 428976604 /nfs/dbraw/zinc/97/66/04/428976604.db2.gz NLNPSWIKGCILFQ-INIZCTEOSA-N 1 1 315.377 2.640 20 5 DFBDMO CCc1ccc([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000433081103 428992699 /nfs/dbraw/zinc/99/26/99/428992699.db2.gz FWVKDCDSBYOSBQ-HNNXBMFYSA-N 1 1 314.389 2.880 20 5 DFBDMO CCn1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000451889002 429007847 /nfs/dbraw/zinc/00/78/47/429007847.db2.gz KVCZEBKIFYVJQV-NSHDSACASA-N 1 1 304.350 2.671 20 5 DFBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCSC1 ZINC000433196763 429009940 /nfs/dbraw/zinc/00/99/40/429009940.db2.gz MPBSFOSGVBUVFQ-INIZCTEOSA-N 1 1 324.446 2.981 20 5 DFBDMO COC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000452044673 429042367 /nfs/dbraw/zinc/04/23/67/429042367.db2.gz WRQOSUAKZXBICE-LBPRGKRZSA-N 1 1 312.341 2.743 20 5 DFBDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000452044673 429042370 /nfs/dbraw/zinc/04/23/70/429042370.db2.gz WRQOSUAKZXBICE-LBPRGKRZSA-N 1 1 312.341 2.743 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000374355420 274897764 /nfs/dbraw/zinc/89/77/64/274897764.db2.gz XWJWHWXJTCMEBZ-SNVBAGLBSA-N 1 1 306.753 2.976 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494705321 429146393 /nfs/dbraw/zinc/14/63/93/429146393.db2.gz APLLBSJMGSRSLU-OAHLLOKOSA-N 1 1 320.389 2.865 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000376617894 429148311 /nfs/dbraw/zinc/14/83/11/429148311.db2.gz KRUVQJBAAFVYCR-ZDUSSCGKSA-N 1 1 317.389 2.650 20 5 DFBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000434982006 429117008 /nfs/dbraw/zinc/11/70/08/429117008.db2.gz JGFTYUFGRWBSDN-LSDHHAIUSA-N 1 1 324.425 2.707 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@]3(CCCCO3)C2)c1 ZINC000376466984 429117247 /nfs/dbraw/zinc/11/72/47/429117247.db2.gz BRISAMVJQVTHHO-SJORKVTESA-N 1 1 320.389 2.663 20 5 DFBDMO O=C1[C@H]([N@H+]2CCC3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000123342966 275029095 /nfs/dbraw/zinc/02/90/95/275029095.db2.gz LKDOPWXJFKJGIR-OAHLLOKOSA-N 1 1 315.373 2.576 20 5 DFBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](C3CCCC3)C2)nc2sccn21 ZINC000301187572 275032807 /nfs/dbraw/zinc/03/28/07/275032807.db2.gz KRZLGTIEWSTFSZ-SNVBAGLBSA-N 1 1 321.406 2.733 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000269651898 275033780 /nfs/dbraw/zinc/03/37/80/275033780.db2.gz QRDZTQHSSJXWAR-SECBINFHSA-N 1 1 308.288 2.980 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000364330143 429182950 /nfs/dbraw/zinc/18/29/50/429182950.db2.gz URYGOYSPKBMTRK-CQSZACIVSA-N 1 1 316.361 2.637 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H](O)C4(CC4)C3)o2)c1 ZINC000364447196 429206404 /nfs/dbraw/zinc/20/64/04/429206404.db2.gz KXMFDWWZWVZISX-INIZCTEOSA-N 1 1 314.341 2.812 20 5 DFBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000489343042 429231688 /nfs/dbraw/zinc/23/16/88/429231688.db2.gz ZJCQHAYERAFIGL-INIZCTEOSA-N 1 1 319.405 2.569 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000364416335 429198735 /nfs/dbraw/zinc/19/87/35/429198735.db2.gz LMSFZZMGAYZQAW-WDEREUQCSA-N 1 1 323.780 2.605 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)C2(C)CCCC2)c([N+](=O)[O-])c1 ZINC000489852025 429264979 /nfs/dbraw/zinc/26/49/79/429264979.db2.gz ZAHKQQVIIYRWLN-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425554848 429321987 /nfs/dbraw/zinc/32/19/87/429321987.db2.gz WYMBDORIIWLSGY-NWDGAFQWSA-N 1 1 301.350 2.572 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CC2CC2)CC1 ZINC000449088901 429329921 /nfs/dbraw/zinc/32/99/21/429329921.db2.gz JBIMDHGCKRHNSF-CQSZACIVSA-N 1 1 317.433 2.990 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425513674 429314434 /nfs/dbraw/zinc/31/44/34/429314434.db2.gz OKZAXSSZVBIAAR-HIFRSBDPSA-N 1 1 315.377 2.893 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426462902 429392177 /nfs/dbraw/zinc/39/21/77/429392177.db2.gz WIYWJDZBUUWLGG-IUODEOHRSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1sc(C(=O)NCC[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000457083057 429394403 /nfs/dbraw/zinc/39/44/03/429394403.db2.gz WYMYSBQUCQZGII-UHFFFAOYSA-N 1 1 311.407 2.569 20 5 DFBDMO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000449358298 429397392 /nfs/dbraw/zinc/39/73/92/429397392.db2.gz FIRPTECNACLCJK-BXKDBHETSA-N 1 1 315.320 2.945 20 5 DFBDMO CCC[N@H+]1CCCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000365788951 429372274 /nfs/dbraw/zinc/37/22/74/429372274.db2.gz XQNGPUMULRTAFQ-UHFFFAOYSA-N 1 1 319.405 2.715 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000365838629 429384116 /nfs/dbraw/zinc/38/41/16/429384116.db2.gz RMOZYDARJZUIFJ-ZDUSSCGKSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)c(Cl)c1 ZINC000365838629 429384120 /nfs/dbraw/zinc/38/41/20/429384120.db2.gz RMOZYDARJZUIFJ-ZDUSSCGKSA-N 1 1 306.753 2.892 20 5 DFBDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365852584 429387545 /nfs/dbraw/zinc/38/75/45/429387545.db2.gz AGYJNASOZVPPTD-HOCLYGCPSA-N 1 1 314.389 2.978 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC2(CCC2)C1 ZINC000366338941 429447796 /nfs/dbraw/zinc/44/77/96/429447796.db2.gz IVJPDJXGXZJLRY-AWEZNQCLSA-N 1 1 320.389 2.601 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000366854567 429527384 /nfs/dbraw/zinc/52/73/84/429527384.db2.gz QFPHLTDSXUHDQU-INIZCTEOSA-N 1 1 304.390 2.886 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000449676376 429476771 /nfs/dbraw/zinc/47/67/71/429476771.db2.gz GRPWZRSJVNYXGD-XJKSGUPXSA-N 1 1 322.405 2.690 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000519732787 429483564 /nfs/dbraw/zinc/48/35/64/429483564.db2.gz UWRNYGNWFGONRM-JSGCOSHPSA-N 1 1 306.410 2.773 20 5 DFBDMO COc1cc(C[NH2+]Cc2cnc(C)cc2C)c([N+](=O)[O-])cc1O ZINC000449736520 429491181 /nfs/dbraw/zinc/49/11/81/429491181.db2.gz VKZJXYPEWCSZOB-UHFFFAOYSA-N 1 1 317.345 2.611 20 5 DFBDMO C[C@H]1CC2(CCC2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366753108 429507907 /nfs/dbraw/zinc/50/79/07/429507907.db2.gz XENFRXDGFBSMGL-DZGCQCFKSA-N 1 1 320.389 2.599 20 5 DFBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000428996297 429569886 /nfs/dbraw/zinc/56/98/86/429569886.db2.gz QVHJPHYTHJMSDS-PBFPGSCMSA-N 1 1 321.396 2.896 20 5 DFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 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NYBYVBWGGACGOK-RISCZKNCSA-N 1 1 319.361 2.983 20 5 DFBDMO CCO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000451542668 429848714 /nfs/dbraw/zinc/84/87/14/429848714.db2.gz NYBYVBWGGACGOK-RISCZKNCSA-N 1 1 319.361 2.983 20 5 DFBDMO Cc1cnn(CC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451554099 429854071 /nfs/dbraw/zinc/85/40/71/429854071.db2.gz ZFSYDUOLQFHCDT-MRXNPFEDSA-N 1 1 314.389 2.979 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451559477 429854667 /nfs/dbraw/zinc/85/46/67/429854667.db2.gz UFSNCTTUSPZKTN-HNNXBMFYSA-N 1 1 308.378 2.850 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000451567824 429855921 /nfs/dbraw/zinc/85/59/21/429855921.db2.gz QQRAAPKBZSXKEM-OAHLLOKOSA-N 1 1 308.378 2.850 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368874044 429899186 /nfs/dbraw/zinc/89/91/86/429899186.db2.gz CAWOZLJRBKNEAK-DBLORFJXSA-N 1 1 301.390 2.824 20 5 DFBDMO 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20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000276661955 290234118 /nfs/dbraw/zinc/23/41/18/290234118.db2.gz SBMXHNVZHBRTAE-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO COc1cc(NC[C@H]2CCCn3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000370842090 295468512 /nfs/dbraw/zinc/46/85/12/295468512.db2.gz DCKXJEMBHDBUNJ-LLVKDONJSA-N 1 1 302.334 2.789 20 5 DFBDMO CC(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438485746 297094894 /nfs/dbraw/zinc/09/48/94/297094894.db2.gz FHDISPXMSDIVFV-CHWSQXEVSA-N 1 1 305.378 2.900 20 5 DFBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439690219 297135261 /nfs/dbraw/zinc/13/52/61/297135261.db2.gz AIXGUFJZCMLSDM-INIZCTEOSA-N 1 1 319.405 2.835 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccncc2OCC(F)F)cc1 ZINC000441342585 297179857 /nfs/dbraw/zinc/17/98/57/297179857.db2.gz ZMCJYXASLSQJMR-UHFFFAOYSA-N 1 1 323.299 2.924 20 5 DFBDMO CC[C@@]1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000442893840 297210599 /nfs/dbraw/zinc/21/05/99/297210599.db2.gz YEZVACPKXKOLJI-INIZCTEOSA-N 1 1 308.378 2.865 20 5 DFBDMO COC1CCC([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444649235 297243310 /nfs/dbraw/zinc/24/33/10/297243310.db2.gz JLPYCSZOWOZBEM-UHFFFAOYSA-N 1 1 318.377 2.861 20 5 DFBDMO CSC[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653065 297243389 /nfs/dbraw/zinc/24/33/89/297243389.db2.gz KPZMKPPQLDSNOV-NSHDSACASA-N 1 1 306.391 2.799 20 5 DFBDMO CSC[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653065 297243391 /nfs/dbraw/zinc/24/33/91/297243391.db2.gz KPZMKPPQLDSNOV-NSHDSACASA-N 1 1 306.391 2.799 20 5 DFBDMO COC[C@@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444680656 297244908 /nfs/dbraw/zinc/24/49/08/297244908.db2.gz GOECJUKIMNGIGD-GFCCVEGCSA-N 1 1 318.377 2.720 20 5 DFBDMO CCC[C@]1(CO)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000444768578 297249433 /nfs/dbraw/zinc/24/94/33/297249433.db2.gz UVSBMMPKHGKRMO-MRXNPFEDSA-N 1 1 308.378 2.601 20 5 DFBDMO CN(C)C1(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000445861254 297269444 /nfs/dbraw/zinc/26/94/44/297269444.db2.gz KVSQZTUMLJQKGH-UHFFFAOYSA-N 1 1 321.421 2.780 20 5 DFBDMO CN(CCCOc1ccc([N+](=O)[O-])cc1)CC1([NH+](C)C)CCC1 ZINC000445861254 297269446 /nfs/dbraw/zinc/26/94/46/297269446.db2.gz KVSQZTUMLJQKGH-UHFFFAOYSA-N 1 1 321.421 2.780 20 5 DFBDMO CCn1nnc(C)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000449016747 297391335 /nfs/dbraw/zinc/39/13/35/297391335.db2.gz WPUIKOQBINWPMQ-UHFFFAOYSA-N 1 1 317.393 2.925 20 5 DFBDMO CCn1nnc(C)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000449016747 297391336 /nfs/dbraw/zinc/39/13/36/297391336.db2.gz WPUIKOQBINWPMQ-UHFFFAOYSA-N 1 1 317.393 2.925 20 5 DFBDMO COc1nccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000453259684 298077181 /nfs/dbraw/zinc/07/71/81/298077181.db2.gz XDWPJCAXJRVMKR-NSHDSACASA-N 1 1 302.334 2.553 20 5 DFBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531656700 301102710 /nfs/dbraw/zinc/10/27/10/301102710.db2.gz NINUZJPAKDBYPW-HIFRSBDPSA-N 1 1 305.378 2.650 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000532299737 301143454 /nfs/dbraw/zinc/14/34/54/301143454.db2.gz RFFVBKBIKMOCAD-CYBMUJFWSA-N 1 1 307.394 2.883 20 5 DFBDMO CCOc1ccc([C@@H](C)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000536625688 301283808 /nfs/dbraw/zinc/28/38/08/301283808.db2.gz YGYUZRPLLAFTOU-UONOGXRCSA-N 1 1 321.421 2.986 20 5 DFBDMO CCOc1ccc([C@@H](C)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000536625688 301283811 /nfs/dbraw/zinc/28/38/11/301283811.db2.gz YGYUZRPLLAFTOU-UONOGXRCSA-N 1 1 321.421 2.986 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCN1CCCC1=O ZINC000538712034 301329147 /nfs/dbraw/zinc/32/91/47/301329147.db2.gz WNFWCBLIJYMZOZ-CYBMUJFWSA-N 1 1 305.378 2.518 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])[C@H]2C1 ZINC000540903919 301373850 /nfs/dbraw/zinc/37/38/50/301373850.db2.gz JSMKRSLGEQBLEY-WBMJQRKESA-N 1 1 312.373 2.673 20 5 DFBDMO [NH3+][C@@H]1CCC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000563820619 302100494 /nfs/dbraw/zinc/10/04/94/302100494.db2.gz IZHFDTPMEZOPTN-NEPJUHHUSA-N 1 1 317.311 2.973 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CCO)c1ccco1 ZINC000565216569 302208465 /nfs/dbraw/zinc/20/84/65/302208465.db2.gz OQVMYUDHVBYILE-KGLIPLIRSA-N 1 1 302.330 2.888 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565447075 302225542 /nfs/dbraw/zinc/22/55/42/302225542.db2.gz AEOWGZCCOQQVPR-UONOGXRCSA-N 1 1 321.421 2.935 20 5 DFBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182207867 316090033 /nfs/dbraw/zinc/09/00/33/316090033.db2.gz REFDPUZOAXQQII-KFWWJZLASA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000446486490 317013178 /nfs/dbraw/zinc/01/31/78/317013178.db2.gz WGMKHSGENXJUHI-RISCZKNCSA-N 1 1 306.366 2.507 20 5 DFBDMO COc1ccc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000449629862 317045388 /nfs/dbraw/zinc/04/53/88/317045388.db2.gz GRXNBUHBLWBONW-CVEARBPZSA-N 1 1 320.389 2.993 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000449673031 317052168 /nfs/dbraw/zinc/05/21/68/317052168.db2.gz NSZKKWHCEWZOQT-YPMHNXCESA-N 1 1 318.295 2.648 20 5 DFBDMO CC(C)[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000488047958 317363145 /nfs/dbraw/zinc/36/31/45/317363145.db2.gz XHANDBXQSYUOIL-CQSZACIVSA-N 1 1 318.377 2.508 20 5 DFBDMO C[C@@H]1C[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000488085328 317365847 /nfs/dbraw/zinc/36/58/47/317365847.db2.gz SFOOUAQLYBBHFK-VXGBXAGGSA-N 1 1 312.373 2.602 20 5 DFBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@H+]2CCCC[C@H]2C1 ZINC000572829260 318005288 /nfs/dbraw/zinc/00/52/88/318005288.db2.gz NODLRTINMUPURO-ZDUSSCGKSA-N 1 1 312.373 2.818 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576204914 318110418 /nfs/dbraw/zinc/11/04/18/318110418.db2.gz KXDAUZPZGGZXGU-QWHCGFSZSA-N 1 1 307.394 2.545 20 5 DFBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000579907051 318361480 /nfs/dbraw/zinc/36/14/80/318361480.db2.gz WQIMNSXOUJALDE-DOMZBBRYSA-N 1 1 317.389 2.707 20 5 DFBDMO CC(C)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000192850370 323248169 /nfs/dbraw/zinc/24/81/69/323248169.db2.gz QJIZKBDZJKXPOU-HNNXBMFYSA-N 1 1 310.394 2.701 20 5 DFBDMO Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000382452637 323299349 /nfs/dbraw/zinc/29/93/49/323299349.db2.gz GQXHFGLSQLAHCY-NWDGAFQWSA-N 1 1 300.362 2.555 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000389805081 323337030 /nfs/dbraw/zinc/33/70/30/323337030.db2.gz AFUPIEXAJNGLPW-BBRMVZONSA-N 1 1 312.373 2.922 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000580465411 323390944 /nfs/dbraw/zinc/39/09/44/323390944.db2.gz HPNJKMSTCCBXFR-ZOBUZTSGSA-N 1 1 301.390 2.799 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000580465411 323390949 /nfs/dbraw/zinc/39/09/49/323390949.db2.gz HPNJKMSTCCBXFR-ZOBUZTSGSA-N 1 1 301.390 2.799 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000584467358 337347296 /nfs/dbraw/zinc/34/72/96/337347296.db2.gz IVNDKAWHUREIQO-GOEBONIOSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1cc(C[NH+]2CCC(CF)CC2)c([N+](=O)[O-])cc1OC ZINC000294970282 533799771 /nfs/dbraw/zinc/79/97/71/533799771.db2.gz FQDVQAHJWKAZGO-UHFFFAOYSA-N 1 1 312.341 2.794 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000332454865 533998232 /nfs/dbraw/zinc/99/82/32/533998232.db2.gz GGOVBWRKPSNFLG-GJZGRUSLSA-N 1 1 319.405 2.532 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000302140135 534247048 /nfs/dbraw/zinc/24/70/48/534247048.db2.gz FELBGUZHXQJYOK-FZMZJTMJSA-N 1 1 321.377 2.522 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305834140 534347160 /nfs/dbraw/zinc/34/71/60/534347160.db2.gz OYKXZODDCYDMQO-JOYOIKCWSA-N 1 1 306.284 2.819 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305834140 534347165 /nfs/dbraw/zinc/34/71/65/534347165.db2.gz OYKXZODDCYDMQO-JOYOIKCWSA-N 1 1 306.284 2.819 20 5 DFBDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000368608157 525291540 /nfs/dbraw/zinc/29/15/40/525291540.db2.gz LXISTTJEZVBHNE-OCCSQVGLSA-N 1 1 300.362 2.911 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000156019463 525569055 /nfs/dbraw/zinc/56/90/55/525569055.db2.gz ZNYNKWUBNFPDKY-OCCSQVGLSA-N 1 1 318.377 2.604 20 5 DFBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000365029259 527340759 /nfs/dbraw/zinc/34/07/59/527340759.db2.gz XCZWNQZNRCXAQZ-CQSZACIVSA-N 1 1 312.373 2.818 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000157774637 527413813 /nfs/dbraw/zinc/41/38/13/527413813.db2.gz BWQCATQYLUENKO-QGZVFWFLSA-N 1 1 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398558937 /nfs/dbraw/zinc/55/89/37/398558937.db2.gz RIOQHPXJTXIEQJ-LLVKDONJSA-N 1 1 324.402 2.566 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnn1CC1CC1 ZINC000597131127 398572003 /nfs/dbraw/zinc/57/20/03/398572003.db2.gz WEDVKWNHBCGJSJ-UHFFFAOYSA-N 1 1 314.389 2.876 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+](C)CC(C)C ZINC000593209812 398572620 /nfs/dbraw/zinc/57/26/20/398572620.db2.gz IAAYFMBZSRAUFO-UHFFFAOYSA-N 1 1 307.394 2.611 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000092470856 398578967 /nfs/dbraw/zinc/57/89/67/398578967.db2.gz HTNRHAYAUGBDDO-GFCCVEGCSA-N 1 1 302.330 2.812 20 5 DFBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000279955115 215268621 /nfs/dbraw/zinc/26/86/21/215268621.db2.gz XXMXUYFVUGVUGR-QEORTHHSSA-N 1 1 320.389 2.672 20 5 DFBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000279955115 215268625 /nfs/dbraw/zinc/26/86/25/215268625.db2.gz XXMXUYFVUGVUGR-QEORTHHSSA-N 1 1 320.389 2.672 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000092621901 398588561 /nfs/dbraw/zinc/58/85/61/398588561.db2.gz OQAXVCLERJICQO-NSHDSACASA-N 1 1 311.357 2.886 20 5 DFBDMO CCOC(=O)c1c[nH+]ccc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000279972518 215282142 /nfs/dbraw/zinc/28/21/42/215282142.db2.gz DLIGQWMPGOFBIH-UHFFFAOYSA-N 1 1 315.329 2.803 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000590083189 398594359 /nfs/dbraw/zinc/59/43/59/398594359.db2.gz DXXOMLZKJFYPGV-BXUZGUMPSA-N 1 1 300.362 2.895 20 5 DFBDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000072697651 398630558 /nfs/dbraw/zinc/63/05/58/398630558.db2.gz NAFVMPOYIMBZKB-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000093389619 398635662 /nfs/dbraw/zinc/63/56/62/398635662.db2.gz CIOBHXXEKDDNQY-UHFFFAOYSA-N 1 1 314.385 2.940 20 5 DFBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000171951240 198014507 /nfs/dbraw/zinc/01/45/07/198014507.db2.gz FYRAMAGNFGZMAL-LLVKDONJSA-N 1 1 309.366 2.520 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459751617 299182106 /nfs/dbraw/zinc/18/21/06/299182106.db2.gz KKTFMYQQYNQJOW-DOTOQJQBSA-N 1 1 304.390 2.968 20 5 DFBDMO COc1ccc(CNCCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593646359 398664753 /nfs/dbraw/zinc/66/47/53/398664753.db2.gz NWSYPXJVUUAOIL-UHFFFAOYSA-N 1 1 309.410 2.671 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000597603534 398667691 /nfs/dbraw/zinc/66/76/91/398667691.db2.gz DHBFQPNYCHUGDC-ZFWWWQNUSA-N 1 1 319.405 2.641 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(C)(C)C1 ZINC000072827756 191234582 /nfs/dbraw/zinc/23/45/82/191234582.db2.gz MXZUDESQHHKILS-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(C)(C)C1 ZINC000072827318 191235426 /nfs/dbraw/zinc/23/54/26/191235426.db2.gz CFDPDIYCAAZFNW-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072976477 191260528 /nfs/dbraw/zinc/26/05/28/191260528.db2.gz XNNFPBSZQGFPMU-AWEZNQCLSA-N 1 1 308.378 2.852 20 5 DFBDMO O=C(C[N@@H+](C1CC1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000103466525 398684841 /nfs/dbraw/zinc/68/48/41/398684841.db2.gz KDWCXWQGYVKOLK-UHFFFAOYSA-N 1 1 303.362 2.940 20 5 DFBDMO CCC(CC)[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000073666959 398692890 /nfs/dbraw/zinc/69/28/90/398692890.db2.gz VRIQZYZYGZATDK-OAHLLOKOSA-N 1 1 322.409 2.539 20 5 DFBDMO Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000174186468 198302836 /nfs/dbraw/zinc/30/28/36/198302836.db2.gz ZJSKIXSNUNEXSF-AGUYFDCRSA-N 1 1 317.389 2.648 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597853399 398704793 /nfs/dbraw/zinc/70/47/93/398704793.db2.gz AAAMBAJDFMGAFO-CYBMUJFWSA-N 1 1 319.405 2.753 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000597853563 398704815 /nfs/dbraw/zinc/70/48/15/398704815.db2.gz CDUCSUJOTFWADY-JTQLQIEISA-N 1 1 311.407 2.507 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597859985 398706259 /nfs/dbraw/zinc/70/62/59/398706259.db2.gz JEZUDNMYLVJZCB-GFCCVEGCSA-N 1 1 305.378 2.506 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000046374646 398705468 /nfs/dbraw/zinc/70/54/68/398705468.db2.gz ATEMJHHPZOGRHW-LBPRGKRZSA-N 1 1 306.366 2.591 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000046374631 398705538 /nfs/dbraw/zinc/70/55/38/398705538.db2.gz VZUAURCIQZAEIT-GFCCVEGCSA-N 1 1 306.366 2.591 20 5 DFBDMO O=C(CC[N@H+]1CCC[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591013091 398714638 /nfs/dbraw/zinc/71/46/38/398714638.db2.gz JSKSUHQWRMRERH-HNNXBMFYSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1csnn1 ZINC000591053383 398719539 /nfs/dbraw/zinc/71/95/39/398719539.db2.gz ISVRXZCCKYGFCE-JTQLQIEISA-N 1 1 308.363 2.566 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061808 398720181 /nfs/dbraw/zinc/72/01/81/398720181.db2.gz JESBRSAAMRIRMW-CQSZACIVSA-N 1 1 317.389 2.964 20 5 DFBDMO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597921462 398721152 /nfs/dbraw/zinc/72/11/52/398721152.db2.gz FQVHUMAVUKFHAQ-TZMCWYRMSA-N 1 1 319.405 2.687 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597923740 398722310 /nfs/dbraw/zinc/72/23/10/398722310.db2.gz OYWLOZINAGFGSD-GFCCVEGCSA-N 1 1 305.378 2.506 20 5 DFBDMO CC[N@@H+]1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000591149550 398732475 /nfs/dbraw/zinc/73/24/75/398732475.db2.gz GJXLGSHBLPBEGR-NHYWBVRUSA-N 1 1 300.362 2.895 20 5 DFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594056134 398733794 /nfs/dbraw/zinc/73/37/94/398733794.db2.gz RDPLVQAXFIOTCX-HUUCEWRRSA-N 1 1 318.377 2.733 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000276982731 213217618 /nfs/dbraw/zinc/21/76/18/213217618.db2.gz YNIPMQPMYUOBFK-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO C[N@@H+](CCO)C1(CNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000074278015 398736381 /nfs/dbraw/zinc/73/63/81/398736381.db2.gz VDOIOIMOAOXNGZ-UHFFFAOYSA-N 1 1 307.394 2.634 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@H]2C1 ZINC000276663570 283079110 /nfs/dbraw/zinc/07/91/10/283079110.db2.gz SBMXHNVZHBRTAE-WBMJQRKESA-N 1 1 312.373 2.673 20 5 DFBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000598041425 398741990 /nfs/dbraw/zinc/74/19/90/398741990.db2.gz UIRLHXHYXUXJNB-CQSZACIVSA-N 1 1 319.405 2.768 20 5 DFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269353187 283094940 /nfs/dbraw/zinc/09/49/40/283094940.db2.gz GVQMCCFFIILNGM-CMPLNLGQSA-N 1 1 310.785 2.564 20 5 DFBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047676710 398757511 /nfs/dbraw/zinc/75/75/11/398757511.db2.gz HZWXFGJIQGHJKY-UHFFFAOYSA-N 1 1 322.752 2.573 20 5 DFBDMO Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591436451 398759954 /nfs/dbraw/zinc/75/99/54/398759954.db2.gz AFQSQXZEKUUEPH-MLGOLLRUSA-N 1 1 312.373 2.640 20 5 DFBDMO Cc1sc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594201007 398764140 /nfs/dbraw/zinc/76/41/40/398764140.db2.gz MGRISQJINMCNFH-VXGBXAGGSA-N 1 1 323.418 2.711 20 5 DFBDMO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594202810 398764893 /nfs/dbraw/zinc/76/48/93/398764893.db2.gz SGBYYTXALXRXHK-HUUCEWRRSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594202811 398765015 /nfs/dbraw/zinc/76/50/15/398765015.db2.gz SGBYYTXALXRXHK-LSDHHAIUSA-N 1 1 317.389 2.650 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000074772844 398765839 /nfs/dbraw/zinc/76/58/39/398765839.db2.gz HNZVFLARSHOTSG-ZDUSSCGKSA-N 1 1 307.369 2.902 20 5 DFBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000081290821 192246119 /nfs/dbraw/zinc/24/61/19/192246119.db2.gz RFEVWJJIWQCTRF-CYBMUJFWSA-N 1 1 323.418 2.651 20 5 DFBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000081290663 192246239 /nfs/dbraw/zinc/24/62/39/192246239.db2.gz VRFRNHKKUZNWBS-OAHLLOKOSA-N 1 1 317.389 2.589 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000591510523 398768890 /nfs/dbraw/zinc/76/88/90/398768890.db2.gz YLZOGFVNLIFPKQ-KGLIPLIRSA-N 1 1 317.389 2.520 20 5 DFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNC1CC1 ZINC000591577238 398772901 /nfs/dbraw/zinc/77/29/01/398772901.db2.gz FVAGLHPFTDRDRQ-GFCCVEGCSA-N 1 1 309.435 2.807 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547647 192287352 /nfs/dbraw/zinc/28/73/52/192287352.db2.gz SLYZUNWAYLFPMQ-HNNXBMFYSA-N 1 1 321.421 2.767 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547649 192288373 /nfs/dbraw/zinc/28/83/73/192288373.db2.gz SLYZUNWAYLFPMQ-OAHLLOKOSA-N 1 1 321.421 2.767 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000134422608 283185351 /nfs/dbraw/zinc/18/53/51/283185351.db2.gz IHUJPAXUCQNKQA-HNNXBMFYSA-N 1 1 310.394 2.703 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000120774735 398784179 /nfs/dbraw/zinc/78/41/79/398784179.db2.gz ANBKLSUJAWGWAQ-STQMWFEESA-N 1 1 322.409 2.598 20 5 DFBDMO C[N@@H+](CCC1CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000135264712 283213493 /nfs/dbraw/zinc/21/34/93/283213493.db2.gz JLFKNQAFUHNJBM-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225878 283211428 /nfs/dbraw/zinc/21/14/28/283211428.db2.gz LLIQDCSRIWTZOW-MRXNPFEDSA-N 1 1 322.405 2.593 20 5 DFBDMO CCOc1cc(CN2CC[N@@H+](C)C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000591849398 398794647 /nfs/dbraw/zinc/79/46/47/398794647.db2.gz NMVNDOBFUOXTMO-CQSZACIVSA-N 1 1 307.394 2.520 20 5 DFBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)CC(C)(C)O ZINC000276917511 213174610 /nfs/dbraw/zinc/17/46/10/213174610.db2.gz OKSHCMQGLJYRPX-UHFFFAOYSA-N 1 1 310.394 2.976 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594522058 398815943 /nfs/dbraw/zinc/81/59/43/398815943.db2.gz XRWDPKJAGCHXBR-CVEARBPZSA-N 1 1 307.369 2.840 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594522058 398815946 /nfs/dbraw/zinc/81/59/46/398815946.db2.gz XRWDPKJAGCHXBR-CVEARBPZSA-N 1 1 307.369 2.840 20 5 DFBDMO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075677495 398816756 /nfs/dbraw/zinc/81/67/56/398816756.db2.gz CTADZEHVABIIGA-STQMWFEESA-N 1 1 305.378 2.646 20 5 DFBDMO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075677495 398816758 /nfs/dbraw/zinc/81/67/58/398816758.db2.gz CTADZEHVABIIGA-STQMWFEESA-N 1 1 305.378 2.646 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000075721899 398820099 /nfs/dbraw/zinc/82/00/99/398820099.db2.gz PPHLOBYIZABZGW-SNVBAGLBSA-N 1 1 317.305 2.610 20 5 DFBDMO CC(C)[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nncn1C ZINC000594607778 398830325 /nfs/dbraw/zinc/83/03/25/398830325.db2.gz ZKUCIKPODBTDCC-ZFWWWQNUSA-N 1 1 315.377 2.698 20 5 DFBDMO CC(C)[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nncn1C ZINC000594607777 398830754 /nfs/dbraw/zinc/83/07/54/398830754.db2.gz ZKUCIKPODBTDCC-UKRRQHHQSA-N 1 1 315.377 2.698 20 5 DFBDMO O=C(C[NH+]1C[C@@H]2CCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000152886866 283343838 /nfs/dbraw/zinc/34/38/38/283343838.db2.gz FNLNVLQKDGERSS-QWRGUYRKSA-N 1 1 323.780 2.919 20 5 DFBDMO CCOC(=O)c1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000467780197 299274383 /nfs/dbraw/zinc/27/43/83/299274383.db2.gz MHDVFXWTTBBTLM-DGCLKSJQSA-N 1 1 321.377 2.666 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000052689391 398848827 /nfs/dbraw/zinc/84/88/27/398848827.db2.gz MQOHLIYZLKUNFE-NOLJZWGESA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000052689391 398848830 /nfs/dbraw/zinc/84/88/30/398848830.db2.gz MQOHLIYZLKUNFE-NOLJZWGESA-N 1 1 318.373 2.901 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000076329617 398852036 /nfs/dbraw/zinc/85/20/36/398852036.db2.gz OFWSDMONVLYQDU-AWEZNQCLSA-N 1 1 318.377 2.605 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)Cc1ccccc1)C2 ZINC000153138914 283354562 /nfs/dbraw/zinc/35/45/62/283354562.db2.gz KBPQKDBAUCFYDV-INIZCTEOSA-N 1 1 312.369 2.557 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cccnc2N2CCCC2)cs1 ZINC000594956152 398881363 /nfs/dbraw/zinc/88/13/63/398881363.db2.gz FXPUGSFRALTJJU-UHFFFAOYSA-N 1 1 318.402 2.941 20 5 DFBDMO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594985219 398887233 /nfs/dbraw/zinc/88/72/33/398887233.db2.gz ZIXODSCBWJESLX-ZDUSSCGKSA-N 1 1 309.385 2.944 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000595009040 398891210 /nfs/dbraw/zinc/89/12/10/398891210.db2.gz BCWJMCXCNOBEFW-MKBNYLNASA-N 1 1 319.405 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000595009040 398891213 /nfs/dbraw/zinc/89/12/13/398891213.db2.gz BCWJMCXCNOBEFW-MKBNYLNASA-N 1 1 319.405 2.737 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+]1CCCC[C@H]1C ZINC000172823542 283386874 /nfs/dbraw/zinc/38/68/74/283386874.db2.gz YZBPGKQPHLDESK-GFCCVEGCSA-N 1 1 309.414 2.796 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccccc1CO ZINC000595010391 398890890 /nfs/dbraw/zinc/89/08/90/398890890.db2.gz BNSHKAVJFCRPIB-LBPRGKRZSA-N 1 1 316.357 2.947 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000595018320 398892341 /nfs/dbraw/zinc/89/23/41/398892341.db2.gz MINFGGKEFRNAKU-AGIUHOORSA-N 1 1 319.405 2.879 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000595018320 398892345 /nfs/dbraw/zinc/89/23/45/398892345.db2.gz MINFGGKEFRNAKU-AGIUHOORSA-N 1 1 319.405 2.879 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000595036121 398895879 /nfs/dbraw/zinc/89/58/79/398895879.db2.gz PJTALCGXQGJSKV-PRHODGIISA-N 1 1 322.283 2.567 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000595036120 398895924 /nfs/dbraw/zinc/89/59/24/398895924.db2.gz PJTALCGXQGJSKV-PELKAZGASA-N 1 1 322.283 2.567 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000470184117 299292955 /nfs/dbraw/zinc/29/29/55/299292955.db2.gz FUWPIMHYQRXKOF-UZGISAJGSA-N 1 1 317.389 2.728 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000598994331 398905028 /nfs/dbraw/zinc/90/50/28/398905028.db2.gz KEKPIBANQVFGAR-AWEZNQCLSA-N 1 1 321.421 2.815 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000470171961 299293696 /nfs/dbraw/zinc/29/36/96/299293696.db2.gz QRAWCVVGEDSJCF-UKTHLTGXSA-N 1 1 319.405 2.845 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000470171961 299293697 /nfs/dbraw/zinc/29/36/97/299293697.db2.gz QRAWCVVGEDSJCF-UKTHLTGXSA-N 1 1 319.405 2.845 20 5 DFBDMO CC[C@@]1(CO)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187620231 200135264 /nfs/dbraw/zinc/13/52/64/200135264.db2.gz BSGIHPQRRXYOGG-QGZVFWFLSA-N 1 1 322.405 2.848 20 5 DFBDMO CC[C@]1(CO)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187620212 200135878 /nfs/dbraw/zinc/13/58/78/200135878.db2.gz BSGIHPQRRXYOGG-KRWDZBQOSA-N 1 1 322.405 2.848 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)C1 ZINC000599078796 398917773 /nfs/dbraw/zinc/91/77/73/398917773.db2.gz BGOXCIYHJSDTPE-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000188101789 200193701 /nfs/dbraw/zinc/19/37/01/200193701.db2.gz LGAJRMBGMIAAJY-LGVMCUBASA-N 1 1 318.373 2.739 20 5 DFBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000595300197 398918476 /nfs/dbraw/zinc/91/84/76/398918476.db2.gz BBUZQLJDGNMAHM-GFCCVEGCSA-N 1 1 318.352 2.847 20 5 DFBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599093456 398920115 /nfs/dbraw/zinc/92/01/15/398920115.db2.gz TWAJTVAFGADUGN-CYBMUJFWSA-N 1 1 300.362 2.673 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCO)CCc1ccccc1 ZINC000595317131 398921957 /nfs/dbraw/zinc/92/19/57/398921957.db2.gz DKCOCIPCPKDFKK-UHFFFAOYSA-N 1 1 318.348 2.771 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595327664 398922441 /nfs/dbraw/zinc/92/24/41/398922441.db2.gz QFDBKRRYQMWUBY-AWEZNQCLSA-N 1 1 301.346 2.956 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599127975 398925460 /nfs/dbraw/zinc/92/54/60/398925460.db2.gz SPBWUCDERQPXCA-CQSZACIVSA-N 1 1 321.425 2.939 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000599139407 398927529 /nfs/dbraw/zinc/92/75/29/398927529.db2.gz NUJOJKUXZGPUJI-LBPRGKRZSA-N 1 1 321.377 2.525 20 5 DFBDMO CO[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCOC1 ZINC000595387022 398930951 /nfs/dbraw/zinc/93/09/51/398930951.db2.gz MRJTZLNSDFQNBS-YOEHRIQHSA-N 1 1 320.389 2.611 20 5 DFBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595382452 398930277 /nfs/dbraw/zinc/93/02/77/398930277.db2.gz IQCREGUASNHSKH-CHWSQXEVSA-N 1 1 311.382 2.917 20 5 DFBDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595382452 398930279 /nfs/dbraw/zinc/93/02/79/398930279.db2.gz IQCREGUASNHSKH-CHWSQXEVSA-N 1 1 311.382 2.917 20 5 DFBDMO CO[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCOC1 ZINC000595403837 398932786 /nfs/dbraw/zinc/93/27/86/398932786.db2.gz JKAVUFGFEVEIKB-YOEHRIQHSA-N 1 1 320.389 2.611 20 5 DFBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000471803956 299306373 /nfs/dbraw/zinc/30/63/73/299306373.db2.gz KHBXQMUKUDQQHN-NEPJUHHUSA-N 1 1 302.330 2.810 20 5 DFBDMO CCOc1ccc([C@@H](C)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000417352827 296013090 /nfs/dbraw/zinc/01/30/90/296013090.db2.gz HERMPEYHLNSDOL-GFCCVEGCSA-N 1 1 307.394 2.738 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000595446604 398940531 /nfs/dbraw/zinc/94/05/31/398940531.db2.gz RTNXGOXCVXHOGI-UHFFFAOYSA-N 1 1 324.352 2.505 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000595446604 398940535 /nfs/dbraw/zinc/94/05/35/398940535.db2.gz RTNXGOXCVXHOGI-UHFFFAOYSA-N 1 1 324.352 2.505 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504403 398951831 /nfs/dbraw/zinc/95/18/31/398951831.db2.gz IPMOWWMNUOKHEY-QGZVFWFLSA-N 1 1 319.405 2.521 20 5 DFBDMO Cc1noc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1[N+](=O)[O-] ZINC000595512845 398954716 /nfs/dbraw/zinc/95/47/16/398954716.db2.gz WLXFOKMWQFZHHJ-OTYXRUKQSA-N 1 1 323.374 2.745 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000595514017 398954961 /nfs/dbraw/zinc/95/49/61/398954961.db2.gz KCCZQTJREILMLW-FMKPAKJESA-N 1 1 308.353 2.859 20 5 DFBDMO C[N@H+]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000078419998 398955161 /nfs/dbraw/zinc/95/51/61/398955161.db2.gz SPIZBMHDKQSHRQ-VYDXJSESSA-N 1 1 324.384 2.729 20 5 DFBDMO CSCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000281342860 216236405 /nfs/dbraw/zinc/23/64/05/216236405.db2.gz JZNBJZUHCRBVHG-UHFFFAOYSA-N 1 1 311.407 2.527 20 5 DFBDMO CSCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000281342860 216236409 /nfs/dbraw/zinc/23/64/09/216236409.db2.gz JZNBJZUHCRBVHG-UHFFFAOYSA-N 1 1 311.407 2.527 20 5 DFBDMO CCc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000471962027 299317258 /nfs/dbraw/zinc/31/72/58/299317258.db2.gz ZEDMRCYVINNNDF-HNNXBMFYSA-N 1 1 319.405 2.761 20 5 DFBDMO C[C@@H]1C[N@H+](CCCNc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000078504975 398961492 /nfs/dbraw/zinc/96/14/92/398961492.db2.gz ZGONFIUBMJRJAR-TXEJJXNPSA-N 1 1 311.357 2.645 20 5 DFBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000078506267 398962002 /nfs/dbraw/zinc/96/20/02/398962002.db2.gz ATKILCWJYICNGG-HNNXBMFYSA-N 1 1 312.373 2.701 20 5 DFBDMO C[N@H+](CCc1ccccc1)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000167827289 398994893 /nfs/dbraw/zinc/99/48/93/398994893.db2.gz OPXIIELGEUGPHZ-UHFFFAOYSA-N 1 1 313.357 2.708 20 5 DFBDMO C[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000167827289 398994904 /nfs/dbraw/zinc/99/49/04/398994904.db2.gz OPXIIELGEUGPHZ-UHFFFAOYSA-N 1 1 313.357 2.708 20 5 DFBDMO COCCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000599507131 398997522 /nfs/dbraw/zinc/99/75/22/398997522.db2.gz PACQWNVSKWJPJC-UHFFFAOYSA-N 1 1 319.361 2.985 20 5 DFBDMO C[C@]1(C2CC2)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595616327 399003047 /nfs/dbraw/zinc/00/30/47/399003047.db2.gz AWRPJFHGIVTPOU-QGZVFWFLSA-N 1 1 320.389 2.865 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275465648 212352495 /nfs/dbraw/zinc/35/24/95/212352495.db2.gz NVMQCLCFHOGWCV-MRXNPFEDSA-N 1 1 322.405 2.975 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275465648 212352496 /nfs/dbraw/zinc/35/24/96/212352496.db2.gz NVMQCLCFHOGWCV-MRXNPFEDSA-N 1 1 322.405 2.975 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+](C3CC3)C3CC3)o2)cc1 ZINC000599594021 399024143 /nfs/dbraw/zinc/02/41/43/399024143.db2.gz IOHAPGISDPUDSX-UHFFFAOYSA-N 1 1 300.318 2.772 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000618168036 399029212 /nfs/dbraw/zinc/02/92/12/399029212.db2.gz XXKGGEGKFHYNEC-SECBINFHSA-N 1 1 307.741 2.514 20 5 DFBDMO C[C@H]1COC2(CCC2)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595674315 399029387 /nfs/dbraw/zinc/02/93/87/399029387.db2.gz KGXGIAXEOQEPBU-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H]1COC2(CCC2)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595674315 399029390 /nfs/dbraw/zinc/02/93/90/399029390.db2.gz KGXGIAXEOQEPBU-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595680334 399031980 /nfs/dbraw/zinc/03/19/80/399031980.db2.gz ZMPRKHJDGDCHSY-DOMZBBRYSA-N 1 1 308.378 2.586 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091673021 193089083 /nfs/dbraw/zinc/08/90/83/193089083.db2.gz PUCNCOZQGPEPCS-MNOVXSKESA-N 1 1 311.769 2.523 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599633432 399035716 /nfs/dbraw/zinc/03/57/16/399035716.db2.gz LYRSPFJCUZCOES-JMALDWJISA-N 1 1 322.430 2.950 20 5 DFBDMO CCC(O)(CC)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000599673110 399054536 /nfs/dbraw/zinc/05/45/36/399054536.db2.gz KBNHYJISKHMKJX-UHFFFAOYSA-N 1 1 307.350 2.719 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599688304 399064101 /nfs/dbraw/zinc/06/41/01/399064101.db2.gz CFRCKRXMOQKFIS-DABQJJPHSA-N 1 1 306.362 2.757 20 5 DFBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000058230978 399077115 /nfs/dbraw/zinc/07/71/15/399077115.db2.gz UEDJAYXYNUTRDU-KGLIPLIRSA-N 1 1 319.405 2.516 20 5 DFBDMO COCC1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332225939 284056236 /nfs/dbraw/zinc/05/62/36/284056236.db2.gz NCCJSSULNKBJCU-UHFFFAOYSA-N 1 1 318.377 2.720 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cc[nH+]c1C1CC1 ZINC000600613024 399098079 /nfs/dbraw/zinc/09/80/79/399098079.db2.gz FISCRAOBIHIBDF-UHFFFAOYSA-N 1 1 300.318 2.616 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419368118 296136785 /nfs/dbraw/zinc/13/67/85/296136785.db2.gz FLICKRMSKKTABR-AVGNSLFASA-N 1 1 305.378 2.818 20 5 DFBDMO C[C@@H]1[C@H](C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000419353076 296136111 /nfs/dbraw/zinc/13/61/11/296136111.db2.gz KSHFXUROMQMXKX-UPJWGTAASA-N 1 1 305.378 2.900 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419368121 296136857 /nfs/dbraw/zinc/13/68/57/296136857.db2.gz FLICKRMSKKTABR-YNEHKIRRSA-N 1 1 305.378 2.818 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419371990 296137318 /nfs/dbraw/zinc/13/73/18/296137318.db2.gz LWXVIXNLLXRIQK-FVCCEPFGSA-N 1 1 305.378 2.898 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000059394370 399110538 /nfs/dbraw/zinc/11/05/38/399110538.db2.gz PMNZSEQZXNZKCB-UHFFFAOYSA-N 1 1 306.410 2.938 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419382971 296138507 /nfs/dbraw/zinc/13/85/07/296138507.db2.gz ZOQBWBIHBVVWPT-TUAOUCFPSA-N 1 1 321.377 2.518 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccsc3)C2)nc1 ZINC000093534833 193265923 /nfs/dbraw/zinc/26/59/23/193265923.db2.gz KFIKGMZMQZCXRX-GFCCVEGCSA-N 1 1 304.375 2.738 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccs3)C2)nc1 ZINC000093534326 193265932 /nfs/dbraw/zinc/26/59/32/193265932.db2.gz CIMVLKUAENZCFZ-LLVKDONJSA-N 1 1 304.375 2.738 20 5 DFBDMO CCc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534423 193266356 /nfs/dbraw/zinc/26/63/56/193266356.db2.gz NJLBMLFCMFSJBL-LBPRGKRZSA-N 1 1 316.361 2.832 20 5 DFBDMO [NH3+]Cc1cccc2c1N(Cc1cc(O)ccc1[N+](=O)[O-])CCC2 ZINC000600724314 399125261 /nfs/dbraw/zinc/12/52/61/399125261.db2.gz YTLKTNGLONNSIO-UHFFFAOYSA-N 1 1 313.357 2.712 20 5 DFBDMO C[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1cccc([N+](=O)[O-])c1 ZINC000093687303 193289796 /nfs/dbraw/zinc/28/97/96/193289796.db2.gz FDTBPWCGLRJMES-SECBINFHSA-N 1 1 305.359 2.606 20 5 DFBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093717830 193297256 /nfs/dbraw/zinc/29/72/56/193297256.db2.gz ZXJBKMMZQDBYGW-UHFFFAOYSA-N 1 1 307.394 2.676 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CC2(C)C)c1 ZINC000595908321 399130630 /nfs/dbraw/zinc/13/06/30/399130630.db2.gz HJABWVPUPPMCEF-CYBMUJFWSA-N 1 1 306.362 2.859 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000595908325 399131601 /nfs/dbraw/zinc/13/16/01/399131601.db2.gz HMWKGWYGIQISFA-GFCCVEGCSA-N 1 1 305.378 2.820 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000263871448 203611180 /nfs/dbraw/zinc/61/11/80/203611180.db2.gz GEWLBTAVWLGZTE-LLVKDONJSA-N 1 1 319.361 2.801 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000263986660 203666511 /nfs/dbraw/zinc/66/65/11/203666511.db2.gz MEZDKKAETCQFJW-LLVKDONJSA-N 1 1 311.407 2.651 20 5 DFBDMO CC12CC(C1)C[N@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595914623 399133214 /nfs/dbraw/zinc/13/32/14/399133214.db2.gz FKBQNHZUBZMQAV-UHFFFAOYSA-N 1 1 300.318 2.629 20 5 DFBDMO CC(C)N(C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000282456324 217008214 /nfs/dbraw/zinc/00/82/14/217008214.db2.gz MEZUPIKIVOMRAP-UHFFFAOYSA-N 1 1 321.421 2.715 20 5 DFBDMO CC(C)N(C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000282456324 217008217 /nfs/dbraw/zinc/00/82/17/217008217.db2.gz MEZUPIKIVOMRAP-UHFFFAOYSA-N 1 1 321.421 2.715 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080464218 399149950 /nfs/dbraw/zinc/14/99/50/399149950.db2.gz VVGPNVLCUWHPON-STQMWFEESA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cc1[N+](=O)[O-] ZINC000080464132 399150590 /nfs/dbraw/zinc/15/05/90/399150590.db2.gz USWGALZWUTVBLN-JSGCOSHPSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000080543685 399157070 /nfs/dbraw/zinc/15/70/70/399157070.db2.gz ZTCQVTCEAWZUED-INIZCTEOSA-N 1 1 307.394 2.672 20 5 DFBDMO O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596058387 399158028 /nfs/dbraw/zinc/15/80/28/399158028.db2.gz GOFIMBKEKBJBRJ-OAHLLOKOSA-N 1 1 303.406 2.806 20 5 DFBDMO CC[N@@H+](C)Cc1cccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000596090598 399169504 /nfs/dbraw/zinc/16/95/04/399169504.db2.gz YXCIXZQCRHCHLU-UHFFFAOYSA-N 1 1 316.361 2.759 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(F)cc1 ZINC000282508040 217050510 /nfs/dbraw/zinc/05/05/10/217050510.db2.gz ROPPTLPJNJHZPB-QGZVFWFLSA-N 1 1 318.348 2.942 20 5 DFBDMO Cc1nn(C)c(C)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282511278 217052523 /nfs/dbraw/zinc/05/25/23/217052523.db2.gz RYRWLQDTUYWEDE-UHFFFAOYSA-N 1 1 302.378 2.620 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCCC[C@@H]1CCO ZINC000342061132 284318407 /nfs/dbraw/zinc/31/84/07/284318407.db2.gz HVVBPKUNCVWYAN-CQSZACIVSA-N 1 1 308.378 2.601 20 5 DFBDMO CC[N@H+]1CCCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596119858 399181097 /nfs/dbraw/zinc/18/10/97/399181097.db2.gz QXYKPMNNLMPKEP-UHFFFAOYSA-N 1 1 313.785 2.789 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000080917483 399187785 /nfs/dbraw/zinc/18/77/85/399187785.db2.gz YBCQDZKYZHKMAJ-UHFFFAOYSA-N 1 1 302.330 2.811 20 5 DFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614252420 399189810 /nfs/dbraw/zinc/18/98/10/399189810.db2.gz RXVRWOCAYFURHP-DGCLKSJQSA-N 1 1 306.362 2.986 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000063694455 399201473 /nfs/dbraw/zinc/20/14/73/399201473.db2.gz LAUBLFVMRQOFQA-CQSZACIVSA-N 1 1 319.405 2.753 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000063724400 399204977 /nfs/dbraw/zinc/20/49/77/399204977.db2.gz WMIPANILGFEKFK-UHFFFAOYSA-N 1 1 305.378 2.541 20 5 DFBDMO COc1cc(NC[C@@H]2CCc3[nH+]ccn3C2)c(F)cc1[N+](=O)[O-] ZINC000288434718 220139422 /nfs/dbraw/zinc/13/94/22/220139422.db2.gz NPEUHGMSBUEQLW-JTQLQIEISA-N 1 1 320.324 2.614 20 5 DFBDMO Cc1cccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000063723966 399204548 /nfs/dbraw/zinc/20/45/48/399204548.db2.gz DZMBAOJWJDUZGW-UHFFFAOYSA-N 1 1 319.405 2.850 20 5 DFBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000282954699 217348076 /nfs/dbraw/zinc/34/80/76/217348076.db2.gz ZKRVWVHVQLCYOQ-BDJLRTHQSA-N 1 1 306.362 2.534 20 5 DFBDMO CC[C@H](C[C@H](C)CO)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601126081 399234207 /nfs/dbraw/zinc/23/42/07/399234207.db2.gz YJCPUQYULPHLDE-NWDGAFQWSA-N 1 1 303.362 2.774 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3CCC[C@H](O)C3)c2c1 ZINC000601119074 399232701 /nfs/dbraw/zinc/23/27/01/399232701.db2.gz LTUUARJYIYCQQS-YPMHNXCESA-N 1 1 301.346 2.528 20 5 DFBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccsc1[N+](=O)[O-] ZINC000601131392 399236696 /nfs/dbraw/zinc/23/66/96/399236696.db2.gz JOEGAGMEBWJXBV-UHFFFAOYSA-N 1 1 320.374 2.940 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(n4ccnn4)CC3)c2c1 ZINC000601137109 399238869 /nfs/dbraw/zinc/23/88/69/399238869.db2.gz SUZKGKKENICPGK-UHFFFAOYSA-N 1 1 324.344 2.576 20 5 DFBDMO COCCCOCCN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601138027 399238941 /nfs/dbraw/zinc/23/89/41/399238941.db2.gz MMCNSDCFRHWPHW-UHFFFAOYSA-N 1 1 319.361 2.632 20 5 DFBDMO Cc1cn2c(n1)CN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000601141940 399240149 /nfs/dbraw/zinc/24/01/49/399240149.db2.gz SWIHTECYRURPKI-UHFFFAOYSA-N 1 1 309.329 2.668 20 5 DFBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)C(F)(F)F ZINC000601151069 399241973 /nfs/dbraw/zinc/24/19/73/399241973.db2.gz NLVBEMAIPIOMFF-QUBYGPBYSA-N 1 1 312.675 2.650 20 5 DFBDMO CC[C@@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000420964883 296218576 /nfs/dbraw/zinc/21/85/76/296218576.db2.gz XKTJGBXCVQFSSZ-ZIAGYGMSSA-N 1 1 308.378 2.863 20 5 DFBDMO CCOC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000065541490 399245760 /nfs/dbraw/zinc/24/57/60/399245760.db2.gz FXVALAOWDUFYLO-UHFFFAOYSA-N 1 1 308.378 2.658 20 5 DFBDMO CCOC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000065541490 399245763 /nfs/dbraw/zinc/24/57/63/399245763.db2.gz FXVALAOWDUFYLO-UHFFFAOYSA-N 1 1 308.378 2.658 20 5 DFBDMO C[C@H]1C[C@@H](CO)CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601174649 399247678 /nfs/dbraw/zinc/24/76/78/399247678.db2.gz FACZGULDIKDJSJ-NWDGAFQWSA-N 1 1 301.346 2.598 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(C4(O)CC4)CC3)c2c1 ZINC000601185718 399250519 /nfs/dbraw/zinc/25/05/19/399250519.db2.gz ZPWZZMLDEVWQCY-UHFFFAOYSA-N 1 1 313.357 2.884 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421014000 296225207 /nfs/dbraw/zinc/22/52/07/296225207.db2.gz JUVZHCKXIHODDP-CYBMUJFWSA-N 1 1 308.378 2.588 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@](O)(C4CC4)C3)c2c1 ZINC000601194877 399252694 /nfs/dbraw/zinc/25/26/94/399252694.db2.gz VBXNNOAJJLTMPT-KRWDZBQOSA-N 1 1 313.357 2.884 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000267769830 206271004 /nfs/dbraw/zinc/27/10/04/206271004.db2.gz GGLIGJXRJSLYCY-PHIMTYICSA-N 1 1 302.334 2.733 20 5 DFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCn2ccnc2C1 ZINC000618903298 399255345 /nfs/dbraw/zinc/25/53/45/399255345.db2.gz XASUHUBCSNFGNJ-GFCCVEGCSA-N 1 1 318.352 2.625 20 5 DFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCn2ccnc2C1 ZINC000618903299 399255377 /nfs/dbraw/zinc/25/53/77/399255377.db2.gz XASUHUBCSNFGNJ-LBPRGKRZSA-N 1 1 318.352 2.625 20 5 DFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCc2nccn2C1 ZINC000614772279 399266880 /nfs/dbraw/zinc/26/68/80/399266880.db2.gz FHTZRKQSODAFRE-NSHDSACASA-N 1 1 306.391 2.547 20 5 DFBDMO COc1cc(C[NH2+]Cc2ccoc2C)c([N+](=O)[O-])cc1OC ZINC000608782099 399295084 /nfs/dbraw/zinc/29/50/84/399295084.db2.gz MARVTJRFWYGBIR-UHFFFAOYSA-N 1 1 306.318 2.803 20 5 DFBDMO Cc1nccn1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260514 399311683 /nfs/dbraw/zinc/31/16/83/399311683.db2.gz UTHJGOPJIXNAMX-INIZCTEOSA-N 1 1 300.362 2.937 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000615203283 399312196 /nfs/dbraw/zinc/31/21/96/399312196.db2.gz XRPDZHPBLATUCZ-SWLSCSKDSA-N 1 1 319.405 2.788 20 5 DFBDMO CC(C)(C)C[N@@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609317288 399313036 /nfs/dbraw/zinc/31/30/36/399313036.db2.gz RPYVYXCGOMEXEE-UHFFFAOYSA-N 1 1 310.394 2.704 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601664130 399317051 /nfs/dbraw/zinc/31/70/51/399317051.db2.gz IQWNEFIMTNKNCJ-NSHDSACASA-N 1 1 323.368 2.584 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000615239428 399315771 /nfs/dbraw/zinc/31/57/71/399315771.db2.gz OXSZZHLBETXPLJ-CYBMUJFWSA-N 1 1 305.378 2.542 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCCO)C1CC1 ZINC000609846141 399333817 /nfs/dbraw/zinc/33/38/17/399333817.db2.gz GDJDOYNTURVMLT-UHFFFAOYSA-N 1 1 308.378 2.729 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCCO)C1CC1 ZINC000609846141 399333818 /nfs/dbraw/zinc/33/38/18/399333818.db2.gz GDJDOYNTURVMLT-UHFFFAOYSA-N 1 1 308.378 2.729 20 5 DFBDMO CC[N@H+]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000288578603 220254826 /nfs/dbraw/zinc/25/48/26/220254826.db2.gz UYWDXKTYCIWAMA-YPDDLIOESA-N 1 1 317.389 2.551 20 5 DFBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C(F)F ZINC000619432046 399345328 /nfs/dbraw/zinc/34/53/28/399345328.db2.gz GSKFTMHMKWCNAM-SECBINFHSA-N 1 1 315.320 2.945 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000619480736 399352164 /nfs/dbraw/zinc/35/21/64/399352164.db2.gz QPGRDYYSXISPSG-LBPRGKRZSA-N 1 1 307.398 2.548 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284736115 218154222 /nfs/dbraw/zinc/15/42/22/218154222.db2.gz KPWXPGGRVFQBOH-UKRRQHHQSA-N 1 1 321.333 2.646 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284736115 218154224 /nfs/dbraw/zinc/15/42/24/218154224.db2.gz KPWXPGGRVFQBOH-UKRRQHHQSA-N 1 1 321.333 2.646 20 5 DFBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000284811339 218186953 /nfs/dbraw/zinc/18/69/53/218186953.db2.gz PGOFNIWBASBRRZ-MFKMUULPSA-N 1 1 309.322 2.502 20 5 DFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000284811339 218186955 /nfs/dbraw/zinc/18/69/55/218186955.db2.gz PGOFNIWBASBRRZ-MFKMUULPSA-N 1 1 309.322 2.502 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000619531992 399358869 /nfs/dbraw/zinc/35/88/69/399358869.db2.gz NQRYERFCHBWRGI-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[C@H](C)[N@H+]2C)c1 ZINC000619566416 399363021 /nfs/dbraw/zinc/36/30/21/399363021.db2.gz TZLCLGKYNLOJJC-QWRGUYRKSA-N 1 1 323.418 2.529 20 5 DFBDMO CC[N@H+](Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1)C1CC1 ZINC000273860285 211120720 /nfs/dbraw/zinc/12/07/20/211120720.db2.gz RRSOIAVSLDHZQH-UHFFFAOYSA-N 1 1 302.334 2.938 20 5 DFBDMO CC[N@@H+](Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1)C1CC1 ZINC000273860285 211120722 /nfs/dbraw/zinc/12/07/22/211120722.db2.gz RRSOIAVSLDHZQH-UHFFFAOYSA-N 1 1 302.334 2.938 20 5 DFBDMO CCOc1cccc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000273844510 211108457 /nfs/dbraw/zinc/10/84/57/211108457.db2.gz IMYPZKGBAPBVNV-CYBMUJFWSA-N 1 1 307.394 2.772 20 5 DFBDMO Cc1c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601973548 399372120 /nfs/dbraw/zinc/37/21/20/399372120.db2.gz PWJIKMFZTWQDBZ-CYBMUJFWSA-N 1 1 300.305 2.759 20 5 DFBDMO Cc1c(C[N@H+]2CCO[C@@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601973548 399372125 /nfs/dbraw/zinc/37/21/25/399372125.db2.gz PWJIKMFZTWQDBZ-CYBMUJFWSA-N 1 1 300.305 2.759 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000610476658 399371586 /nfs/dbraw/zinc/37/15/86/399371586.db2.gz STVFFNKLWJIVEI-CYBMUJFWSA-N 1 1 308.378 2.588 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585368 399383626 /nfs/dbraw/zinc/38/36/26/399383626.db2.gz MGNZEPODWQQQIC-WFASDCNBSA-N 1 1 303.362 2.716 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H]4CCC[C@H]43)n2)c1 ZINC000610585566 399383634 /nfs/dbraw/zinc/38/36/34/399383634.db2.gz UPCIXXYSFMJJKY-DGCLKSJQSA-N 1 1 300.318 2.629 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@H]4CCC[C@H]43)n2)c1 ZINC000610585566 399383636 /nfs/dbraw/zinc/38/36/36/399383636.db2.gz UPCIXXYSFMJJKY-DGCLKSJQSA-N 1 1 300.318 2.629 20 5 DFBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[C@H](O)CC1 ZINC000285352797 218393418 /nfs/dbraw/zinc/39/34/18/218393418.db2.gz QDIXZYCYXFFVGN-HOMQSWHASA-N 1 1 300.305 2.608 20 5 DFBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[C@H](O)CC1 ZINC000285352797 218393420 /nfs/dbraw/zinc/39/34/20/218393420.db2.gz QDIXZYCYXFFVGN-HOMQSWHASA-N 1 1 300.305 2.608 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000619868438 399396617 /nfs/dbraw/zinc/39/66/17/399396617.db2.gz SIZCUAJDRAADJQ-UHFFFAOYSA-N 1 1 317.389 2.543 20 5 DFBDMO CCOC(=O)c1cc(N[C@H]2C[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000610716242 399396676 /nfs/dbraw/zinc/39/66/76/399396676.db2.gz FGBWETUELWYDHL-RISCZKNCSA-N 1 1 321.377 2.524 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000602131133 399399184 /nfs/dbraw/zinc/39/91/84/399399184.db2.gz QYYDBYSMWYUGTR-UHFFFAOYSA-N 1 1 309.366 2.520 20 5 DFBDMO CCc1ccc([C@H]([NH2+]C[C@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346453790 284863466 /nfs/dbraw/zinc/86/34/66/284863466.db2.gz YMHLYKRERWYUTH-MEDUHNTESA-N 1 1 304.346 2.810 20 5 DFBDMO CC[N@@H+]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000616060706 399417514 /nfs/dbraw/zinc/41/75/14/399417514.db2.gz GNOXDAJPKINRBH-FZMZJTMJSA-N 1 1 300.362 2.895 20 5 DFBDMO C[N@H+](Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610929808 399418744 /nfs/dbraw/zinc/41/87/44/399418744.db2.gz BJYXFJMFSFRIMA-UHFFFAOYSA-N 1 1 314.341 2.998 20 5 DFBDMO C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610929808 399418747 /nfs/dbraw/zinc/41/87/47/399418747.db2.gz BJYXFJMFSFRIMA-UHFFFAOYSA-N 1 1 314.341 2.998 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000058856983 184130101 /nfs/dbraw/zinc/13/01/01/184130101.db2.gz LYLSSHVEVUGARP-NSHDSACASA-N 1 1 311.407 2.651 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](C(F)F)C3)n2)cc1 ZINC000611180174 399442893 /nfs/dbraw/zinc/44/28/93/399442893.db2.gz SZXDZQXDEPBJLH-JTQLQIEISA-N 1 1 324.287 2.732 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](C(F)F)C3)n2)cc1 ZINC000611180174 399442895 /nfs/dbraw/zinc/44/28/95/399442895.db2.gz SZXDZQXDEPBJLH-JTQLQIEISA-N 1 1 324.287 2.732 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc3ccnn3c2)C2CC2)cc1 ZINC000611211205 399445976 /nfs/dbraw/zinc/44/59/76/399445976.db2.gz BKXMRNAECVTXRN-UHFFFAOYSA-N 1 1 323.356 2.802 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc3ccnn3c2)C2CC2)cc1 ZINC000611211205 399445977 /nfs/dbraw/zinc/44/59/77/399445977.db2.gz BKXMRNAECVTXRN-UHFFFAOYSA-N 1 1 323.356 2.802 20 5 DFBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478977 399457156 /nfs/dbraw/zinc/45/71/56/399457156.db2.gz WHCUEYLTJIIHPL-DGCLKSJQSA-N 1 1 318.352 2.845 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000611282362 399457509 /nfs/dbraw/zinc/45/75/09/399457509.db2.gz NQPINANOQXQDAI-GXTWGEPZSA-N 1 1 319.405 2.590 20 5 DFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C[N@H+]1C ZINC000611298451 399459385 /nfs/dbraw/zinc/45/93/85/399459385.db2.gz IIBDBPPSHWHMPC-ZJUUUORDSA-N 1 1 315.320 2.725 20 5 DFBDMO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+]1C ZINC000611298970 399459952 /nfs/dbraw/zinc/45/99/52/399459952.db2.gz DGSYRXSGJGXBAA-NEPJUHHUSA-N 1 1 300.362 2.672 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602513814 399465528 /nfs/dbraw/zinc/46/55/28/399465528.db2.gz DQYSXRPAQRSFTH-LBPRGKRZSA-N 1 1 318.377 2.558 20 5 DFBDMO C[C@H]1CCCN(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602513814 399465531 /nfs/dbraw/zinc/46/55/31/399465531.db2.gz DQYSXRPAQRSFTH-LBPRGKRZSA-N 1 1 318.377 2.558 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602534905 399469947 /nfs/dbraw/zinc/46/99/47/399469947.db2.gz VKCFCGKWAMLNGI-NSHDSACASA-N 1 1 306.366 2.556 20 5 DFBDMO CC(C)[N@@H+]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000602569004 399478579 /nfs/dbraw/zinc/47/85/79/399478579.db2.gz QKFWIOPYHZBIIR-FZMZJTMJSA-N 1 1 318.377 2.554 20 5 DFBDMO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000602583377 399482872 /nfs/dbraw/zinc/48/28/72/399482872.db2.gz QZBZFNZDZDGRJC-JTQLQIEISA-N 1 1 317.345 2.869 20 5 DFBDMO Cc1cc(C(=O)Nc2cc[nH+]c(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000346882813 284970481 /nfs/dbraw/zinc/97/04/81/284970481.db2.gz QAMDUOUCGIZJJU-UHFFFAOYSA-N 1 1 300.318 2.617 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCCn3cc[nH+]c32)n1 ZINC000611617372 399499719 /nfs/dbraw/zinc/49/97/19/399499719.db2.gz KAPKOSZQWFPSFF-GFCCVEGCSA-N 1 1 301.350 2.793 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616767 399499091 /nfs/dbraw/zinc/49/90/91/399499091.db2.gz FFCFCDVHPCEOQO-AWEZNQCLSA-N 1 1 306.410 2.775 20 5 DFBDMO Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000602649131 399502140 /nfs/dbraw/zinc/50/21/40/399502140.db2.gz HJJKBAHBUQFQRF-MRXNPFEDSA-N 1 1 314.389 2.954 20 5 DFBDMO CO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000602653937 399503836 /nfs/dbraw/zinc/50/38/36/399503836.db2.gz FCQGOPYZACZGIW-CMPLNLGQSA-N 1 1 305.334 2.735 20 5 DFBDMO CO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000602653937 399503838 /nfs/dbraw/zinc/50/38/38/399503838.db2.gz FCQGOPYZACZGIW-CMPLNLGQSA-N 1 1 305.334 2.735 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCCC[C@H]3CCO)nc2c1 ZINC000602653753 399503866 /nfs/dbraw/zinc/50/38/66/399503866.db2.gz OQXPDXUUXPDGNX-LBPRGKRZSA-N 1 1 319.361 2.863 20 5 DFBDMO COc1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000294863657 532955564 /nfs/dbraw/zinc/95/55/64/532955564.db2.gz DJBHYZJGOZETJE-GFCCVEGCSA-N 1 1 305.378 2.524 20 5 DFBDMO COc1cc(N2CC[N@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000294863659 532955739 /nfs/dbraw/zinc/95/57/39/532955739.db2.gz DJBHYZJGOZETJE-LBPRGKRZSA-N 1 1 305.378 2.524 20 5 DFBDMO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C1=CC[N@@H+](C)CC1 ZINC000611713526 399510615 /nfs/dbraw/zinc/51/06/15/399510615.db2.gz DHBXZGGALMVQKE-LLVKDONJSA-N 1 1 313.361 2.600 20 5 DFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668061 399511018 /nfs/dbraw/zinc/51/10/18/399511018.db2.gz SIDMOAGHQBMQJS-SMDDNHRTSA-N 1 1 318.377 2.508 20 5 DFBDMO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@H+]4CCCC[C@@H]34)c21 ZINC000347393937 285029524 /nfs/dbraw/zinc/02/95/24/285029524.db2.gz BCHIHISJQLONEI-AAEUAGOBSA-N 1 1 313.361 2.577 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602670836 399513402 /nfs/dbraw/zinc/51/34/02/399513402.db2.gz QRWSAXNZDYWSHD-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCSC1 ZINC000119954215 195069331 /nfs/dbraw/zinc/06/93/31/195069331.db2.gz WLKONLMRJAKDHR-CYBMUJFWSA-N 1 1 323.418 2.669 20 5 DFBDMO CC(C)CO[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000119965043 195070320 /nfs/dbraw/zinc/07/03/20/195070320.db2.gz WEXGIXYLPIQADC-INIZCTEOSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)CO[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000119964931 195070823 /nfs/dbraw/zinc/07/08/23/195070823.db2.gz WEXGIXYLPIQADC-MRXNPFEDSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000602678936 399516864 /nfs/dbraw/zinc/51/68/64/399516864.db2.gz ZVPFNPMNLZCBKD-GFCCVEGCSA-N 1 1 305.334 2.735 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)C(C)C ZINC000120049570 195087300 /nfs/dbraw/zinc/08/73/00/195087300.db2.gz JFFPTTPFXUZYRD-UHFFFAOYSA-N 1 1 308.382 2.673 20 5 DFBDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000347610771 285091470 /nfs/dbraw/zinc/09/14/70/285091470.db2.gz ZMKLJXHQZBODIY-KBPBESRZSA-N 1 1 321.421 2.903 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](O)(CC)C1 ZINC000602741711 399551313 /nfs/dbraw/zinc/55/13/13/399551313.db2.gz TVPQMTKZIGEYCD-INIZCTEOSA-N 1 1 308.378 2.730 20 5 DFBDMO Cc1ccc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272971465 210353486 /nfs/dbraw/zinc/35/34/86/210353486.db2.gz OJSWTQOBNOTMDQ-GFCCVEGCSA-N 1 1 318.377 2.675 20 5 DFBDMO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088461 296376634 /nfs/dbraw/zinc/37/66/34/296376634.db2.gz QFEHSUAXKCEFMG-GWCFXTLKSA-N 1 1 317.311 2.831 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000602757038 399558624 /nfs/dbraw/zinc/55/86/24/399558624.db2.gz CUESGPPGDORADA-LLVKDONJSA-N 1 1 306.341 2.932 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@H+]4CCCC[C@H]34)nc2c1 ZINC000296668087 285141406 /nfs/dbraw/zinc/14/14/06/285141406.db2.gz ZCENAUPZIYXXNG-GXTWGEPZSA-N 1 1 301.350 2.510 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000602771501 399564832 /nfs/dbraw/zinc/56/48/32/399564832.db2.gz BMGMAXJVHGWVQO-ZDUSSCGKSA-N 1 1 302.378 2.835 20 5 DFBDMO Cc1csc([C@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])n1 ZINC000602770476 399565932 /nfs/dbraw/zinc/56/59/32/399565932.db2.gz SGRQQFGOGMYCCM-GFCCVEGCSA-N 1 1 321.406 2.702 20 5 DFBDMO Cc1csc([C@H]2CCC[N@H+]2CCn2c(C)ncc2[N+](=O)[O-])n1 ZINC000602770476 399565934 /nfs/dbraw/zinc/56/59/34/399565934.db2.gz SGRQQFGOGMYCCM-GFCCVEGCSA-N 1 1 321.406 2.702 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000602779379 399569297 /nfs/dbraw/zinc/56/92/97/399569297.db2.gz FZTROSRVNVTZRV-LBPRGKRZSA-N 1 1 300.362 2.547 20 5 DFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCNC1 ZINC000423190393 296390434 /nfs/dbraw/zinc/39/04/34/296390434.db2.gz NVYJAZURGGEKDZ-STQMWFEESA-N 1 1 309.435 2.807 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000602800777 399580285 /nfs/dbraw/zinc/58/02/85/399580285.db2.gz CGWJGMRKLGFDTK-INIZCTEOSA-N 1 1 314.389 2.898 20 5 DFBDMO COc1cccc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000157530215 197193845 /nfs/dbraw/zinc/19/38/45/197193845.db2.gz DZEGINVZENELSR-INIZCTEOSA-N 1 1 316.361 2.637 20 5 DFBDMO Cn1cc(C[N@@H+]2CCc3ccccc3C2(C)C)c([N+](=O)[O-])n1 ZINC000602800027 399579459 /nfs/dbraw/zinc/57/94/59/399579459.db2.gz ISEGZMHTNGKYNL-UHFFFAOYSA-N 1 1 300.362 2.622 20 5 DFBDMO Cn1cc(C[N@H+]2CCc3ccccc3C2(C)C)c([N+](=O)[O-])n1 ZINC000602800027 399579464 /nfs/dbraw/zinc/57/94/64/399579464.db2.gz ISEGZMHTNGKYNL-UHFFFAOYSA-N 1 1 300.362 2.622 20 5 DFBDMO CC1(C)C[C@H](NC[C@@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000423206025 296392335 /nfs/dbraw/zinc/39/23/35/296392335.db2.gz FPDGHOLVAOOQCK-WBMJQRKESA-N 1 1 303.406 2.906 20 5 DFBDMO C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000423212634 296393102 /nfs/dbraw/zinc/39/31/02/296393102.db2.gz ISWHSNXHNFMVRT-DXCKQFNASA-N 1 1 303.406 2.950 20 5 DFBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602810059 399584931 /nfs/dbraw/zinc/58/49/31/399584931.db2.gz KMOLFKQOJWVGPV-MRXNPFEDSA-N 1 1 314.389 2.937 20 5 DFBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000602813362 399586232 /nfs/dbraw/zinc/58/62/32/399586232.db2.gz YFQVWZNLGKEFDU-LLVKDONJSA-N 1 1 308.407 2.843 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000602838254 399595904 /nfs/dbraw/zinc/59/59/04/399595904.db2.gz CRZNJOQNGOLMAF-GFCCVEGCSA-N 1 1 320.368 2.802 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602880281 399613775 /nfs/dbraw/zinc/61/37/75/399613775.db2.gz LADJYRLMJPUYCC-OAHLLOKOSA-N 1 1 302.334 2.534 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(CC(F)F)CC1 ZINC000271593138 209042206 /nfs/dbraw/zinc/04/22/06/209042206.db2.gz RWNGFIVTKXYBGV-GFCCVEGCSA-N 1 1 313.348 2.929 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(CC(F)F)CC1 ZINC000271593138 209042210 /nfs/dbraw/zinc/04/22/10/209042210.db2.gz RWNGFIVTKXYBGV-GFCCVEGCSA-N 1 1 313.348 2.929 20 5 DFBDMO CCOc1cc(C[N@@H+](CC)C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000617196033 399627360 /nfs/dbraw/zinc/62/73/60/399627360.db2.gz AWCCPGNSVCPEPT-CQSZACIVSA-N 1 1 308.378 2.852 20 5 DFBDMO CSC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000602919781 399626990 /nfs/dbraw/zinc/62/69/90/399626990.db2.gz ISYSJRNUGMFSAU-UHFFFAOYSA-N 1 1 323.418 2.669 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000617196456 399627547 /nfs/dbraw/zinc/62/75/47/399627547.db2.gz MVIUUBSMXMXIKR-CYBMUJFWSA-N 1 1 308.378 2.588 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292850558 533220859 /nfs/dbraw/zinc/22/08/59/533220859.db2.gz BTNCGJFVYXSRQW-QGZVFWFLSA-N 1 1 319.405 2.521 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000602929989 399631627 /nfs/dbraw/zinc/63/16/27/399631627.db2.gz CCXKWFPKGATVKW-IUODEOHRSA-N 1 1 308.378 2.727 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000602929989 399631636 /nfs/dbraw/zinc/63/16/36/399631636.db2.gz CCXKWFPKGATVKW-IUODEOHRSA-N 1 1 308.378 2.727 20 5 DFBDMO CO[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289768573 221212429 /nfs/dbraw/zinc/21/24/29/221212429.db2.gz RDWNUPPPVYQNRC-VIFPVBQESA-N 1 1 304.293 2.663 20 5 DFBDMO CO[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289768573 221212430 /nfs/dbraw/zinc/21/24/30/221212430.db2.gz RDWNUPPPVYQNRC-VIFPVBQESA-N 1 1 304.293 2.663 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000294922011 224313106 /nfs/dbraw/zinc/31/31/06/224313106.db2.gz YVXFMPDBTBPAQF-HNNXBMFYSA-N 1 1 321.377 2.566 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000294922011 224313108 /nfs/dbraw/zinc/31/31/08/224313108.db2.gz YVXFMPDBTBPAQF-HNNXBMFYSA-N 1 1 321.377 2.566 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000602997704 399654382 /nfs/dbraw/zinc/65/43/82/399654382.db2.gz PDRVTSNTSCUJGH-DZKIICNBSA-N 1 1 320.389 2.729 20 5 DFBDMO O=c1[nH]ccc2c1C[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])CC2 ZINC000617319642 399659323 /nfs/dbraw/zinc/65/93/23/399659323.db2.gz RBTRKEVCWDQJHD-HYXAFXHYSA-N 1 1 311.341 2.767 20 5 DFBDMO CC[C@]1(O)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602982235 399649402 /nfs/dbraw/zinc/64/94/02/399649402.db2.gz PJUGQBJYWFGCLA-INIZCTEOSA-N 1 1 308.378 2.601 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987486 399650607 /nfs/dbraw/zinc/65/06/07/399650607.db2.gz IFZOOFRQAFUXOJ-JFGNBEQYSA-N 1 1 318.295 2.758 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000294994931 224365968 /nfs/dbraw/zinc/36/59/68/224365968.db2.gz RARZYLGDARNDOE-ZDUSSCGKSA-N 1 1 319.405 2.662 20 5 DFBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000112210534 542566016 /nfs/dbraw/zinc/56/60/16/542566016.db2.gz HRTUYBABDDWKQM-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO CCC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000121647027 195323319 /nfs/dbraw/zinc/32/33/19/195323319.db2.gz KXNQVGFVQHMICW-QGZVFWFLSA-N 1 1 321.421 2.528 20 5 DFBDMO C[S@](=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000121821641 195355218 /nfs/dbraw/zinc/35/52/18/195355218.db2.gz AOYPUCFXYJYGRT-KSFYIVLOSA-N 1 1 318.398 2.804 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000366643031 131248948 /nfs/dbraw/zinc/24/89/48/131248948.db2.gz PWZLQOLYZXLISY-KBPBESRZSA-N 1 1 319.386 2.922 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000366643031 131248949 /nfs/dbraw/zinc/24/89/49/131248949.db2.gz PWZLQOLYZXLISY-KBPBESRZSA-N 1 1 319.386 2.922 20 5 DFBDMO COc1ccncc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000286815708 131251331 /nfs/dbraw/zinc/25/13/31/131251331.db2.gz JZOGNKUMNIKROG-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO Cn1cc([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC000604556636 399855694 /nfs/dbraw/zinc/85/56/94/399855694.db2.gz HFIZLURLPPWCHK-LBPRGKRZSA-N 1 1 306.391 2.769 20 5 DFBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC000604556636 399855695 /nfs/dbraw/zinc/85/56/95/399855695.db2.gz HFIZLURLPPWCHK-LBPRGKRZSA-N 1 1 306.391 2.769 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172960905 145326386 /nfs/dbraw/zinc/32/63/86/145326386.db2.gz KLNUVVCIKREBQY-HONMWMINSA-N 1 1 303.362 2.510 20 5 DFBDMO COc1ccccc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174844377 145392418 /nfs/dbraw/zinc/39/24/18/145392418.db2.gz DMQBEQBGZFEGFJ-OAHLLOKOSA-N 1 1 316.361 2.637 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245776568 146103083 /nfs/dbraw/zinc/10/30/83/146103083.db2.gz AEZVSTDFFIDQAS-YPMHNXCESA-N 1 1 305.378 2.820 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000246536869 146141887 /nfs/dbraw/zinc/14/18/87/146141887.db2.gz CMLOEVQPQFSGFB-OLZOCXBDSA-N 1 1 305.378 2.678 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000247350062 146166688 /nfs/dbraw/zinc/16/66/88/146166688.db2.gz JQWNWHOQVPHKPW-XJKSGUPXSA-N 1 1 319.405 2.706 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252700143 146222997 /nfs/dbraw/zinc/22/29/97/146222997.db2.gz YFXCLFNPEZOGFE-RYUDHWBXSA-N 1 1 311.769 2.523 20 5 DFBDMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2cc([N+](=O)[O-])ccc2n1 ZINC000261947093 146308409 /nfs/dbraw/zinc/30/84/09/146308409.db2.gz VTBPFQDOJGJYMQ-OLZOCXBDSA-N 1 1 312.373 2.782 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000354351347 147005437 /nfs/dbraw/zinc/00/54/37/147005437.db2.gz CUOWQDXQWDKPRY-MNOVXSKESA-N 1 1 312.801 2.952 20 5 DFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccc1O ZINC000355309932 147260174 /nfs/dbraw/zinc/26/01/74/147260174.db2.gz HAXQDWPWAPZIEC-GFCCVEGCSA-N 1 1 301.346 2.806 20 5 DFBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000355339663 147273392 /nfs/dbraw/zinc/27/33/92/147273392.db2.gz UUJCHRIIODTLDX-KGLIPLIRSA-N 1 1 324.425 2.744 20 5 DFBDMO Cn1cc(C[N@@H+]2CC[C@@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355360120 147283774 /nfs/dbraw/zinc/28/37/74/147283774.db2.gz AFVWDBWVTUDRCA-MRXNPFEDSA-N 1 1 318.352 2.929 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355360120 147283776 /nfs/dbraw/zinc/28/37/76/147283776.db2.gz AFVWDBWVTUDRCA-MRXNPFEDSA-N 1 1 318.352 2.929 20 5 DFBDMO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cn2cc[nH+]c12 ZINC000355404151 147302451 /nfs/dbraw/zinc/30/24/51/147302451.db2.gz QCPMXZHPIKGFGR-UHFFFAOYSA-N 1 1 314.276 2.942 20 5 DFBDMO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cn2cc[nH+]c12 ZINC000355454194 147322856 /nfs/dbraw/zinc/32/28/56/147322856.db2.gz VOXBHWUKOCQZBP-UHFFFAOYSA-N 1 1 310.313 2.732 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCn4cc[nH+]c4C3)n2)c1 ZINC000349908869 285969362 /nfs/dbraw/zinc/96/93/62/285969362.db2.gz PGJIOWIRSUKXBU-LLVKDONJSA-N 1 1 311.301 2.571 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000357713116 148092675 /nfs/dbraw/zinc/09/26/75/148092675.db2.gz CVNNPWRDYVJXEB-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000357713116 148092677 /nfs/dbraw/zinc/09/26/77/148092677.db2.gz CVNNPWRDYVJXEB-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)C(F)(F)F ZINC000350285146 286024397 /nfs/dbraw/zinc/02/43/97/286024397.db2.gz FFIOKZDSQWYENM-MNOVXSKESA-N 1 1 310.247 2.525 20 5 DFBDMO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000350505859 286052314 /nfs/dbraw/zinc/05/23/14/286052314.db2.gz DSDYBZFSTFCNLH-LBPRGKRZSA-N 1 1 308.382 2.753 20 5 DFBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)C ZINC000361518293 149136567 /nfs/dbraw/zinc/13/65/67/149136567.db2.gz GNLXQQXYFUWDSW-UHFFFAOYSA-N 1 1 319.405 2.852 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361516556 149136845 /nfs/dbraw/zinc/13/68/45/149136845.db2.gz RIWPDSQAGPPKDD-GJZGRUSLSA-N 1 1 318.377 2.685 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361591494 149161125 /nfs/dbraw/zinc/16/11/25/149161125.db2.gz NPRBUCHOUBPSJR-RYUDHWBXSA-N 1 1 320.315 2.844 20 5 DFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361595931 149161775 /nfs/dbraw/zinc/16/17/75/149161775.db2.gz PURDNZWADHXHRD-QWRGUYRKSA-N 1 1 320.315 2.844 20 5 DFBDMO CSc1cccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000362893717 149391546 /nfs/dbraw/zinc/39/15/46/149391546.db2.gz OBDDSUHIZNDCLG-ZYHUDNBSSA-N 1 1 323.418 2.529 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000351327460 286121436 /nfs/dbraw/zinc/12/14/36/286121436.db2.gz LTEHUKLEFDLXKK-SLEUVZQESA-N 1 1 303.362 2.715 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000351327460 286121437 /nfs/dbraw/zinc/12/14/37/286121437.db2.gz LTEHUKLEFDLXKK-SLEUVZQESA-N 1 1 303.362 2.715 20 5 DFBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccno3)CC2)cc1 ZINC000369815801 149843420 /nfs/dbraw/zinc/84/34/20/149843420.db2.gz HAOPTRWUEFHBQF-UHFFFAOYSA-N 1 1 303.318 2.626 20 5 DFBDMO CO[C@H](C)C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000371699557 150082632 /nfs/dbraw/zinc/08/26/32/150082632.db2.gz HXMPLZABOIKELG-GFCCVEGCSA-N 1 1 305.378 2.609 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000373773485 150256440 /nfs/dbraw/zinc/25/64/40/150256440.db2.gz URIDONDLNBVKFA-BMFZPTHFSA-N 1 1 320.389 2.849 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000373774822 150256496 /nfs/dbraw/zinc/25/64/96/150256496.db2.gz YTXQSOXAQQWOAL-ZDUSSCGKSA-N 1 1 316.361 2.706 20 5 DFBDMO CCOc1cc(C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351633767 286176618 /nfs/dbraw/zinc/17/66/18/286176618.db2.gz LYIXVWXQCRNDOB-UKRRQHHQSA-N 1 1 322.405 2.976 20 5 DFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374025056 150294564 /nfs/dbraw/zinc/29/45/64/150294564.db2.gz HUVGWCQMWQXDHV-CKEIUWERSA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374025056 150294567 /nfs/dbraw/zinc/29/45/67/150294567.db2.gz HUVGWCQMWQXDHV-CKEIUWERSA-N 1 1 320.389 2.753 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000374362423 150352416 /nfs/dbraw/zinc/35/24/16/150352416.db2.gz OYUGLTRWQSLIIF-AWEZNQCLSA-N 1 1 320.389 2.852 20 5 DFBDMO CC[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000374444217 150368302 /nfs/dbraw/zinc/36/83/02/150368302.db2.gz PVMOVODECZJGQW-ZFWWWQNUSA-N 1 1 300.362 2.916 20 5 DFBDMO Cc1c([C@@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)cccc1[N+](=O)[O-] ZINC000374469075 150371536 /nfs/dbraw/zinc/37/15/36/150371536.db2.gz NDONZYZJMOGBPK-YPMHNXCESA-N 1 1 300.362 2.834 20 5 DFBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CCOCC1 ZINC000351716553 286201353 /nfs/dbraw/zinc/20/13/53/286201353.db2.gz AHZRTRBPGMCUTE-UHFFFAOYSA-N 1 1 300.305 2.731 20 5 DFBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CCOCC1 ZINC000351716553 286201355 /nfs/dbraw/zinc/20/13/55/286201355.db2.gz AHZRTRBPGMCUTE-UHFFFAOYSA-N 1 1 300.305 2.731 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000351751886 286210037 /nfs/dbraw/zinc/21/00/37/286210037.db2.gz DTDKOWHHELZAOW-WDEREUQCSA-N 1 1 312.316 2.731 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000351751886 286210038 /nfs/dbraw/zinc/21/00/38/286210038.db2.gz DTDKOWHHELZAOW-WDEREUQCSA-N 1 1 312.316 2.731 20 5 DFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000351942369 286251667 /nfs/dbraw/zinc/25/16/67/286251667.db2.gz FSHYNBYMSZSAOH-CQSZACIVSA-N 1 1 308.378 2.852 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352045059 286278768 /nfs/dbraw/zinc/27/87/68/286278768.db2.gz IWKYISWFPQNXSE-LLVKDONJSA-N 1 1 313.348 2.789 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352073421 286285630 /nfs/dbraw/zinc/28/56/30/286285630.db2.gz GRURSIHAUFZNQM-ZDUSSCGKSA-N 1 1 321.421 2.719 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360077 286353074 /nfs/dbraw/zinc/35/30/74/286353074.db2.gz LOKAEPJQRLXRHS-IUODEOHRSA-N 1 1 314.389 2.919 20 5 DFBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352408978 286366195 /nfs/dbraw/zinc/36/61/95/286366195.db2.gz XENIFNNLZJNVSU-HFBDOXOYSA-N 1 1 314.332 2.854 20 5 DFBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352408978 286366197 /nfs/dbraw/zinc/36/61/97/286366197.db2.gz XENIFNNLZJNVSU-HFBDOXOYSA-N 1 1 314.332 2.854 20 5 DFBDMO CC(C)[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000352422260 286369232 /nfs/dbraw/zinc/36/92/32/286369232.db2.gz QPSUNKVSHUZHRT-HNNXBMFYSA-N 1 1 313.348 2.645 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000276480403 286384153 /nfs/dbraw/zinc/38/41/53/286384153.db2.gz SAEFGPJHHSFRNX-LBPRGKRZSA-N 1 1 308.378 2.729 20 5 DFBDMO Cn1cncc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352478742 286384214 /nfs/dbraw/zinc/38/42/14/286384214.db2.gz AAZFJDTVICOHPS-UHFFFAOYSA-N 1 1 312.329 2.878 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246214768 292288492 /nfs/dbraw/zinc/28/84/92/292288492.db2.gz ASBVDWGSGIXGQI-DZGCQCFKSA-N 1 1 316.405 2.751 20 5 DFBDMO CCOC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352690230 286442091 /nfs/dbraw/zinc/44/20/91/286442091.db2.gz CKUUIZDAAMVRDT-UHFFFAOYSA-N 1 1 324.352 2.899 20 5 DFBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000182070814 158000731 /nfs/dbraw/zinc/00/07/31/158000731.db2.gz LEKZXWDOQVEEMN-GFCCVEGCSA-N 1 1 306.362 2.677 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246322606 158085019 /nfs/dbraw/zinc/08/50/19/158085019.db2.gz FQUUDZLHGUATBF-TZMCWYRMSA-N 1 1 320.393 2.753 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000247922606 158152401 /nfs/dbraw/zinc/15/24/01/158152401.db2.gz BIVXLHGUCWPBIK-WMLDXEAASA-N 1 1 320.389 2.601 20 5 DFBDMO CCOc1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301558362 158220037 /nfs/dbraw/zinc/22/00/37/158220037.db2.gz XIEKBJKCLSCMNH-CHWSQXEVSA-N 1 1 323.393 2.515 20 5 DFBDMO CCOc1cc(N(C)[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000356748268 158312360 /nfs/dbraw/zinc/31/23/60/158312360.db2.gz VDFHVKGTQDMHHD-AWEZNQCLSA-N 1 1 305.378 2.666 20 5 DFBDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000357082054 158361567 /nfs/dbraw/zinc/36/15/67/158361567.db2.gz WRVQRPMQOBJTGQ-CABCVRRESA-N 1 1 324.425 2.707 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000133918483 196345971 /nfs/dbraw/zinc/34/59/71/196345971.db2.gz JCPKDVJCYAHKRC-LBPRGKRZSA-N 1 1 323.368 2.584 20 5 DFBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC(C)(C)C ZINC000134477900 196394580 /nfs/dbraw/zinc/39/45/80/196394580.db2.gz IOGRRELZYFNRGU-VIFPVBQESA-N 1 1 313.785 2.641 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000054460355 425890701 /nfs/dbraw/zinc/89/07/01/425890701.db2.gz PMBIFMFEUFNQMR-NSHDSACASA-N 1 1 323.418 2.531 20 5 DFBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)C ZINC000291171425 222192171 /nfs/dbraw/zinc/19/21/71/222192171.db2.gz GYYUJAUDTDKRAX-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067376958 425910117 /nfs/dbraw/zinc/91/01/17/425910117.db2.gz NEZMVJQUTRLDRQ-CZUORRHYSA-N 1 1 317.389 2.822 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007811851 425653326 /nfs/dbraw/zinc/65/33/26/425653326.db2.gz VMMKOLCYTJEOMQ-TXEJJXNPSA-N 1 1 305.378 2.820 20 5 DFBDMO CC(C)[N@@H+](CCN1CCOC[C@@H]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000192701074 268045501 /nfs/dbraw/zinc/04/55/01/268045501.db2.gz RCXBPMHCZWATHN-HNNXBMFYSA-N 1 1 321.421 2.526 20 5 DFBDMO O=C(C[N@H+]1CCC[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000245447897 268164168 /nfs/dbraw/zinc/16/41/68/268164168.db2.gz MLTQJZAWPVPEJZ-TZMCWYRMSA-N 1 1 303.362 2.798 20 5 DFBDMO CCC1(CO)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000270913885 268234512 /nfs/dbraw/zinc/23/45/12/268234512.db2.gz QOPRCVLSRFDELE-UHFFFAOYSA-N 1 1 319.361 2.721 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000276376442 268261261 /nfs/dbraw/zinc/26/12/61/268261261.db2.gz FGJROLVQXORJLV-CYBMUJFWSA-N 1 1 318.377 2.524 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCNC[C@H]2c2ccccc2)cc1 ZINC000313362955 268339955 /nfs/dbraw/zinc/33/99/55/268339955.db2.gz MBGNCEYBUJKBNR-SFHVURJKSA-N 1 1 311.385 2.784 20 5 DFBDMO CC(C)c1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000331008720 268355014 /nfs/dbraw/zinc/35/50/14/268355014.db2.gz CUAZZENNRFWPDP-CHWSQXEVSA-N 1 1 319.405 2.883 20 5 DFBDMO CC(C)c1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000331008720 268355015 /nfs/dbraw/zinc/35/50/15/268355015.db2.gz CUAZZENNRFWPDP-CHWSQXEVSA-N 1 1 319.405 2.883 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000107686540 425999135 /nfs/dbraw/zinc/99/91/35/425999135.db2.gz ICQBPTQNXXYHTK-AWEZNQCLSA-N 1 1 308.378 2.722 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)cc([N+](=O)[O-])c1 ZINC000337337478 268479082 /nfs/dbraw/zinc/47/90/82/268479082.db2.gz DYWMFBQNOBKIIG-HNNXBMFYSA-N 1 1 319.405 2.753 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000073101964 426023624 /nfs/dbraw/zinc/02/36/24/426023624.db2.gz MBQGBZQJSZFGIH-WFASDCNBSA-N 1 1 317.389 2.848 20 5 DFBDMO Cc1ccnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000161915451 426045482 /nfs/dbraw/zinc/04/54/82/426045482.db2.gz ADLZSASRSVWQDM-UKRRQHHQSA-N 1 1 316.405 2.751 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000112310996 426072293 /nfs/dbraw/zinc/07/22/93/426072293.db2.gz GKEUVYGUAWMNEI-UHFFFAOYSA-N 1 1 313.785 2.710 20 5 DFBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000112080148 426064712 /nfs/dbraw/zinc/06/47/12/426064712.db2.gz FTWNCUFTNDMBEM-LBPRGKRZSA-N 1 1 300.362 2.531 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000075860755 426087596 /nfs/dbraw/zinc/08/75/96/426087596.db2.gz LUPMTCNCZAQGDJ-OAHLLOKOSA-N 1 1 321.421 2.910 20 5 DFBDMO CC1(C)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076015517 426093132 /nfs/dbraw/zinc/09/31/32/426093132.db2.gz AFRGVMAAUSUXJL-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000112983698 426099654 /nfs/dbraw/zinc/09/96/54/426099654.db2.gz NTZXAYBXBKSHEF-UHFFFAOYSA-N 1 1 311.769 2.919 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)CC2CC2)c([N+](=O)[O-])c1 ZINC000112983872 426101150 /nfs/dbraw/zinc/10/11/50/426101150.db2.gz SWBLXVRNPDHMHZ-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000077319006 426127626 /nfs/dbraw/zinc/12/76/26/426127626.db2.gz QNPPLXJQZUHAHK-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000077319006 426127628 /nfs/dbraw/zinc/12/76/28/426127628.db2.gz QNPPLXJQZUHAHK-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128832802 426134749 /nfs/dbraw/zinc/13/47/49/426134749.db2.gz ZCYPEPUDWTXCCY-WDEREUQCSA-N 1 1 309.341 2.793 20 5 DFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000114458732 426136252 /nfs/dbraw/zinc/13/62/52/426136252.db2.gz SITFPXBHGVOCAT-IAGOWNOFSA-N 1 1 322.405 2.989 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075503410 426075135 /nfs/dbraw/zinc/07/51/35/426075135.db2.gz GSVCYITYFQYPIK-AWEZNQCLSA-N 1 1 320.393 2.933 20 5 DFBDMO CCC(CC)C[N@@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114725746 426142407 /nfs/dbraw/zinc/14/24/07/426142407.db2.gz YSDBPBVSRAXTHL-UHFFFAOYSA-N 1 1 307.394 2.952 20 5 DFBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521492 426166610 /nfs/dbraw/zinc/16/66/10/426166610.db2.gz XBLAWABBXXSSKU-ZIAGYGMSSA-N 1 1 322.409 2.539 20 5 DFBDMO CSc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000171109606 426170314 /nfs/dbraw/zinc/17/03/14/426170314.db2.gz LOZQZQASTNAYCF-JTQLQIEISA-N 1 1 323.418 2.529 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319854 426188148 /nfs/dbraw/zinc/18/81/48/426188148.db2.gz RGLQYIKDZKXXSJ-OCCSQVGLSA-N 1 1 300.362 2.879 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171617405 426199604 /nfs/dbraw/zinc/19/96/04/426199604.db2.gz OZZZLPBTEWYWMJ-WFASDCNBSA-N 1 1 301.350 2.584 20 5 DFBDMO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000171951195 426219994 /nfs/dbraw/zinc/21/99/94/426219994.db2.gz KTNVTHKCXLGHAQ-IUODEOHRSA-N 1 1 305.378 2.678 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000171952516 426220582 /nfs/dbraw/zinc/22/05/82/426220582.db2.gz XHYOEQSIRMOZIW-LBPRGKRZSA-N 1 1 323.393 2.910 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570442 426224613 /nfs/dbraw/zinc/22/46/13/426224613.db2.gz KIDMYYRWWRNCIH-CQSZACIVSA-N 1 1 321.421 2.767 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572618 426224689 /nfs/dbraw/zinc/22/46/89/426224689.db2.gz BLJOLDJRGNQZAH-MRXNPFEDSA-N 1 1 305.422 2.801 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137076926 426250272 /nfs/dbraw/zinc/25/02/72/426250272.db2.gz TYNWFFYSNKFGLN-WDEREUQCSA-N 1 1 323.780 2.557 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000174972357 426270831 /nfs/dbraw/zinc/27/08/31/426270831.db2.gz QMDXIWXNPUTILG-HUUCEWRRSA-N 1 1 317.389 2.602 20 5 DFBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1CCC1 ZINC000117341188 426212304 /nfs/dbraw/zinc/21/23/04/426212304.db2.gz URHOKXJJGPYPIE-UHFFFAOYSA-N 1 1 319.361 2.625 20 5 DFBDMO C[N@@H+](CCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000135310837 426212715 /nfs/dbraw/zinc/21/27/15/426212715.db2.gz FPXQDLZRPMKUJC-UHFFFAOYSA-N 1 1 311.769 2.919 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000135302339 426213239 /nfs/dbraw/zinc/21/32/39/426213239.db2.gz SLFSLQAAVPSJQT-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@H](CSC)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000091099515 426339603 /nfs/dbraw/zinc/33/96/03/426339603.db2.gz ICUPOAACEPZUKK-LLVKDONJSA-N 1 1 311.407 2.607 20 5 DFBDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000121278908 426331579 /nfs/dbraw/zinc/33/15/79/426331579.db2.gz HYIDPBLNKIJDFB-UHFFFAOYSA-N 1 1 313.423 2.687 20 5 DFBDMO CCOC(=O)CCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607636 426277392 /nfs/dbraw/zinc/27/73/92/426277392.db2.gz UFJFQIPRKDTTLK-UHFFFAOYSA-N 1 1 306.362 2.686 20 5 DFBDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000119362888 426283165 /nfs/dbraw/zinc/28/31/65/426283165.db2.gz QGKLKMCSWWOVCF-ZDUSSCGKSA-N 1 1 319.405 2.952 20 5 DFBDMO CCC[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153616911 426396073 /nfs/dbraw/zinc/39/60/73/426396073.db2.gz YRIYRLYCOSWRDL-UHFFFAOYSA-N 1 1 320.393 2.853 20 5 DFBDMO COCC[N@@H+](C)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153758741 426404121 /nfs/dbraw/zinc/40/41/21/426404121.db2.gz HYXYEBKSEDHYSQ-AWEZNQCLSA-N 1 1 309.410 2.522 20 5 DFBDMO COCCN(C)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153758741 426404130 /nfs/dbraw/zinc/40/41/30/426404130.db2.gz HYXYEBKSEDHYSQ-AWEZNQCLSA-N 1 1 309.410 2.522 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCSC3(CCCCC3)C2)n1 ZINC000175970365 426342840 /nfs/dbraw/zinc/34/28/40/426342840.db2.gz HFLUUQIWLVGZDW-UHFFFAOYSA-N 1 1 310.423 2.543 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1c(F)cc([N+](=O)[O-])cc1F ZINC000121757729 426352527 /nfs/dbraw/zinc/35/25/27/426352527.db2.gz QXYDHTSGEMWABM-MNOVXSKESA-N 1 1 311.332 2.936 20 5 DFBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000121701398 426352551 /nfs/dbraw/zinc/35/25/51/426352551.db2.gz VYKYVFXFXCQNTK-VIFPVBQESA-N 1 1 308.288 2.805 20 5 DFBDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176208494 426360888 /nfs/dbraw/zinc/36/08/88/426360888.db2.gz RTVLVGBXGYSXTD-GFCCVEGCSA-N 1 1 306.391 2.862 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122508063 426379894 /nfs/dbraw/zinc/37/98/94/426379894.db2.gz LJJKMJYGIGAQBC-OLZOCXBDSA-N 1 1 305.378 2.901 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000122999856 426407796 /nfs/dbraw/zinc/40/77/96/426407796.db2.gz ANOPXALESQJDGC-OLZOCXBDSA-N 1 1 305.378 2.901 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153922062 426413830 /nfs/dbraw/zinc/41/38/30/426413830.db2.gz ABINWUDBZFUDDE-NEPJUHHUSA-N 1 1 310.785 2.706 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(CCC2)C1 ZINC000123416465 426432247 /nfs/dbraw/zinc/43/22/47/426432247.db2.gz SNBFJOXVBKHOHH-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123415597 426432316 /nfs/dbraw/zinc/43/23/16/426432316.db2.gz QWOVLWLLEPVBGF-QTPKMNKOSA-N 1 1 317.389 2.549 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000341068152 269037985 /nfs/dbraw/zinc/03/79/85/269037985.db2.gz YFYRTKPFSAQVFK-OKILXGFUSA-N 1 1 319.405 2.516 20 5 DFBDMO COC1CC[NH+](C(C)(C)CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000341285526 269060538 /nfs/dbraw/zinc/06/05/38/269060538.db2.gz KSGMQZNTWVBIRB-UHFFFAOYSA-N 1 1 321.421 2.574 20 5 DFBDMO CS[C@H]1CCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154663491 426450927 /nfs/dbraw/zinc/45/09/27/426450927.db2.gz WJQVJFXOXDEXEX-GJZGRUSLSA-N 1 1 310.419 2.846 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000177250303 426460747 /nfs/dbraw/zinc/46/07/47/426460747.db2.gz LOEOOYCSPKHXCK-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1nn(C)c(Nc2ccc(N3CCCC3)[nH+]c2C)c1[N+](=O)[O-] ZINC000154963968 426460834 /nfs/dbraw/zinc/46/08/34/426460834.db2.gz YMKAUMLLXFMUIS-UHFFFAOYSA-N 1 1 316.365 2.684 20 5 DFBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000177305566 426465543 /nfs/dbraw/zinc/46/55/43/426465543.db2.gz WVCDARCIGXHWAO-WBVHZDCISA-N 1 1 303.406 2.696 20 5 DFBDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1ccc([N+](=O)[O-])cc1 ZINC000177305566 426465546 /nfs/dbraw/zinc/46/55/46/426465546.db2.gz WVCDARCIGXHWAO-WBVHZDCISA-N 1 1 303.406 2.696 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1ccc([N+](=O)[O-])cc1 ZINC000177305566 426465549 /nfs/dbraw/zinc/46/55/49/426465549.db2.gz WVCDARCIGXHWAO-WBVHZDCISA-N 1 1 303.406 2.696 20 5 DFBDMO CC[N@@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000102068890 426487756 /nfs/dbraw/zinc/48/77/56/426487756.db2.gz CLXYIJXVJAGUSP-UHFFFAOYSA-N 1 1 306.366 2.509 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264163170 426508366 /nfs/dbraw/zinc/50/83/66/426508366.db2.gz IRDVMRCLTUDCBE-NSHDSACASA-N 1 1 318.377 2.536 20 5 DFBDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000280154356 426508504 /nfs/dbraw/zinc/50/85/04/426508504.db2.gz DXAINJXBYPDITE-OAHLLOKOSA-N 1 1 323.349 2.894 20 5 DFBDMO CC[N@@H+](CCOC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264188282 426511988 /nfs/dbraw/zinc/51/19/88/426511988.db2.gz LXPGRAHDDFBKKG-UHFFFAOYSA-N 1 1 319.361 2.761 20 5 DFBDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177849077 426530529 /nfs/dbraw/zinc/53/05/29/426530529.db2.gz JECIJRYJIBUNSO-CYBMUJFWSA-N 1 1 307.394 2.926 20 5 DFBDMO Cc1c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000280252843 426531536 /nfs/dbraw/zinc/53/15/36/426531536.db2.gz BQJKUZFUOLHRJP-QGZVFWFLSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1c(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000280252843 426531540 /nfs/dbraw/zinc/53/15/40/426531540.db2.gz BQJKUZFUOLHRJP-QGZVFWFLSA-N 1 1 320.389 2.673 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H]1C ZINC000177874965 426531940 /nfs/dbraw/zinc/53/19/40/426531940.db2.gz QBKPBNOWQWXUGW-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H]1C ZINC000177869966 426533379 /nfs/dbraw/zinc/53/33/79/426533379.db2.gz XOXULYQGNWYATA-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000288817251 426537192 /nfs/dbraw/zinc/53/71/92/426537192.db2.gz MVFNFGZBHOZUFO-KRWDZBQOSA-N 1 1 322.405 2.978 20 5 DFBDMO CS[C@@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272517528 426546970 /nfs/dbraw/zinc/54/69/70/426546970.db2.gz KLIIYTQYMFETKV-FZMZJTMJSA-N 1 1 320.418 2.759 20 5 DFBDMO CCOC(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000194857331 426494002 /nfs/dbraw/zinc/49/40/02/426494002.db2.gz HBBZALPDJNNVFK-UHFFFAOYSA-N 1 1 321.377 2.567 20 5 DFBDMO CCOC(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000194857331 426494005 /nfs/dbraw/zinc/49/40/05/426494005.db2.gz HBBZALPDJNNVFK-UHFFFAOYSA-N 1 1 321.377 2.567 20 5 DFBDMO Cc1cccc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000273071501 426587602 /nfs/dbraw/zinc/58/76/02/426587602.db2.gz JLACMMVKYLHXND-OAHLLOKOSA-N 1 1 300.362 2.589 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000265195917 426595384 /nfs/dbraw/zinc/59/53/84/426595384.db2.gz ZINOSWTZUAREIV-KRWDZBQOSA-N 1 1 300.358 2.803 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280552289 426598664 /nfs/dbraw/zinc/59/86/64/426598664.db2.gz UJZOESJRSVALAY-DVOMOZLQSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280552289 426598671 /nfs/dbraw/zinc/59/86/71/426598671.db2.gz UJZOESJRSVALAY-DVOMOZLQSA-N 1 1 306.362 2.536 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280593787 426609319 /nfs/dbraw/zinc/60/93/19/426609319.db2.gz UNBBRRYXHCOCCA-KEYYUXOJSA-N 1 1 320.389 2.844 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280593787 426609322 /nfs/dbraw/zinc/60/93/22/426609322.db2.gz UNBBRRYXHCOCCA-KEYYUXOJSA-N 1 1 320.389 2.844 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CC2)C1 ZINC000186975271 426615225 /nfs/dbraw/zinc/61/52/25/426615225.db2.gz YSSJUEKCYRQMIM-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CC2)C1 ZINC000186975271 426615227 /nfs/dbraw/zinc/61/52/27/426615227.db2.gz YSSJUEKCYRQMIM-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO O=C1[C@@H]([N@@H+]2CCCC3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000186991402 426617476 /nfs/dbraw/zinc/61/74/76/426617476.db2.gz HRTMCKAWSLFKGE-HNNXBMFYSA-N 1 1 315.373 2.576 20 5 DFBDMO O=C1[C@@H]([N@H+]2CCCC3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000186991402 426617483 /nfs/dbraw/zinc/61/74/83/426617483.db2.gz HRTMCKAWSLFKGE-HNNXBMFYSA-N 1 1 315.373 2.576 20 5 DFBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000273299663 426637770 /nfs/dbraw/zinc/63/77/70/426637770.db2.gz RDYMSBIFERJDJI-ACCUITESSA-N 1 1 317.389 2.551 20 5 DFBDMO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000289385703 426643097 /nfs/dbraw/zinc/64/30/97/426643097.db2.gz CAXCTKYODLAREZ-HOTGVXAUSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000289385703 426643103 /nfs/dbraw/zinc/64/31/03/426643103.db2.gz CAXCTKYODLAREZ-HOTGVXAUSA-N 1 1 320.389 2.993 20 5 DFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273365795 426652126 /nfs/dbraw/zinc/65/21/26/426652126.db2.gz FYUFJZAHXVOSDQ-HZMBPMFUSA-N 1 1 324.356 2.538 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273372971 426652195 /nfs/dbraw/zinc/65/21/95/426652195.db2.gz GYGITJMSZQHWER-NSHDSACASA-N 1 1 324.356 2.587 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000280776264 426652921 /nfs/dbraw/zinc/65/29/21/426652921.db2.gz PPGCWGDKLBJQJL-UHFFFAOYSA-N 1 1 303.362 2.884 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC(C)=C(C)C1 ZINC000280776264 426652925 /nfs/dbraw/zinc/65/29/25/426652925.db2.gz PPGCWGDKLBJQJL-UHFFFAOYSA-N 1 1 303.362 2.884 20 5 DFBDMO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000273408532 426660056 /nfs/dbraw/zinc/66/00/56/426660056.db2.gz MFFQPEJOVUWQBR-UHFFFAOYSA-N 1 1 304.302 2.573 20 5 DFBDMO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000178411304 426625038 /nfs/dbraw/zinc/62/50/38/426625038.db2.gz SQYJEBMNTWGYPI-QFIPXVFZSA-N 1 1 318.398 2.964 20 5 DFBDMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000178411304 426625040 /nfs/dbraw/zinc/62/50/40/426625040.db2.gz SQYJEBMNTWGYPI-QFIPXVFZSA-N 1 1 318.398 2.964 20 5 DFBDMO CC[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1cccc([N+](=O)[O-])c1 ZINC000187711881 426687681 /nfs/dbraw/zinc/68/76/81/426687681.db2.gz MPELERQRVMESPG-CQSZACIVSA-N 1 1 303.318 2.528 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000187935064 426707294 /nfs/dbraw/zinc/70/72/94/426707294.db2.gz TZYZYTALLOYZGO-GFCCVEGCSA-N 1 1 321.377 2.664 20 5 DFBDMO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000290535773 426787500 /nfs/dbraw/zinc/78/75/00/426787500.db2.gz LEVRNYIMWVFROS-GMTAPVOTSA-N 1 1 320.349 2.719 20 5 DFBDMO COc1cc(C[N@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])cc1F ZINC000274214586 426725027 /nfs/dbraw/zinc/72/50/27/426725027.db2.gz BJBZYNILHDZBGX-GFCCVEGCSA-N 1 1 312.341 2.743 20 5 DFBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])cc1F ZINC000274214586 426725032 /nfs/dbraw/zinc/72/50/32/426725032.db2.gz BJBZYNILHDZBGX-GFCCVEGCSA-N 1 1 312.341 2.743 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc([N+](=O)[O-])c1C ZINC000245432004 426736020 /nfs/dbraw/zinc/73/60/20/426736020.db2.gz OKRUTAYZFHTYCP-HOTGVXAUSA-N 1 1 303.406 2.962 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179153573 426759591 /nfs/dbraw/zinc/75/95/91/426759591.db2.gz YDVCDKSJWOKFNG-LBPRGKRZSA-N 1 1 312.753 2.776 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179153573 426759595 /nfs/dbraw/zinc/75/95/95/426759595.db2.gz YDVCDKSJWOKFNG-LBPRGKRZSA-N 1 1 312.753 2.776 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000266669108 426760667 /nfs/dbraw/zinc/76/06/67/426760667.db2.gz ONNBDJRSIMFYGV-ZIAGYGMSSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000266695268 426763433 /nfs/dbraw/zinc/76/34/33/426763433.db2.gz FOQHKKRRCKTHMX-KGLIPLIRSA-N 1 1 304.394 2.750 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3ccnc3)CC2)c(F)c1 ZINC000267023832 426811744 /nfs/dbraw/zinc/81/17/44/426811744.db2.gz RXWMVZUIVLIVNU-UHFFFAOYSA-N 1 1 304.325 2.768 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267054935 426818468 /nfs/dbraw/zinc/81/84/68/426818468.db2.gz OPJDHFOXBWQNRE-AWEZNQCLSA-N 1 1 305.378 2.718 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000267087442 426821609 /nfs/dbraw/zinc/82/16/09/426821609.db2.gz ZXXFZHSAZVQYEV-GFCCVEGCSA-N 1 1 308.378 2.586 20 5 DFBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccccc1 ZINC000267088618 426822405 /nfs/dbraw/zinc/82/24/05/426822405.db2.gz PJAKYTJHCXXCSW-AWEZNQCLSA-N 1 1 318.377 2.501 20 5 DFBDMO CCc1ccc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000267092499 426823126 /nfs/dbraw/zinc/82/31/26/426823126.db2.gz QKEXHUQHWHUIOQ-CYBMUJFWSA-N 1 1 304.350 2.784 20 5 DFBDMO COc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000290745368 426829659 /nfs/dbraw/zinc/82/96/59/426829659.db2.gz HWJMARQIXNMCOE-UWVGGRQHSA-N 1 1 309.341 2.780 20 5 DFBDMO CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])OCCO1 ZINC000290864032 426858000 /nfs/dbraw/zinc/85/80/00/426858000.db2.gz KTRVDMUFSQHDSK-UHFFFAOYSA-N 1 1 321.160 2.754 20 5 DFBDMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000267217434 426847693 /nfs/dbraw/zinc/84/76/93/426847693.db2.gz NBJTWJQWXHELCG-LLVKDONJSA-N 1 1 321.768 2.817 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295197884 426859082 /nfs/dbraw/zinc/85/90/82/426859082.db2.gz JUYOCSHSDSDJHP-HNNXBMFYSA-N 1 1 322.405 2.976 20 5 DFBDMO C[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000267996285 426888691 /nfs/dbraw/zinc/88/86/91/426888691.db2.gz RBSUGFCIVIHGJD-NXEZZACHSA-N 1 1 323.780 2.603 20 5 DFBDMO CC(C)c1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000189693732 426926298 /nfs/dbraw/zinc/92/62/98/426926298.db2.gz YQPFUKUWMMWKGP-GFCCVEGCSA-N 1 1 319.405 2.931 20 5 DFBDMO CC(C)n1cc[nH+]c1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291558525 426913296 /nfs/dbraw/zinc/91/32/96/426913296.db2.gz CAPGUGDLWGLFAN-UHFFFAOYSA-N 1 1 312.329 2.735 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000247199895 426914088 /nfs/dbraw/zinc/91/40/88/426914088.db2.gz LOAXZBSFGYUDNC-JQWIXIFHSA-N 1 1 323.780 2.557 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1F ZINC000283064287 426945771 /nfs/dbraw/zinc/94/57/71/426945771.db2.gz JQXAKCLTUBOOHA-CJNGLKHVSA-N 1 1 308.353 2.861 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181444526 426948674 /nfs/dbraw/zinc/94/86/74/426948674.db2.gz QKSNYRZNKHYYOK-BBRMVZONSA-N 1 1 322.405 2.976 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000247531681 426950330 /nfs/dbraw/zinc/95/03/30/426950330.db2.gz XOWGTDXGWVXDMP-PWSUYJOCSA-N 1 1 323.780 2.557 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000247541288 426951072 /nfs/dbraw/zinc/95/10/72/426951072.db2.gz YALOGASTWJCOLL-NHYWBVRUSA-N 1 1 323.368 2.536 20 5 DFBDMO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000283091155 426951376 /nfs/dbraw/zinc/95/13/76/426951376.db2.gz LGZRVKUVOZNCCN-LLVKDONJSA-N 1 1 302.334 2.553 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000248337359 426990085 /nfs/dbraw/zinc/99/00/85/426990085.db2.gz HJTWAAFDFWKQRF-MNOVXSKESA-N 1 1 302.334 2.875 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295550786 427003961 /nfs/dbraw/zinc/00/39/61/427003961.db2.gz SEKDSNJXGHIDNZ-CQSZACIVSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H]1CCCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000248582613 427015102 /nfs/dbraw/zinc/01/51/02/427015102.db2.gz WNJIFRDKFWEDKY-CJNGLKHVSA-N 1 1 317.389 2.822 20 5 DFBDMO CC[C@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295808000 427018980 /nfs/dbraw/zinc/01/89/80/427018980.db2.gz WOZWZYYQKVIMCQ-SNVBAGLBSA-N 1 1 306.284 2.816 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182172785 427021486 /nfs/dbraw/zinc/02/14/86/427021486.db2.gz YXJODQWBSUPICY-SMDDNHRTSA-N 1 1 309.797 2.917 20 5 DFBDMO Cc1nc(N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000268450075 427021954 /nfs/dbraw/zinc/02/19/54/427021954.db2.gz FPVCAAUPAPHBDS-INIZCTEOSA-N 1 1 312.373 2.791 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295974254 427032671 /nfs/dbraw/zinc/03/26/71/427032671.db2.gz KNDUUIODSOOLPX-AGUYFDCRSA-N 1 1 305.378 2.778 20 5 DFBDMO COc1cc(C[N@H+](C(C)C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000291963837 427040084 /nfs/dbraw/zinc/04/00/84/427040084.db2.gz VFIZXHKMJJYLDZ-GFCCVEGCSA-N 1 1 312.341 2.742 20 5 DFBDMO COc1cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000291963837 427040092 /nfs/dbraw/zinc/04/00/92/427040092.db2.gz VFIZXHKMJJYLDZ-GFCCVEGCSA-N 1 1 312.341 2.742 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276351140 427042780 /nfs/dbraw/zinc/04/27/80/427042780.db2.gz WJWUHBPBFIAOBC-AWEZNQCLSA-N 1 1 309.385 2.898 20 5 DFBDMO COc1ccc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296069594 427067496 /nfs/dbraw/zinc/06/74/96/427067496.db2.gz PTIOQGIYEKYJPP-CYBMUJFWSA-N 1 1 319.405 2.520 20 5 DFBDMO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000268651926 427080648 /nfs/dbraw/zinc/08/06/48/427080648.db2.gz VBQCUVSTFAWEKL-NWDGAFQWSA-N 1 1 324.402 2.636 20 5 DFBDMO COC(=O)C[C@@H]1CSCC[N@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000268651926 427080653 /nfs/dbraw/zinc/08/06/53/427080653.db2.gz VBQCUVSTFAWEKL-NWDGAFQWSA-N 1 1 324.402 2.636 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000338001265 427085605 /nfs/dbraw/zinc/08/56/05/427085605.db2.gz RSKDSCUAAFIBOW-KBPBESRZSA-N 1 1 319.405 2.896 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000338002585 427087096 /nfs/dbraw/zinc/08/70/96/427087096.db2.gz RSKDSCUAAFIBOW-ZIAGYGMSSA-N 1 1 319.405 2.896 20 5 DFBDMO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000268795075 427118431 /nfs/dbraw/zinc/11/84/31/427118431.db2.gz BLHDJZBTWHKNCS-WCQYABFASA-N 1 1 323.368 2.663 20 5 DFBDMO CC(C)c1[nH+]ccn1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000182856442 427156726 /nfs/dbraw/zinc/15/67/26/427156726.db2.gz VKVIMOJHVPTGBP-UHFFFAOYSA-N 1 1 316.361 2.573 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000175054332 271144962 /nfs/dbraw/zinc/14/49/62/271144962.db2.gz RRHSEGWIXXLRGV-DOTOQJQBSA-N 1 1 303.406 2.696 20 5 DFBDMO CCOC(=O)[C@@H](CC)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190645954 271216235 /nfs/dbraw/zinc/21/62/35/271216235.db2.gz VTIOCMJISLDFCS-MRXNPFEDSA-N 1 1 320.389 2.943 20 5 DFBDMO CCOC(=O)[C@@H](CC)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190645954 271216237 /nfs/dbraw/zinc/21/62/37/271216237.db2.gz VTIOCMJISLDFCS-MRXNPFEDSA-N 1 1 320.389 2.943 20 5 DFBDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000272441283 271317948 /nfs/dbraw/zinc/31/79/48/271317948.db2.gz BDPWUQQXXUDRJQ-UKRRQHHQSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1nc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000292334368 427177291 /nfs/dbraw/zinc/17/72/91/427177291.db2.gz PPAFSSJAMSSBAQ-LBPRGKRZSA-N 1 1 304.394 2.609 20 5 DFBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1F ZINC000284336299 427183158 /nfs/dbraw/zinc/18/31/58/427183158.db2.gz XDPLFSSFVQNVEQ-RISCZKNCSA-N 1 1 323.368 2.501 20 5 DFBDMO CO[C@H]1C[C@@H](CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)[N@@H+](C)C1 ZINC000284976844 427203851 /nfs/dbraw/zinc/20/38/51/427203851.db2.gz XOBZXTHJVBXDHN-KBMXLJTQSA-N 1 1 321.421 2.615 20 5 DFBDMO CO[C@H]1C[C@@H](C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)N(C)C1 ZINC000284976844 427203859 /nfs/dbraw/zinc/20/38/59/427203859.db2.gz XOBZXTHJVBXDHN-KBMXLJTQSA-N 1 1 321.421 2.615 20 5 DFBDMO CO[C@H]1C[C@@H](C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)N(C)C1 ZINC000284976844 427203864 /nfs/dbraw/zinc/20/38/64/427203864.db2.gz XOBZXTHJVBXDHN-KBMXLJTQSA-N 1 1 321.421 2.615 20 5 DFBDMO Cc1nc(NCCC[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000296524168 427211975 /nfs/dbraw/zinc/21/19/75/427211975.db2.gz MYJVZMFYDKOTLT-UHFFFAOYSA-N 1 1 315.377 2.627 20 5 DFBDMO C[C@H]1CC[C@](CO)([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454129 427236335 /nfs/dbraw/zinc/23/63/35/427236335.db2.gz YIKLJZHNHKGVHV-BONVTDFDSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454129 427236345 /nfs/dbraw/zinc/23/63/45/427236345.db2.gz YIKLJZHNHKGVHV-BONVTDFDSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454133 427236765 /nfs/dbraw/zinc/23/67/65/427236765.db2.gz YIKLJZHNHKGVHV-ZUZCIYMTSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454133 427236770 /nfs/dbraw/zinc/23/67/70/427236770.db2.gz YIKLJZHNHKGVHV-ZUZCIYMTSA-N 1 1 314.332 2.856 20 5 DFBDMO CC(C)C(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000330421983 427236835 /nfs/dbraw/zinc/23/68/35/427236835.db2.gz QLMCGONDJRUYRZ-HIFRSBDPSA-N 1 1 319.405 2.892 20 5 DFBDMO CC(C)C(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000330421983 427236839 /nfs/dbraw/zinc/23/68/39/427236839.db2.gz QLMCGONDJRUYRZ-HIFRSBDPSA-N 1 1 319.405 2.892 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1C ZINC000183391492 427261622 /nfs/dbraw/zinc/26/16/22/427261622.db2.gz NVNXYEQGCANWGK-WBVHZDCISA-N 1 1 303.406 2.962 20 5 DFBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1C ZINC000183391492 427261635 /nfs/dbraw/zinc/26/16/35/427261635.db2.gz NVNXYEQGCANWGK-WBVHZDCISA-N 1 1 303.406 2.962 20 5 DFBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1C ZINC000183391492 427261642 /nfs/dbraw/zinc/26/16/42/427261642.db2.gz NVNXYEQGCANWGK-WBVHZDCISA-N 1 1 303.406 2.962 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613824 427276485 /nfs/dbraw/zinc/27/64/85/427276485.db2.gz RPHWUPZIJDADGO-HIFRSBDPSA-N 1 1 321.421 2.908 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000270426014 427352644 /nfs/dbraw/zinc/35/26/44/427352644.db2.gz AHWKJIWSKIOJIO-UHFFFAOYSA-N 1 1 312.333 2.836 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C(C)CC1 ZINC000270345424 427326191 /nfs/dbraw/zinc/32/61/91/427326191.db2.gz OTWDRFXUQXAHMS-UHFFFAOYSA-N 1 1 303.362 2.884 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285750866 427326345 /nfs/dbraw/zinc/32/63/45/427326345.db2.gz YSLVFOLRPRKIJA-CYBMUJFWSA-N 1 1 318.295 2.874 20 5 DFBDMO CO[C@H](C)C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285784219 427338601 /nfs/dbraw/zinc/33/86/01/427338601.db2.gz SRVXGEDZHICEEV-LLVKDONJSA-N 1 1 305.334 2.717 20 5 DFBDMO CO[C@H](C)C[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285784219 427338608 /nfs/dbraw/zinc/33/86/08/427338608.db2.gz SRVXGEDZHICEEV-LLVKDONJSA-N 1 1 305.334 2.717 20 5 DFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000331113054 427348476 /nfs/dbraw/zinc/34/84/76/427348476.db2.gz JJNIMTJGYPRLLP-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000262091264 427351206 /nfs/dbraw/zinc/35/12/06/427351206.db2.gz IAUXDBJQHKUAHH-VXGBXAGGSA-N 1 1 300.362 2.625 20 5 DFBDMO COC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000271044348 427384891 /nfs/dbraw/zinc/38/48/91/427384891.db2.gz OYHHMYPXAGLAPX-UHFFFAOYSA-N 1 1 316.304 2.807 20 5 DFBDMO Cc1c(C[N@@H+](CCO)[C@@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000331275667 427390584 /nfs/dbraw/zinc/39/05/84/427390584.db2.gz XOVLGKGLDLQZLQ-CQSZACIVSA-N 1 1 310.419 2.593 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286013233 427402605 /nfs/dbraw/zinc/40/26/05/427402605.db2.gz FGQWFKRMWFMFEX-JTQLQIEISA-N 1 1 321.406 2.886 20 5 DFBDMO COc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000271097698 427404542 /nfs/dbraw/zinc/40/45/42/427404542.db2.gz NNDMKVFHHSKZDC-DGCLKSJQSA-N 1 1 323.368 2.663 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(F)c1 ZINC000286030230 427408603 /nfs/dbraw/zinc/40/86/03/427408603.db2.gz PUNRQMFSJOQCDQ-JTQLQIEISA-N 1 1 312.316 2.874 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(F)c1 ZINC000286030230 427408606 /nfs/dbraw/zinc/40/86/06/427408606.db2.gz PUNRQMFSJOQCDQ-JTQLQIEISA-N 1 1 312.316 2.874 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCCC1 ZINC000297824284 427464893 /nfs/dbraw/zinc/46/48/93/427464893.db2.gz JKPUTJBFUPXDDS-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4F)[C@H]1[C@H]3C2 ZINC000286251506 427469058 /nfs/dbraw/zinc/46/90/58/427469058.db2.gz APCXODPYDOOZOW-GSJWJAIFSA-N 1 1 306.337 2.589 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293887600 427477025 /nfs/dbraw/zinc/47/70/25/427477025.db2.gz DFEQSHFBVIPGHH-BETUJISGSA-N 1 1 319.405 2.685 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293887600 427477031 /nfs/dbraw/zinc/47/70/31/427477031.db2.gz DFEQSHFBVIPGHH-BETUJISGSA-N 1 1 319.405 2.685 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278880315 427486433 /nfs/dbraw/zinc/48/64/33/427486433.db2.gz TUFJUSCOHWGNMT-MFKMUULPSA-N 1 1 318.295 2.903 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000338641351 427421040 /nfs/dbraw/zinc/42/10/40/427421040.db2.gz HTBGTFFVYQRPKJ-BETUJISGSA-N 1 1 323.393 2.515 20 5 DFBDMO COc1cc(C[NH2+][C@@H](C)c2cccnc2)c([N+](=O)[O-])cc1F ZINC000184299212 427430796 /nfs/dbraw/zinc/43/07/96/427430796.db2.gz SASPVSKGROOXEH-JTQLQIEISA-N 1 1 305.309 2.988 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000271337819 427501665 /nfs/dbraw/zinc/50/16/65/427501665.db2.gz NXODRXSBLXDMAX-AWEZNQCLSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000271337819 427501671 /nfs/dbraw/zinc/50/16/71/427501671.db2.gz NXODRXSBLXDMAX-AWEZNQCLSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000271337819 427501676 /nfs/dbraw/zinc/50/16/76/427501676.db2.gz NXODRXSBLXDMAX-AWEZNQCLSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000271337819 427501680 /nfs/dbraw/zinc/50/16/80/427501680.db2.gz NXODRXSBLXDMAX-AWEZNQCLSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000271337819 427501685 /nfs/dbraw/zinc/50/16/85/427501685.db2.gz NXODRXSBLXDMAX-AWEZNQCLSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1noc([C@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000332081602 427503691 /nfs/dbraw/zinc/50/36/91/427503691.db2.gz MKESZDYYCXRBMN-JQWIXIFHSA-N 1 1 302.334 2.837 20 5 DFBDMO Cc1noc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000332076175 427504829 /nfs/dbraw/zinc/50/48/29/427504829.db2.gz GBQQBGKKABJKON-LLVKDONJSA-N 1 1 322.752 2.929 20 5 DFBDMO Cc1noc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000332076175 427504838 /nfs/dbraw/zinc/50/48/38/427504838.db2.gz GBQQBGKKABJKON-LLVKDONJSA-N 1 1 322.752 2.929 20 5 DFBDMO Cc1noc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000332074828 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DFBDMO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+](C)Cc1ccccc1 ZINC000192453073 427542601 /nfs/dbraw/zinc/54/26/01/427542601.db2.gz GMUDSXGQHBDNIQ-LLVKDONJSA-N 1 1 306.391 2.984 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@](F)(CO)C3)o2)cc1 ZINC000338997820 427616824 /nfs/dbraw/zinc/61/68/24/427616824.db2.gz CCXXBJZSDOGLMN-MRXNPFEDSA-N 1 1 320.320 2.761 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@](F)(CO)C3)o2)cc1 ZINC000338997820 427616829 /nfs/dbraw/zinc/61/68/29/427616829.db2.gz CCXXBJZSDOGLMN-MRXNPFEDSA-N 1 1 320.320 2.761 20 5 DFBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000192522084 427557952 /nfs/dbraw/zinc/55/79/52/427557952.db2.gz RNCSUABBFVTZAA-LLVKDONJSA-N 1 1 306.391 2.984 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332244511 427558375 /nfs/dbraw/zinc/55/83/75/427558375.db2.gz SIOLUZWBBFZYMX-SUHUHFCYSA-N 1 1 310.781 2.841 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c1OCO2 ZINC000338956483 427588349 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O=[N+]([O-])c1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(F)c1 ZINC000352609018 428167995 /nfs/dbraw/zinc/16/79/95/428167995.db2.gz QIHAOSDTAUAXMV-HNNXBMFYSA-N 1 1 324.352 2.504 20 5 DFBDMO CC(C)C[C@@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000356510336 428210329 /nfs/dbraw/zinc/21/03/29/428210329.db2.gz HGAUOQZRUYGXBH-OAHLLOKOSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)C[C@@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000356510336 428210335 /nfs/dbraw/zinc/21/03/35/428210335.db2.gz HGAUOQZRUYGXBH-OAHLLOKOSA-N 1 1 308.378 2.721 20 5 DFBDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000356515427 428212133 /nfs/dbraw/zinc/21/21/33/428212133.db2.gz LCJCSMBPEJETPV-LBPRGKRZSA-N 1 1 322.336 2.509 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000341839300 428225918 /nfs/dbraw/zinc/22/59/18/428225918.db2.gz FZEWBTZQWILFHD-CYBMUJFWSA-N 1 1 319.405 2.686 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000341839300 428225922 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2.816 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C3CC3)C2)c2c(c1)COCO2 ZINC000378315475 428362248 /nfs/dbraw/zinc/36/22/48/428362248.db2.gz IZVSPTUJYKSCPA-LBPRGKRZSA-N 1 1 304.346 2.693 20 5 DFBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000371158823 428372625 /nfs/dbraw/zinc/37/26/25/428372625.db2.gz WZKBOBQZWLKUDC-FKEKPDDDSA-N 1 1 320.389 2.742 20 5 DFBDMO NC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000414869207 428439365 /nfs/dbraw/zinc/43/93/65/428439365.db2.gz AHWCSIMVMVEIIZ-UKRRQHHQSA-N 1 1 303.406 2.777 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000347105122 428446327 /nfs/dbraw/zinc/44/63/27/428446327.db2.gz MTANHMZFWVCWMK-LBPRGKRZSA-N 1 1 307.394 2.553 20 5 DFBDMO O=C(C[N@@H+]1CC[C@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000372338467 428431059 /nfs/dbraw/zinc/43/10/59/428431059.db2.gz IWENYMCFNXZEEB-NSHDSACASA-N 1 1 323.780 2.919 20 5 DFBDMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000372338467 428431067 /nfs/dbraw/zinc/43/10/67/428431067.db2.gz IWENYMCFNXZEEB-NSHDSACASA-N 1 1 323.780 2.919 20 5 DFBDMO COc1cc(C[N@@H+]([C@H](C)CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000347179673 428481827 /nfs/dbraw/zinc/48/18/27/428481827.db2.gz ZKUGKXJCUPWOOH-GFCCVEGCSA-N 1 1 308.378 2.729 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000360961110 428511269 /nfs/dbraw/zinc/51/12/69/428511269.db2.gz ORQJSUFEUKSLQO-XQQFMLRXSA-N 1 1 323.441 2.898 20 5 DFBDMO C[C@@H]([NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353391235 428518044 /nfs/dbraw/zinc/51/80/44/428518044.db2.gz BJNSLHMMFNBEPR-ABAIWWIYSA-N 1 1 300.362 2.806 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000372616186 428476466 /nfs/dbraw/zinc/47/64/66/428476466.db2.gz CQJYEFDFMFFQKL-WBMJQRKESA-N 1 1 319.361 2.539 20 5 DFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361595930 428582777 /nfs/dbraw/zinc/58/27/77/428582777.db2.gz PURDNZWADHXHRD-MNOVXSKESA-N 1 1 320.315 2.844 20 5 DFBDMO CC(C)[N@@H+](CCN1CCCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000361289657 428553214 /nfs/dbraw/zinc/55/32/14/428553214.db2.gz QTWZXXHZLMFQPW-UHFFFAOYSA-N 1 1 321.421 2.528 20 5 DFBDMO CC(C)N(CC[N@@H+]1CCCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000361289657 428553219 /nfs/dbraw/zinc/55/32/19/428553219.db2.gz QTWZXXHZLMFQPW-UHFFFAOYSA-N 1 1 321.421 2.528 20 5 DFBDMO CC(C)N(CC[N@H+]1CCCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000361289657 428553224 /nfs/dbraw/zinc/55/32/24/428553224.db2.gz QTWZXXHZLMFQPW-UHFFFAOYSA-N 1 1 321.421 2.528 20 5 DFBDMO CN(C(=O)C[N@H+]1CCCC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000373432223 428574938 /nfs/dbraw/zinc/57/49/38/428574938.db2.gz PMZICTMKBILJRQ-UHFFFAOYSA-N 1 1 317.389 2.824 20 5 DFBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000344055593 428622575 /nfs/dbraw/zinc/62/25/75/428622575.db2.gz JQSXVIJWPYFNNO-ZDUSSCGKSA-N 1 1 303.362 2.821 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000362133684 428633038 /nfs/dbraw/zinc/63/30/38/428633038.db2.gz AWAKGSMMUZQKTE-INIZCTEOSA-N 1 1 320.389 2.521 20 5 DFBDMO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000373744768 428643731 /nfs/dbraw/zinc/64/37/31/428643731.db2.gz FORCPRRAFYCNDP-CQSZACIVSA-N 1 1 318.352 2.977 20 5 DFBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000373744768 428643736 /nfs/dbraw/zinc/64/37/36/428643736.db2.gz FORCPRRAFYCNDP-CQSZACIVSA-N 1 1 318.352 2.977 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC12CCOCC2 ZINC000374297837 274118869 /nfs/dbraw/zinc/11/88/69/274118869.db2.gz RRSJKFWMSQFYRT-UHFFFAOYSA-N 1 1 306.362 2.748 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408347931 428645089 /nfs/dbraw/zinc/64/50/89/428645089.db2.gz CGTXSUOUXGYLRV-SUMWQHHRSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408347931 428645098 /nfs/dbraw/zinc/64/50/98/428645098.db2.gz CGTXSUOUXGYLRV-SUMWQHHRSA-N 1 1 320.389 2.926 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000353702405 428666415 /nfs/dbraw/zinc/66/64/15/428666415.db2.gz IPUMZBJFBURIFM-ZDUSSCGKSA-N 1 1 318.295 2.792 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000353702405 428666418 /nfs/dbraw/zinc/66/64/18/428666418.db2.gz IPUMZBJFBURIFM-ZDUSSCGKSA-N 1 1 318.295 2.792 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000362226931 428666662 /nfs/dbraw/zinc/66/66/62/428666662.db2.gz OXPLCTGWUPENFX-GFCCVEGCSA-N 1 1 323.368 2.538 20 5 DFBDMO Cc1ccc(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000353714115 428673144 /nfs/dbraw/zinc/67/31/44/428673144.db2.gz PUWABIHOBJQMJZ-GDBMZVCRSA-N 1 1 303.406 2.962 20 5 DFBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174869231 274395962 /nfs/dbraw/zinc/39/59/62/274395962.db2.gz FSWYSGVJTAQAGN-TZMCWYRMSA-N 1 1 318.352 2.808 20 5 DFBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174864772 274396295 /nfs/dbraw/zinc/39/62/95/274396295.db2.gz FPTCJTYNLNUWRZ-UKRRQHHQSA-N 1 1 300.362 2.669 20 5 DFBDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000354869992 274399436 /nfs/dbraw/zinc/39/94/36/274399436.db2.gz QWYCCUQLOKFLNB-MNOVXSKESA-N 1 1 302.334 2.875 20 5 DFBDMO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000374582871 428702833 /nfs/dbraw/zinc/70/28/33/428702833.db2.gz DWTKHWWICXZVFX-AWEZNQCLSA-N 1 1 314.389 2.935 20 5 DFBDMO Cc1noc([C@@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000344868115 428716044 /nfs/dbraw/zinc/71/60/44/428716044.db2.gz VEFCZSPRQAMYPB-KXQLTZBTSA-N 1 1 314.345 2.789 20 5 DFBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cn1 ZINC000374857491 428765581 /nfs/dbraw/zinc/76/55/81/428765581.db2.gz ASELMZIRQJDLMH-ZDUSSCGKSA-N 1 1 318.352 2.532 20 5 DFBDMO Cn1cc(C[N@H+]2C[C@H]3CCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353895584 428766538 /nfs/dbraw/zinc/76/65/38/428766538.db2.gz COLCBODUVWYQFE-CJNGLKHVSA-N 1 1 312.373 2.980 20 5 DFBDMO CC[N@@H+](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)C ZINC000353906252 428772012 /nfs/dbraw/zinc/77/20/12/428772012.db2.gz FCWMMPHMVCEWOP-UHFFFAOYSA-N 1 1 318.377 2.536 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000353924305 428780190 /nfs/dbraw/zinc/78/01/90/428780190.db2.gz WCKIPLCUBOYZDO-VXGBXAGGSA-N 1 1 320.393 2.714 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374913737 428783336 /nfs/dbraw/zinc/78/33/36/428783336.db2.gz OEQOVFFGSPCLLQ-HOTGVXAUSA-N 1 1 307.369 2.793 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000362447648 428749279 /nfs/dbraw/zinc/74/92/79/428749279.db2.gz CQLCCHOERAFLRZ-RHSMWYFYSA-N 1 1 320.389 2.865 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362453904 428750592 /nfs/dbraw/zinc/75/05/92/428750592.db2.gz XXJXCYRYSHTLRH-WFASDCNBSA-N 1 1 306.362 2.604 20 5 DFBDMO C[C@H]1CCOCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374984372 428795501 /nfs/dbraw/zinc/79/55/01/428795501.db2.gz WXFJQDDDMXOQJJ-LBPRGKRZSA-N 1 1 317.345 2.861 20 5 DFBDMO C[C@H]1CCOCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374984372 428795507 /nfs/dbraw/zinc/79/55/07/428795507.db2.gz WXFJQDDDMXOQJJ-LBPRGKRZSA-N 1 1 317.345 2.861 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359093673 428812988 /nfs/dbraw/zinc/81/29/88/428812988.db2.gz HDFWGVVVCHSVOV-UHFFFAOYSA-N 1 1 303.366 2.638 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000359095070 428814569 /nfs/dbraw/zinc/81/45/69/428814569.db2.gz JMFPSGZTURCFNP-HNNXBMFYSA-N 1 1 318.421 2.775 20 5 DFBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000354196664 428909574 /nfs/dbraw/zinc/90/95/74/428909574.db2.gz XDZWZXQPWPZKNI-OAHLLOKOSA-N 1 1 319.405 2.518 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412031951 428914487 /nfs/dbraw/zinc/91/44/87/428914487.db2.gz BLNYMARUNPLXEK-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349115867 428923522 /nfs/dbraw/zinc/92/35/22/428923522.db2.gz FKVAZTGRXYGTNN-IUODEOHRSA-N 1 1 305.378 2.646 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000451774182 428971715 /nfs/dbraw/zinc/97/17/15/428971715.db2.gz AXMRRJPIWYBNDR-CQSZACIVSA-N 1 1 310.394 2.703 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccon1 ZINC000349254162 428948997 /nfs/dbraw/zinc/94/89/97/428948997.db2.gz YDUGMMGLIMGSIW-NSHDSACASA-N 1 1 318.333 2.571 20 5 DFBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363632522 428957009 /nfs/dbraw/zinc/95/70/09/428957009.db2.gz FAAKSMIJCBRODV-IRXDYDNUSA-N 1 1 317.389 2.570 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421713499 429018366 /nfs/dbraw/zinc/01/83/66/429018366.db2.gz STIPNKPGAQWNGV-CQSZACIVSA-N 1 1 319.405 2.686 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C ZINC000354355980 428977157 /nfs/dbraw/zinc/97/71/57/428977157.db2.gz ZCIYABFXOKODJR-GHMZBOCLSA-N 1 1 323.422 2.613 20 5 DFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](CO)CC(C)(C)C ZINC000451795492 428977517 /nfs/dbraw/zinc/97/75/17/428977517.db2.gz ZGVIYLHTYUTONU-GFCCVEGCSA-N 1 1 320.393 2.700 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809719 428983223 /nfs/dbraw/zinc/98/32/23/428983223.db2.gz FJWAIUUMROLQAT-IRXDYDNUSA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809719 428983227 /nfs/dbraw/zinc/98/32/27/428983227.db2.gz FJWAIUUMROLQAT-IRXDYDNUSA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@H]1[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809719 428983234 /nfs/dbraw/zinc/98/32/34/428983234.db2.gz FJWAIUUMROLQAT-IRXDYDNUSA-N 1 1 319.405 2.532 20 5 DFBDMO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433203943 429008590 /nfs/dbraw/zinc/00/85/90/429008590.db2.gz DOUAJSMVZLPRHX-AWEZNQCLSA-N 1 1 310.419 2.939 20 5 DFBDMO [NH3+]CC(F)(F)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423342504 429070009 /nfs/dbraw/zinc/07/00/09/429070009.db2.gz LBPKDQLZPGHLRJ-HNNXBMFYSA-N 1 1 321.327 2.868 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000434959265 429116755 /nfs/dbraw/zinc/11/67/55/429116755.db2.gz KYEJXTKNTSRPAQ-ZYHUDNBSSA-N 1 1 312.801 2.952 20 5 DFBDMO O=[N+]([O-])c1ccc(NCc2c[nH+]c3n2CCCC3)c([N+](=O)[O-])c1 ZINC000376490561 429122583 /nfs/dbraw/zinc/12/25/83/429122583.db2.gz YXLSBWHIJLLJHY-UHFFFAOYSA-N 1 1 317.305 2.648 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)c2cccnc21 ZINC000413045105 429127786 /nfs/dbraw/zinc/12/77/86/429127786.db2.gz DZKQMWHJFYJBAJ-ZDUSSCGKSA-N 1 1 312.373 2.818 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261979097 275035856 /nfs/dbraw/zinc/03/58/56/275035856.db2.gz RCYLVNXAYSGSQJ-HNNXBMFYSA-N 1 1 307.369 2.698 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000301063066 275036189 /nfs/dbraw/zinc/03/61/89/275036189.db2.gz CDRJGGRMBMSAPW-UHFFFAOYSA-N 1 1 315.295 2.898 20 5 DFBDMO Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000364095785 429170452 /nfs/dbraw/zinc/17/04/52/429170452.db2.gz OQHCSRFJBKOBPN-CVEARBPZSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482377 275040322 /nfs/dbraw/zinc/04/03/22/275040322.db2.gz LHGFZSQBBVZDOK-AWEZNQCLSA-N 1 1 316.361 2.924 20 5 DFBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c(Cl)c1 ZINC000301367273 275041266 /nfs/dbraw/zinc/04/12/66/275041266.db2.gz RFXZAEUYBGDWRH-SUHUHFCYSA-N 1 1 322.796 2.564 20 5 DFBDMO COc1cccc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488750095 429195747 /nfs/dbraw/zinc/19/57/47/429195747.db2.gz NFBIBFAVIVXROZ-UMVBOHGHSA-N 1 1 319.405 2.770 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000495240627 429190669 /nfs/dbraw/zinc/19/06/69/429190669.db2.gz MTNHPQFZSPVWEV-MLGOLLRUSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@H]1[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000436362806 429198111 /nfs/dbraw/zinc/19/81/11/429198111.db2.gz QDTVVRQVHWJWIA-IUCAKERBSA-N 1 1 318.299 2.903 20 5 DFBDMO C[C@H]1CC2(CCC2)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000364613709 429234825 /nfs/dbraw/zinc/23/48/25/429234825.db2.gz ZXYFTOOYNMATQA-ZDUSSCGKSA-N 1 1 317.389 2.822 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000489451299 429242637 /nfs/dbraw/zinc/24/26/37/429242637.db2.gz RCXGSTDHBNQRTR-CQSZACIVSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000489451298 429243054 /nfs/dbraw/zinc/24/30/54/429243054.db2.gz RCXGSTDHBNQRTR-AWEZNQCLSA-N 1 1 305.378 2.962 20 5 DFBDMO CC1(C)CCC[N@@H+](CCNc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000443962331 429257548 /nfs/dbraw/zinc/25/75/48/429257548.db2.gz RFTJBHNWXRXRRH-UHFFFAOYSA-N 1 1 310.373 2.850 20 5 DFBDMO CC1(C)CCC[N@@H+](CCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000443958576 429258583 /nfs/dbraw/zinc/25/85/83/429258583.db2.gz GPKLGTDAJJKFFI-UHFFFAOYSA-N 1 1 323.422 2.838 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000501812630 429328723 /nfs/dbraw/zinc/32/87/23/429328723.db2.gz HPTGHTDXSLIWBZ-STQMWFEESA-N 1 1 308.378 2.960 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000425479374 429305924 /nfs/dbraw/zinc/30/59/24/429305924.db2.gz NVRGSTGMZPODIM-HNNXBMFYSA-N 1 1 313.348 2.645 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425496245 429309829 /nfs/dbraw/zinc/30/98/29/429309829.db2.gz AGRALQIGXMZFOT-SWLSCSKDSA-N 1 1 301.350 2.584 20 5 DFBDMO CCn1nnc(C)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000449340875 429392764 /nfs/dbraw/zinc/39/27/64/429392764.db2.gz QSVMCFMQDOWFBB-UHFFFAOYSA-N 1 1 303.366 2.540 20 5 DFBDMO COCC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426511052 429397278 /nfs/dbraw/zinc/39/72/78/429397278.db2.gz YEBWNHBDQUPXJC-OOXMNIKJSA-N 1 1 320.389 2.735 20 5 DFBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365792900 429373243 /nfs/dbraw/zinc/37/32/43/429373243.db2.gz CSRXQRAOAIQEMQ-LBPRGKRZSA-N 1 1 323.349 2.752 20 5 DFBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000491607539 429378985 /nfs/dbraw/zinc/37/89/85/429378985.db2.gz PETGDZCUWFGPSB-GFCCVEGCSA-N 1 1 324.377 2.767 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1NCCNc1cccc(C)[nH+]1 ZINC000427398139 429448624 /nfs/dbraw/zinc/44/86/24/429448624.db2.gz JOAIIMGJRXPIQQ-UHFFFAOYSA-N 1 1 316.361 2.969 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449565781 429449278 /nfs/dbraw/zinc/44/92/78/429449278.db2.gz KVNPMPJHCFJMQO-AWEZNQCLSA-N 1 1 307.394 2.520 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518706622 429430598 /nfs/dbraw/zinc/43/05/98/429430598.db2.gz PPTZNZNMBNIZGR-ZFWWWQNUSA-N 1 1 319.405 2.641 20 5 DFBDMO CCOC(=O)c1cc(N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000519615972 429471728 /nfs/dbraw/zinc/47/17/28/429471728.db2.gz RYCPXSIEOFWWPB-LBPRGKRZSA-N 1 1 323.393 2.912 20 5 DFBDMO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000519777373 429488435 /nfs/dbraw/zinc/48/84/35/429488435.db2.gz YVPIJRIMAKMPAM-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000519777373 429488441 /nfs/dbraw/zinc/48/84/41/429488441.db2.gz YVPIJRIMAKMPAM-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC2)CC1 ZINC000366685099 429494967 /nfs/dbraw/zinc/49/49/67/429494967.db2.gz PAPSDLLCONRMDH-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@@H]1CC2(CCC2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366753110 429506903 /nfs/dbraw/zinc/50/69/03/429506903.db2.gz XENFRXDGFBSMGL-UKRRQHHQSA-N 1 1 320.389 2.599 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000449784764 429509042 /nfs/dbraw/zinc/50/90/42/429509042.db2.gz CHUCCQMGMLKYDF-MRXNPFEDSA-N 1 1 321.421 2.908 20 5 DFBDMO C[C@]12CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]1C2(F)F ZINC000428734089 429549397 /nfs/dbraw/zinc/54/93/97/429549397.db2.gz YEPHLJXOLPMBEP-OCCSQVGLSA-N 1 1 322.315 2.948 20 5 DFBDMO C[C@]12CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]1C2(F)F ZINC000428734089 429549401 /nfs/dbraw/zinc/54/94/01/429549401.db2.gz YEPHLJXOLPMBEP-OCCSQVGLSA-N 1 1 322.315 2.948 20 5 DFBDMO Cc1ccnc(N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000522417886 429589453 /nfs/dbraw/zinc/58/94/53/429589453.db2.gz VCYFYQZYIOMHIJ-UHFFFAOYSA-N 1 1 306.410 2.855 20 5 DFBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429002864 429571584 /nfs/dbraw/zinc/57/15/84/429571584.db2.gz WAWYOOJGUYZUIQ-YRGRVCCFSA-N 1 1 309.435 2.818 20 5 DFBDMO CCOc1cc(CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492585530 429572704 /nfs/dbraw/zinc/57/27/04/429572704.db2.gz XMILZEGIIMVNJX-KBPBESRZSA-N 1 1 321.421 2.908 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000429774197 429632531 /nfs/dbraw/zinc/63/25/31/429632531.db2.gz MEGYOJYIZVPMEH-TZMCWYRMSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1c[nH+]c2n1CCCC2 ZINC000367391892 429638381 /nfs/dbraw/zinc/63/83/81/429638381.db2.gz JHFLMWLXEOGXMA-UHFFFAOYSA-N 1 1 314.345 2.942 20 5 DFBDMO COc1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000429256155 429593004 /nfs/dbraw/zinc/59/30/04/429593004.db2.gz VKPRFMNUPIYORR-UHFFFAOYSA-N 1 1 316.361 2.727 20 5 DFBDMO CC(C)(C)SCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367252016 429605444 /nfs/dbraw/zinc/60/54/44/429605444.db2.gz KMICINPYFYAFDI-GFCCVEGCSA-N 1 1 312.439 2.960 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429551461 429614398 /nfs/dbraw/zinc/61/43/98/429614398.db2.gz YEKZXIRKZHEFHL-ZDUSSCGKSA-N 1 1 319.405 2.894 20 5 DFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430195054 429661838 /nfs/dbraw/zinc/66/18/38/429661838.db2.gz MQFJKHZKPSXJGN-CYBMUJFWSA-N 1 1 308.378 2.852 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCc1nccs1 ZINC000430207163 429662391 /nfs/dbraw/zinc/66/23/91/429662391.db2.gz LRJINUWUEYLIKJ-UHFFFAOYSA-N 1 1 307.375 2.734 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000430204977 429663271 /nfs/dbraw/zinc/66/32/71/429663271.db2.gz SYEKEBBAHXPVKH-CZUORRHYSA-N 1 1 319.405 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCc1ccccn1 ZINC000430208306 429663886 /nfs/dbraw/zinc/66/38/86/429663886.db2.gz UIZQTXSPBNVYAP-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353549326 276050790 /nfs/dbraw/zinc/05/07/90/276050790.db2.gz PQISDZQKKJBNKD-IUODEOHRSA-N 1 1 319.405 2.931 20 5 DFBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)C(C)C ZINC000120226606 276082088 /nfs/dbraw/zinc/08/20/88/276082088.db2.gz ULPGCHZHWLJZJZ-ZDUSSCGKSA-N 1 1 319.405 2.850 20 5 DFBDMO CN1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000367553659 429670357 /nfs/dbraw/zinc/67/03/57/429670357.db2.gz QGOKBMBKSFQUSE-ULQDDVLXSA-N 1 1 303.406 2.600 20 5 DFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2cccnc21 ZINC000364994198 276134910 /nfs/dbraw/zinc/13/49/10/276134910.db2.gz CCGYHYMGJZRALB-OAHLLOKOSA-N 1 1 315.377 2.586 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000354435468 276224098 /nfs/dbraw/zinc/22/40/98/276224098.db2.gz PGTLWKDGHKXPNX-KBPBESRZSA-N 1 1 319.405 2.848 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000290949200 276231189 /nfs/dbraw/zinc/23/11/89/276231189.db2.gz PCCNNSKUQWQKHY-CYBMUJFWSA-N 1 1 307.394 2.753 20 5 DFBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000450787380 429700373 /nfs/dbraw/zinc/70/03/73/429700373.db2.gz FWVONLWGCLILDH-TXEJJXNPSA-N 1 1 311.769 2.523 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000493152733 429700541 /nfs/dbraw/zinc/70/05/41/429700541.db2.gz KWSFIRFGTZQUSC-CDNLZTBQSA-N 1 1 317.389 2.549 20 5 DFBDMO CC(C)[C@H]1[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431127128 429744427 /nfs/dbraw/zinc/74/44/27/429744427.db2.gz IVHUUJZRVSEPFM-XJKSGUPXSA-N 1 1 322.405 2.701 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000367946362 429749212 /nfs/dbraw/zinc/74/92/12/429749212.db2.gz XFGYQFKLWWYZJJ-CHWSQXEVSA-N 1 1 303.362 2.836 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367946363 429750394 /nfs/dbraw/zinc/75/03/94/429750394.db2.gz XFGYQFKLWWYZJJ-OLZOCXBDSA-N 1 1 303.362 2.836 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])[C@H]2C1 ZINC000432181112 429807111 /nfs/dbraw/zinc/80/71/11/429807111.db2.gz YUFCUYKLWYBHRQ-WBMJQRKESA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000432181107 429807511 /nfs/dbraw/zinc/80/75/11/429807511.db2.gz YUFCUYKLWYBHRQ-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO O=C(CC[N@H+]1C[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000368098423 429786868 /nfs/dbraw/zinc/78/68/68/429786868.db2.gz JMASHPBKAWBRKO-TZMCWYRMSA-N 1 1 303.362 2.798 20 5 DFBDMO CC[N@H+]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432336151 429816103 /nfs/dbraw/zinc/81/61/03/429816103.db2.gz NPNHZIBSDVLAOW-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451423529 429827638 /nfs/dbraw/zinc/82/76/38/429827638.db2.gz RYBHEWSXOSHOCS-LZWOXQAQSA-N 1 1 320.389 2.599 20 5 DFBDMO CCO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000451524948 429842367 /nfs/dbraw/zinc/84/23/67/429842367.db2.gz FMDRXMARRVIBKY-XHDPSFHLSA-N 1 1 318.377 2.718 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000451524948 429842369 /nfs/dbraw/zinc/84/23/69/429842369.db2.gz FMDRXMARRVIBKY-XHDPSFHLSA-N 1 1 318.377 2.718 20 5 DFBDMO CCOCC[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543154 429847854 /nfs/dbraw/zinc/84/78/54/429847854.db2.gz BAIYRUVQOKQDTI-RDJZCZTQSA-N 1 1 322.405 2.562 20 5 DFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000451552817 429851076 /nfs/dbraw/zinc/85/10/76/429851076.db2.gz YZSMNQPBSGBRNO-DOMZBBRYSA-N 1 1 308.378 2.850 20 5 DFBDMO CC(C)CNC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451555532 429853353 /nfs/dbraw/zinc/85/33/53/429853353.db2.gz BXQDQUXLIGFYTA-OAHLLOKOSA-N 1 1 319.405 2.546 20 5 DFBDMO CC(C)CNC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451555532 429853356 /nfs/dbraw/zinc/85/33/56/429853356.db2.gz BXQDQUXLIGFYTA-OAHLLOKOSA-N 1 1 319.405 2.546 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451720810 429877499 /nfs/dbraw/zinc/87/74/99/429877499.db2.gz YNNQCJWPDUMRAI-IOASZLSFSA-N 1 1 320.389 2.586 20 5 DFBDMO Cc1cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000368660963 429884120 /nfs/dbraw/zinc/88/41/20/429884120.db2.gz WXZYTAKCUDOUDH-DZGCQCFKSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000368690959 429888212 /nfs/dbraw/zinc/88/82/12/429888212.db2.gz YAYUFATVOWWTIA-JKSUJKDBSA-N 1 1 317.389 2.602 20 5 DFBDMO COc1ccc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000368824955 429896777 /nfs/dbraw/zinc/89/67/77/429896777.db2.gz MWEWKXLNKVIJRG-ZDUSSCGKSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1c(C[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000368839656 429898150 /nfs/dbraw/zinc/89/81/50/429898150.db2.gz XOJHNVUHACMHBW-KCXAZCMYSA-N 1 1 317.389 2.522 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368874046 429899556 /nfs/dbraw/zinc/89/95/56/429899556.db2.gz CAWOZLJRBKNEAK-NEBFAKBJSA-N 1 1 301.390 2.824 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368874046 429899557 /nfs/dbraw/zinc/89/95/57/429899557.db2.gz CAWOZLJRBKNEAK-NEBFAKBJSA-N 1 1 301.390 2.824 20 5 DFBDMO Cc1cc(N(C)C[C@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000369237002 429921342 /nfs/dbraw/zinc/92/13/42/429921342.db2.gz AULLJCHJZLIPNQ-CYBMUJFWSA-N 1 1 300.362 2.799 20 5 DFBDMO Cc1cccc(C(=O)N2CCC[N@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000369308845 429923213 /nfs/dbraw/zinc/92/32/13/429923213.db2.gz CNBVSGFIKLRTOR-UHFFFAOYSA-N 1 1 319.405 2.707 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000369470089 429951026 /nfs/dbraw/zinc/95/10/26/429951026.db2.gz VCTJPAAKWHPCPR-GDBMZVCRSA-N 1 1 306.362 2.747 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000369470090 429951401 /nfs/dbraw/zinc/95/14/01/429951401.db2.gz VCTJPAAKWHPCPR-GOEBONIOSA-N 1 1 306.362 2.747 20 5 DFBDMO C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000557740860 429953180 /nfs/dbraw/zinc/95/31/80/429953180.db2.gz HGYJSGDAURRYPE-MRXNPFEDSA-N 1 1 311.385 2.958 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCN(C)C1 ZINC000530326483 430110549 /nfs/dbraw/zinc/11/05/49/430110549.db2.gz VSVLHDYVJZVELE-IHWMJMDHSA-N 1 1 303.406 2.930 20 5 DFBDMO CC(=O)c1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000561159839 430078500 /nfs/dbraw/zinc/07/85/00/430078500.db2.gz SQRWWNUYRSDVIA-ZDUSSCGKSA-N 1 1 305.378 2.940 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000531341618 430138258 /nfs/dbraw/zinc/13/82/58/430138258.db2.gz KDEDVJAJOYXSQM-AWEZNQCLSA-N 1 1 300.362 2.838 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000531341618 430138262 /nfs/dbraw/zinc/13/82/62/430138262.db2.gz KDEDVJAJOYXSQM-AWEZNQCLSA-N 1 1 300.362 2.838 20 5 DFBDMO CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182697360 277036963 /nfs/dbraw/zinc/03/69/63/277036963.db2.gz WGWZITSGCNWSNJ-UKRRQHHQSA-N 1 1 319.405 2.812 20 5 DFBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]2C1 ZINC000278293513 277199186 /nfs/dbraw/zinc/19/91/86/277199186.db2.gz CXTQTRDPDPRUMB-AOOOYVTPSA-N 1 1 315.295 2.611 20 5 DFBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1)C1CC1 ZINC000547108952 430377131 /nfs/dbraw/zinc/37/71/31/430377131.db2.gz NTQOGCZFXGLQRE-UHFFFAOYSA-N 1 1 302.334 2.938 20 5 DFBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1)C1CC1 ZINC000547108952 430377135 /nfs/dbraw/zinc/37/71/35/430377135.db2.gz NTQOGCZFXGLQRE-UHFFFAOYSA-N 1 1 302.334 2.938 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000568881968 430401540 /nfs/dbraw/zinc/40/15/40/430401540.db2.gz ZVFNNWXTSJHRPH-CQSZACIVSA-N 1 1 313.357 2.988 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000569320210 430443226 /nfs/dbraw/zinc/44/32/26/430443226.db2.gz ZORXLRIYBZQCJK-ZDUSSCGKSA-N 1 1 320.393 2.715 20 5 DFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(N)nc1 ZINC000592431279 430494844 /nfs/dbraw/zinc/49/48/44/430494844.db2.gz OSSZNYPKUBEUKY-UHFFFAOYSA-N 1 1 300.362 2.983 20 5 DFBDMO CC[N@H+]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000570031060 430506545 /nfs/dbraw/zinc/50/65/45/430506545.db2.gz AGIRUIWOQRJTGA-LBPRGKRZSA-N 1 1 321.377 2.586 20 5 DFBDMO Cc1cnc(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000571320015 430621075 /nfs/dbraw/zinc/62/10/75/430621075.db2.gz FDLYWJVGMUBASQ-UHFFFAOYSA-N 1 1 312.373 2.602 20 5 DFBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174864754 279004832 /nfs/dbraw/zinc/00/48/32/279004832.db2.gz FPTCJTYNLNUWRZ-HIFRSBDPSA-N 1 1 300.362 2.669 20 5 DFBDMO CC[C@@H](C)[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090526576 280122123 /nfs/dbraw/zinc/12/21/23/280122123.db2.gz KERRFTIDGWHJDI-OLZOCXBDSA-N 1 1 307.394 2.656 20 5 DFBDMO Cc1c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000360356598 280205959 /nfs/dbraw/zinc/20/59/59/280205959.db2.gz WXWFJBLNEXWGFR-HZPDHXFCSA-N 1 1 317.389 2.602 20 5 DFBDMO C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000292722674 288256663 /nfs/dbraw/zinc/25/66/63/288256663.db2.gz HNRDJKYANKFYTL-DTORHVGOSA-N 1 1 318.299 2.537 20 5 DFBDMO C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000292722674 288256667 /nfs/dbraw/zinc/25/66/67/288256667.db2.gz HNRDJKYANKFYTL-DTORHVGOSA-N 1 1 318.299 2.537 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000182831119 281022836 /nfs/dbraw/zinc/02/28/36/281022836.db2.gz BWVAXMRMIXGHSB-GXFFZTMASA-N 1 1 318.295 2.963 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000182831119 281022837 /nfs/dbraw/zinc/02/28/37/281022837.db2.gz BWVAXMRMIXGHSB-GXFFZTMASA-N 1 1 318.295 2.963 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000361377110 281185365 /nfs/dbraw/zinc/18/53/65/281185365.db2.gz IIYTYCLWRKJABC-GOEBONIOSA-N 1 1 317.389 2.684 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000115517891 281540200 /nfs/dbraw/zinc/54/02/00/281540200.db2.gz KHUPAAHBZCTXEX-ZDUSSCGKSA-N 1 1 315.377 2.899 20 5 DFBDMO CC1=C(C)C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361624315 289071150 /nfs/dbraw/zinc/07/11/50/289071150.db2.gz QEEVMHUKKGFFDT-ZDUSSCGKSA-N 1 1 303.362 2.964 20 5 DFBDMO CC1=C(C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361624315 289071152 /nfs/dbraw/zinc/07/11/52/289071152.db2.gz QEEVMHUKKGFFDT-ZDUSSCGKSA-N 1 1 303.362 2.964 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000292449178 295254248 /nfs/dbraw/zinc/25/42/48/295254248.db2.gz ZAXVVRHLWYKKHC-ZDUSSCGKSA-N 1 1 319.405 2.914 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000157604293 295350701 /nfs/dbraw/zinc/35/07/01/295350701.db2.gz IEILYFMLRKVCKQ-TUAOUCFPSA-N 1 1 321.377 2.803 20 5 DFBDMO CN(c1ccccc1)c1ccc(C[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000157722613 295352289 /nfs/dbraw/zinc/35/22/89/295352289.db2.gz SGOYMYJDPKFUDF-UHFFFAOYSA-N 1 1 315.373 2.787 20 5 DFBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439690220 297135382 /nfs/dbraw/zinc/13/53/82/297135382.db2.gz AIXGUFJZCMLSDM-MRXNPFEDSA-N 1 1 319.405 2.835 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CC[NH3+])C1 ZINC000443069864 297214809 /nfs/dbraw/zinc/21/48/09/297214809.db2.gz KRDMSJRELQMEDF-CQSZACIVSA-N 1 1 321.421 2.943 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000443954521 297229059 /nfs/dbraw/zinc/22/90/59/297229059.db2.gz CSEQEBLNFCIIQT-DGCLKSJQSA-N 1 1 320.393 2.816 20 5 DFBDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000444765269 297249793 /nfs/dbraw/zinc/24/97/93/297249793.db2.gz DHEYWQMYKGZMAS-CYBMUJFWSA-N 1 1 305.378 2.562 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000447816638 297318536 /nfs/dbraw/zinc/31/85/36/297318536.db2.gz LVZSDHTXNMRVQH-JTQLQIEISA-N 1 1 323.422 2.836 20 5 DFBDMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000447897190 297324559 /nfs/dbraw/zinc/32/45/59/297324559.db2.gz LNTCKHJWNQZBSC-HNNXBMFYSA-N 1 1 309.385 2.944 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000447897190 297324560 /nfs/dbraw/zinc/32/45/60/297324560.db2.gz LNTCKHJWNQZBSC-HNNXBMFYSA-N 1 1 309.385 2.944 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000454145854 298126310 /nfs/dbraw/zinc/12/63/10/298126310.db2.gz LYYMFGSGDVBJTA-CYBMUJFWSA-N 1 1 320.393 2.851 20 5 DFBDMO Cc1cc(NC(=O)NCCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000455101169 298300205 /nfs/dbraw/zinc/30/02/05/298300205.db2.gz YTLLMPWRNPICQT-UHFFFAOYSA-N 1 1 320.393 2.899 20 5 DFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000510130515 300244533 /nfs/dbraw/zinc/24/45/33/300244533.db2.gz FZZBXAANHKKRJS-GASCZTMLSA-N 1 1 308.378 2.991 20 5 DFBDMO C[N@@H+]1CC=C(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000516923535 300369629 /nfs/dbraw/zinc/36/96/29/300369629.db2.gz BSMYFAPBRIOVLY-UHFFFAOYSA-N 1 1 302.378 2.542 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[NH+]2C3CCC2CC3)cccc1[N+](=O)[O-] ZINC000532466545 301154238 /nfs/dbraw/zinc/15/42/38/301154238.db2.gz QIGRXFNUPJNAHE-HIFPTAJRSA-N 1 1 303.362 2.857 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000533255555 301193261 /nfs/dbraw/zinc/19/32/61/301193261.db2.gz SYABKNHLJDTTBD-UHFFFAOYSA-N 1 1 312.801 2.954 20 5 DFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533295421 301194258 /nfs/dbraw/zinc/19/42/58/301194258.db2.gz ZHKRNPNMEZFUKS-GHMZBOCLSA-N 1 1 302.334 2.875 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000533290759 301194631 /nfs/dbraw/zinc/19/46/31/301194631.db2.gz JCDRPAXJJLJLTP-IJLUTSLNSA-N 1 1 323.418 2.748 20 5 DFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C)cc1 ZINC000534872590 301239394 /nfs/dbraw/zinc/23/93/94/301239394.db2.gz SWJVLPBJQRSRIM-UHFFFAOYSA-N 1 1 315.373 2.587 20 5 DFBDMO COc1cc(C)[nH+]c(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000535248263 301251515 /nfs/dbraw/zinc/25/15/15/301251515.db2.gz ULKZSOWMZLGPCC-UHFFFAOYSA-N 1 1 313.357 2.865 20 5 DFBDMO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000539089282 301337827 /nfs/dbraw/zinc/33/78/27/301337827.db2.gz QUNJDTCMPSRWQR-RHSMWYFYSA-N 1 1 305.422 2.847 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000563590065 302084702 /nfs/dbraw/zinc/08/47/02/302084702.db2.gz NSHFMIAAEZWMDZ-HNNXBMFYSA-N 1 1 313.357 2.858 20 5 DFBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000565155906 302198481 /nfs/dbraw/zinc/19/84/81/302198481.db2.gz GQBHRACIJBNJKV-LBPRGKRZSA-N 1 1 320.780 2.971 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000567331218 302350395 /nfs/dbraw/zinc/35/03/95/302350395.db2.gz FZWSUYOIVCFLJL-AWEZNQCLSA-N 1 1 313.357 2.988 20 5 DFBDMO CC[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181892751 316076492 /nfs/dbraw/zinc/07/64/92/316076492.db2.gz VAGKWXXMMZJUKN-GJZGRUSLSA-N 1 1 322.405 2.847 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000317403159 316248398 /nfs/dbraw/zinc/24/83/98/316248398.db2.gz GZGCTIUCFJYZKK-LBPRGKRZSA-N 1 1 300.362 2.897 20 5 DFBDMO CC1(C)CCCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446068488 317001917 /nfs/dbraw/zinc/00/19/17/317001917.db2.gz DBSYHQPFCSTDBE-OAHLLOKOSA-N 1 1 322.405 2.847 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000488043616 317363095 /nfs/dbraw/zinc/36/30/95/317363095.db2.gz QWDGZPDEQKKLIH-INIZCTEOSA-N 1 1 321.421 2.766 20 5 DFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000575132467 318066133 /nfs/dbraw/zinc/06/61/33/318066133.db2.gz SDKBFBGIJBCTOL-NWDGAFQWSA-N 1 1 300.362 2.672 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000575774155 318082942 /nfs/dbraw/zinc/08/29/42/318082942.db2.gz MVRRRVHBLNRRQH-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000576527043 318132317 /nfs/dbraw/zinc/13/23/17/318132317.db2.gz OHQAFWXUUNYWDZ-HNNXBMFYSA-N 1 1 313.357 2.858 20 5 DFBDMO CC[N@@H+](C)CCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000577380269 318189128 /nfs/dbraw/zinc/18/91/28/318189128.db2.gz WTWFTIIRCAXTIZ-GFCCVEGCSA-N 1 1 305.300 2.740 20 5 DFBDMO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1[C@@H]1CCCO1 ZINC000577904748 318225294 /nfs/dbraw/zinc/22/52/94/318225294.db2.gz URJVVBHJIITHIS-JKSUJKDBSA-N 1 1 320.389 2.863 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N1CCC2(CCC[N@H+]2C)CC1 ZINC000579859587 318359654 /nfs/dbraw/zinc/35/96/54/318359654.db2.gz XXGJNPQGQYYJGK-UHFFFAOYSA-N 1 1 305.378 2.668 20 5 DFBDMO CC(C)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000189756618 323226458 /nfs/dbraw/zinc/22/64/58/323226458.db2.gz LICFFAGLAWAPLI-ZDUSSCGKSA-N 1 1 319.405 2.790 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000389805082 323338593 /nfs/dbraw/zinc/33/85/93/323338593.db2.gz AFUPIEXAJNGLPW-CJNGLKHVSA-N 1 1 312.373 2.922 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000580465408 323391141 /nfs/dbraw/zinc/39/11/41/323391141.db2.gz HPNJKMSTCCBXFR-UXLLHSPISA-N 1 1 301.390 2.799 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000580465408 323391142 /nfs/dbraw/zinc/39/11/42/323391142.db2.gz HPNJKMSTCCBXFR-UXLLHSPISA-N 1 1 301.390 2.799 20 5 DFBDMO C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000292671044 533938650 /nfs/dbraw/zinc/93/86/50/533938650.db2.gz MDSMZPWFRHOZFD-JTQLQIEISA-N 1 1 310.304 2.907 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000317323797 534810392 /nfs/dbraw/zinc/81/03/92/534810392.db2.gz WGJIWNUQFOFIPV-WDEREUQCSA-N 1 1 323.780 2.605 20 5 DFBDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363811119 525198881 /nfs/dbraw/zinc/19/88/81/525198881.db2.gz CIKDGUCNYFHJEJ-ZIAGYGMSSA-N 1 1 318.377 2.652 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330873532 527755772 /nfs/dbraw/zinc/75/57/72/527755772.db2.gz SJDALFMOOGBSNN-UKRRQHHQSA-N 1 1 321.421 2.908 20 5 DFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@@H+](C)C(C)C ZINC000354483578 534993505 /nfs/dbraw/zinc/99/35/05/534993505.db2.gz WTIPBAWMGYPVCY-UHFFFAOYSA-N 1 1 307.394 2.672 20 5 DFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362604464 535094113 /nfs/dbraw/zinc/09/41/13/535094113.db2.gz UBATZMKYAKVZGS-CJNGLKHVSA-N 1 1 319.405 2.530 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCCCn1cc[nH+]c1C ZINC000360985606 535970239 /nfs/dbraw/zinc/97/02/39/535970239.db2.gz PMAFQTHELUUIKC-UHFFFAOYSA-N 1 1 306.370 2.517 20 5 DFBDMO CCc1nn(C)c(NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354557214 536181184 /nfs/dbraw/zinc/18/11/84/536181184.db2.gz CKKUXPUABSOVFG-NWDGAFQWSA-N 1 1 309.414 2.566 20 5 DFBDMO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390908 214136609 /nfs/dbraw/zinc/13/66/09/214136609.db2.gz CWMKSHLFTCZRHY-GJZGRUSLSA-N 1 1 321.421 2.746 20 5 DFBDMO C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390908 214136611 /nfs/dbraw/zinc/13/66/11/214136611.db2.gz CWMKSHLFTCZRHY-GJZGRUSLSA-N 1 1 321.421 2.746 20 5 DFBDMO C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000318281534 231168014 /nfs/dbraw/zinc/16/80/14/231168014.db2.gz LKDDPPUKTDUYFL-RKDXNWHRSA-N 1 1 318.299 2.903 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000322601537 231211635 /nfs/dbraw/zinc/21/16/35/231211635.db2.gz MVOVPMZRSZLTME-SQWLQELKSA-N 1 1 320.389 2.729 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC34CCC4)o2)cc1 ZINC000081545423 398357373 /nfs/dbraw/zinc/35/73/73/398357373.db2.gz CCRZFLLJGBEVMJ-UHFFFAOYSA-N 1 1 300.318 2.773 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC34CCC4)o2)cc1 ZINC000081545423 398357376 /nfs/dbraw/zinc/35/73/76/398357376.db2.gz CCRZFLLJGBEVMJ-UHFFFAOYSA-N 1 1 300.318 2.773 20 5 DFBDMO C[N@@H+]1C[C@H]2CN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000596214273 398358408 /nfs/dbraw/zinc/35/84/08/398358408.db2.gz REXXWGMWZVRABX-AOOOYVTPSA-N 1 1 315.295 2.611 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000066203182 398362754 /nfs/dbraw/zinc/36/27/54/398362754.db2.gz UKTXKKUJTBWOTM-LBPRGKRZSA-N 1 1 308.382 2.755 20 5 DFBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC12CCCCC2 ZINC000596251076 398367889 /nfs/dbraw/zinc/36/78/89/398367889.db2.gz LQHCTKHNHFYVNO-UHFFFAOYSA-N 1 1 308.357 2.584 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCSCC1 ZINC000089982678 185273859 /nfs/dbraw/zinc/27/38/59/185273859.db2.gz DSYPYYFOKBXTOX-UHFFFAOYSA-N 1 1 323.418 2.671 20 5 DFBDMO COCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092537481 185324677 /nfs/dbraw/zinc/32/46/77/185324677.db2.gz VVMSNFSSNYSSLZ-UHFFFAOYSA-N 1 1 304.293 2.665 20 5 DFBDMO NC(=O)CC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092660045 185332012 /nfs/dbraw/zinc/33/20/12/185332012.db2.gz UWVMNLWVGFLMHK-BTKRWWFXSA-N 1 1 317.389 2.586 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000092616011 185328848 /nfs/dbraw/zinc/32/88/48/185328848.db2.gz NZECJVNEEHBFSK-BIENSFFJSA-N 1 1 301.390 2.778 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092705244 185334641 /nfs/dbraw/zinc/33/46/41/185334641.db2.gz AHBQJJVTMRGYCF-SBJJXXPASA-N 1 1 317.389 2.599 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092705244 185334642 /nfs/dbraw/zinc/33/46/42/185334642.db2.gz AHBQJJVTMRGYCF-SBJJXXPASA-N 1 1 317.389 2.599 20 5 DFBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000015143439 398392808 /nfs/dbraw/zinc/39/28/08/398392808.db2.gz JHTLRMGMIHGKLT-UHFFFAOYSA-N 1 1 303.387 2.979 20 5 DFBDMO O=[N+]([O-])c1cnccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000066796343 398399397 /nfs/dbraw/zinc/39/93/97/398399397.db2.gz IAGXKDNPOANPEI-QPJJXVBHSA-N 1 1 324.384 2.825 20 5 DFBDMO CC[N@H+](CCSC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592200092 398400979 /nfs/dbraw/zinc/40/09/79/398400979.db2.gz WEVCFBIVEAXCPF-UHFFFAOYSA-N 1 1 322.390 2.830 20 5 DFBDMO CC[N@@H+](CCSC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592200092 398400984 /nfs/dbraw/zinc/40/09/84/398400984.db2.gz WEVCFBIVEAXCPF-UHFFFAOYSA-N 1 1 322.390 2.830 20 5 DFBDMO CC[N@H+](CCSC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000592201447 398401355 /nfs/dbraw/zinc/40/13/55/398401355.db2.gz GSXSXHICQVENEL-UHFFFAOYSA-N 1 1 302.371 2.927 20 5 DFBDMO CC[N@@H+](CCSC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000592201447 398401358 /nfs/dbraw/zinc/40/13/58/398401358.db2.gz GSXSXHICQVENEL-UHFFFAOYSA-N 1 1 302.371 2.927 20 5 DFBDMO C[C@H](C1CC1)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181554487 199316766 /nfs/dbraw/zinc/31/67/66/199316766.db2.gz LNVKBRLMHDRICD-DOMZBBRYSA-N 1 1 320.389 2.597 20 5 DFBDMO Cc1nc(N(C)CCC[N@@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000286661034 219109852 /nfs/dbraw/zinc/10/98/52/219109852.db2.gz XAHYHWJXFKIWML-UHFFFAOYSA-N 1 1 318.377 2.850 20 5 DFBDMO CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596457620 398417999 /nfs/dbraw/zinc/41/79/99/398417999.db2.gz OTABAHZONNRLAZ-CQSZACIVSA-N 1 1 306.366 2.543 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000596541558 398443223 /nfs/dbraw/zinc/44/32/23/398443223.db2.gz HLXNQXYCUSCLJE-UHFFFAOYSA-N 1 1 311.411 2.836 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000585796074 398447696 /nfs/dbraw/zinc/44/76/96/398447696.db2.gz IUGFCDXLZBLWGN-STQMWFEESA-N 1 1 305.378 2.633 20 5 DFBDMO Cc1cnc(NC[C@H]2CC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000596557329 398447121 /nfs/dbraw/zinc/44/71/21/398447121.db2.gz HLVHERDUURCXGD-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+]CCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272554483 398449233 /nfs/dbraw/zinc/44/92/33/398449233.db2.gz RZLQTBOMXUQMMR-HNNXBMFYSA-N 1 1 300.362 2.807 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026161119 398450668 /nfs/dbraw/zinc/45/06/68/398450668.db2.gz RXBVZVNCPADZMT-BETUJISGSA-N 1 1 305.378 2.901 20 5 DFBDMO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCOC1 ZINC000586760790 398454255 /nfs/dbraw/zinc/45/42/55/398454255.db2.gz GSOPJONYMXSMGN-JTQLQIEISA-N 1 1 300.305 2.731 20 5 DFBDMO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCOC1 ZINC000586760790 398454259 /nfs/dbraw/zinc/45/42/59/398454259.db2.gz GSOPJONYMXSMGN-JTQLQIEISA-N 1 1 300.305 2.731 20 5 DFBDMO C[C@@H]([N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000027137279 398460742 /nfs/dbraw/zinc/46/07/42/398460742.db2.gz QQTUMDXRZJBFPQ-GFCCVEGCSA-N 1 1 319.405 2.850 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000596625308 398463931 /nfs/dbraw/zinc/46/39/31/398463931.db2.gz BPZZNBQKEROWOS-ZDUSSCGKSA-N 1 1 306.366 2.509 20 5 DFBDMO Cn1cncc1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459501967 299122393 /nfs/dbraw/zinc/12/23/93/299122393.db2.gz FQJBLZCHZSDNBK-HNNXBMFYSA-N 1 1 314.389 2.750 20 5 DFBDMO C[C@@H](CO)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000588204956 398489090 /nfs/dbraw/zinc/48/90/90/398489090.db2.gz QBOUROBLJRDLAL-AWEZNQCLSA-N 1 1 322.405 2.989 20 5 DFBDMO CCCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592828110 398491203 /nfs/dbraw/zinc/49/12/03/398491203.db2.gz CBDQPBUVBQVLGN-HNNXBMFYSA-N 1 1 319.405 2.714 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)C(C)C ZINC000030150148 398497347 /nfs/dbraw/zinc/49/73/47/398497347.db2.gz WGQLIVRTPRJGQZ-GFCCVEGCSA-N 1 1 323.393 2.908 20 5 DFBDMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000596787424 398501215 /nfs/dbraw/zinc/50/12/15/398501215.db2.gz HWPWMJBRQVUZHP-CYBMUJFWSA-N 1 1 320.393 2.817 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)c(F)c1 ZINC000305751591 398506506 /nfs/dbraw/zinc/50/65/06/398506506.db2.gz ZPBSGOSWPGGNCL-KRWDZBQOSA-N 1 1 316.332 2.658 20 5 DFBDMO Cc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596821484 398507645 /nfs/dbraw/zinc/50/76/45/398507645.db2.gz WKMAHXLYHDJSCV-ZDUSSCGKSA-N 1 1 320.393 2.898 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000596822980 398507962 /nfs/dbraw/zinc/50/79/62/398507962.db2.gz JMXDYEYYXYWZCH-ZDUSSCGKSA-N 1 1 306.366 2.509 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000588822840 398509401 /nfs/dbraw/zinc/50/94/01/398509401.db2.gz GWQHYDPGYQMRHI-KBPBESRZSA-N 1 1 321.425 2.573 20 5 DFBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000596839585 398510973 /nfs/dbraw/zinc/51/09/73/398510973.db2.gz SYCITFSVKHACAX-CYBMUJFWSA-N 1 1 320.393 2.770 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000588822845 398509831 /nfs/dbraw/zinc/50/98/31/398509831.db2.gz GWQHYDPGYQMRHI-ZIAGYGMSSA-N 1 1 321.425 2.573 20 5 DFBDMO Cc1ccc(C[N@H+](CCO)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000181971966 199370214 /nfs/dbraw/zinc/37/02/14/199370214.db2.gz GHACNPSWPHVNBB-UHFFFAOYSA-N 1 1 300.358 2.898 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000181971966 199370216 /nfs/dbraw/zinc/37/02/16/199370216.db2.gz GHACNPSWPHVNBB-UHFFFAOYSA-N 1 1 300.358 2.898 20 5 DFBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CC[N@@H+](C)C1 ZINC000596839586 398511212 /nfs/dbraw/zinc/51/12/12/398511212.db2.gz SYCITFSVKHACAX-ZDUSSCGKSA-N 1 1 320.393 2.770 20 5 DFBDMO O=C(C[N@@H+]1CCC12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593038971 398528367 /nfs/dbraw/zinc/52/83/67/398528367.db2.gz OTXLMMZLHATWEM-UHFFFAOYSA-N 1 1 315.373 2.502 20 5 DFBDMO O=C(C[N@H+]1CCC12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593038971 398528372 /nfs/dbraw/zinc/52/83/72/398528372.db2.gz OTXLMMZLHATWEM-UHFFFAOYSA-N 1 1 315.373 2.502 20 5 DFBDMO O=[N+]([O-])c1cncc(Cl)c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000589109479 398527454 /nfs/dbraw/zinc/52/74/54/398527454.db2.gz QVHHDNHBRPTHJY-UHFFFAOYSA-N 1 1 307.741 2.750 20 5 DFBDMO CCOc1cc(C[N@@H+](CC)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000593068600 398537913 /nfs/dbraw/zinc/53/79/13/398537913.db2.gz DJMQWCFCKAYNIU-CQSZACIVSA-N 1 1 308.378 2.994 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](C3CC3)C1)OCCO2 ZINC000589209821 398538294 /nfs/dbraw/zinc/53/82/94/398538294.db2.gz URRJHZGHZMJXKW-CYBMUJFWSA-N 1 1 318.373 2.988 20 5 DFBDMO CCc1nn(C)c(NC[C@H]2CCCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000091670629 398540279 /nfs/dbraw/zinc/54/02/79/398540279.db2.gz BEVQPDMNLPARLO-CYBMUJFWSA-N 1 1 323.441 2.813 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000589371605 398549112 /nfs/dbraw/zinc/54/91/12/398549112.db2.gz PAIQOUCKTJOGCY-NHYWBVRUSA-N 1 1 320.393 2.619 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC2(C1)CCOCC2 ZINC000459617837 299148913 /nfs/dbraw/zinc/14/89/13/299148913.db2.gz JPVYNBZCYUCNBL-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO C[C@@H]1C[C@H]1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272581779 210000201 /nfs/dbraw/zinc/00/02/01/210000201.db2.gz YGVCQKIBEWLRKR-OSAQELSMSA-N 1 1 300.362 2.663 20 5 DFBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593128290 398553618 /nfs/dbraw/zinc/55/36/18/398553618.db2.gz DSWLADOBIFULMF-BYCMXARLSA-N 1 1 318.373 2.787 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC(C)=C[C@H](C)C2)c1 ZINC000589515507 398558696 /nfs/dbraw/zinc/55/86/96/398558696.db2.gz AIMQYVYBUBFGSX-NSHDSACASA-N 1 1 304.346 2.779 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)=C[C@H](C)C2)c1 ZINC000589515507 398558702 /nfs/dbraw/zinc/55/87/02/398558702.db2.gz AIMQYVYBUBFGSX-NSHDSACASA-N 1 1 304.346 2.779 20 5 DFBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000039563974 398560281 /nfs/dbraw/zinc/56/02/81/398560281.db2.gz MGDBAPOPOUZHBV-UHFFFAOYSA-N 1 1 319.405 2.787 20 5 DFBDMO CCOC(=O)c1cc(NCC[N@@H+](C)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000589571810 398560831 /nfs/dbraw/zinc/56/08/31/398560831.db2.gz ZQSSAUNKIGLTBX-GFCCVEGCSA-N 1 1 323.393 2.914 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000593190057 398568533 /nfs/dbraw/zinc/56/85/33/398568533.db2.gz DELACAKELCXCPP-MCIONIFRSA-N 1 1 319.405 2.765 20 5 DFBDMO CCCn1nccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000597129596 398571913 /nfs/dbraw/zinc/57/19/13/398571913.db2.gz ONHHVVWZHYIWDE-UHFFFAOYSA-N 1 1 302.378 2.876 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@H]3CCCC[C@@H]31)OCCO2 ZINC000597159731 398579499 /nfs/dbraw/zinc/57/94/99/398579499.db2.gz RGCGRLPQJNHMQM-AAEUAGOBSA-N 1 1 304.346 2.740 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@@H]3CCCC[C@@H]31)OCCO2 ZINC000597159731 398579501 /nfs/dbraw/zinc/57/95/01/398579501.db2.gz RGCGRLPQJNHMQM-AAEUAGOBSA-N 1 1 304.346 2.740 20 5 DFBDMO C[C@H](C1CC1)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000042123598 398583810 /nfs/dbraw/zinc/58/38/10/398583810.db2.gz JTNLVAGQIDHNIT-GFCCVEGCSA-N 1 1 317.389 2.821 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C2CC2)CC1 ZINC000590008114 398589110 /nfs/dbraw/zinc/58/91/10/398589110.db2.gz FAGIXUDEICPKHE-UHFFFAOYSA-N 1 1 317.389 2.964 20 5 DFBDMO CCOc1cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092654317 398590293 /nfs/dbraw/zinc/59/02/93/398590293.db2.gz VXSSJSFEXNXEBZ-GXTWGEPZSA-N 1 1 305.378 2.666 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000597212347 398591850 /nfs/dbraw/zinc/59/18/50/398591850.db2.gz UQFARIJYQFMMLE-PNWPSHNFSA-N 1 1 302.374 2.966 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000072606197 398625363 /nfs/dbraw/zinc/62/53/63/398625363.db2.gz CYIMPIDSHOOYED-OAHLLOKOSA-N 1 1 303.362 2.716 20 5 DFBDMO C[C@H](c1cccnc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000093234890 398625647 /nfs/dbraw/zinc/62/56/47/398625647.db2.gz UWAXVCRXDDTJIM-WBMJQRKESA-N 1 1 301.346 2.716 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171449588 186161770 /nfs/dbraw/zinc/16/17/70/186161770.db2.gz DYGUYZFZTIGKRN-WFASDCNBSA-N 1 1 305.378 2.646 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1C ZINC000177899077 186200883 /nfs/dbraw/zinc/20/08/83/186200883.db2.gz ZHADCANHUDXMSR-GHMZBOCLSA-N 1 1 302.334 2.875 20 5 DFBDMO CC(C)C[N@@H+](C)CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000593480505 398641997 /nfs/dbraw/zinc/64/19/97/398641997.db2.gz QMQMOMOUAKTNQS-UHFFFAOYSA-N 1 1 311.411 2.694 20 5 DFBDMO CC[N@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000590695606 398653919 /nfs/dbraw/zinc/65/39/19/398653919.db2.gz KBGGJHJYRWAIEQ-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC(C)(C)C1 ZINC000459736526 299177179 /nfs/dbraw/zinc/17/71/79/299177179.db2.gz GKKQNVAWYUVPIF-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000171955393 198014935 /nfs/dbraw/zinc/01/49/35/198014935.db2.gz POXIESPXNKUGRX-GFCCVEGCSA-N 1 1 323.393 2.940 20 5 DFBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171956530 198015057 /nfs/dbraw/zinc/01/50/57/198015057.db2.gz AQFJYKRTGLLXLR-GFCCVEGCSA-N 1 1 323.393 2.940 20 5 DFBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171956530 198015058 /nfs/dbraw/zinc/01/50/58/198015058.db2.gz AQFJYKRTGLLXLR-GFCCVEGCSA-N 1 1 323.393 2.940 20 5 DFBDMO Cc1ccc(NCCCNC(=O)c2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000172401291 198091335 /nfs/dbraw/zinc/09/13/35/198091335.db2.gz CKTPZDBPLQCGHH-UHFFFAOYSA-N 1 1 314.345 2.530 20 5 DFBDMO Cc1ccc(NCCCNC(=O)c2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000172400314 198091856 /nfs/dbraw/zinc/09/18/56/198091856.db2.gz MNFKBPFSTIHXTN-UHFFFAOYSA-N 1 1 314.345 2.530 20 5 DFBDMO COc1nccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000590778863 398672856 /nfs/dbraw/zinc/67/28/56/398672856.db2.gz VOHSTFXTVYKIAC-LLVKDONJSA-N 1 1 302.334 2.553 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172964487 198171088 /nfs/dbraw/zinc/17/10/88/198171088.db2.gz GANIGHAXKYUCOI-AWEZNQCLSA-N 1 1 319.405 2.518 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000072897390 191249311 /nfs/dbraw/zinc/24/93/11/191249311.db2.gz VOXSOTMOHIHWCS-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000072897390 191249313 /nfs/dbraw/zinc/24/93/13/191249313.db2.gz VOXSOTMOHIHWCS-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000173188675 198193771 /nfs/dbraw/zinc/19/37/71/198193771.db2.gz OPNKDVFOFNHWCW-SMDDNHRTSA-N 1 1 306.366 2.541 20 5 DFBDMO CCOC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000072976743 191261763 /nfs/dbraw/zinc/26/17/63/191261763.db2.gz QNMUCSNSGVDYIW-CQSZACIVSA-N 1 1 308.378 2.722 20 5 DFBDMO C[C@@H](C(=O)NCC[N@H+]1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000590889218 398696660 /nfs/dbraw/zinc/69/66/60/398696660.db2.gz MXPFNHPOOIWQPD-CYBMUJFWSA-N 1 1 319.405 2.689 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174178510 198301845 /nfs/dbraw/zinc/30/18/45/198301845.db2.gz ONVSRVIURCBKAV-CQSZACIVSA-N 1 1 320.393 2.933 20 5 DFBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000277123005 213307523 /nfs/dbraw/zinc/30/75/23/213307523.db2.gz OMFBQUWUJZUAQL-AWEZNQCLSA-N 1 1 320.437 2.589 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597857599 398705312 /nfs/dbraw/zinc/70/53/12/398705312.db2.gz GIENHMFJFWHLKH-ZDUSSCGKSA-N 1 1 305.378 2.506 20 5 DFBDMO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000174572707 198354167 /nfs/dbraw/zinc/35/41/67/198354167.db2.gz ZOZBVXKHBZCTOD-UHFFFAOYSA-N 1 1 317.389 2.685 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000174675097 198368162 /nfs/dbraw/zinc/36/81/62/198368162.db2.gz JEJVSRVMXGXAIK-UHFFFAOYSA-N 1 1 313.785 2.710 20 5 DFBDMO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000046479121 398708461 /nfs/dbraw/zinc/70/84/61/398708461.db2.gz LRWXKGYVVQHYOJ-LLVKDONJSA-N 1 1 318.402 2.910 20 5 DFBDMO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000046479121 398708465 /nfs/dbraw/zinc/70/84/65/398708465.db2.gz LRWXKGYVVQHYOJ-LLVKDONJSA-N 1 1 318.402 2.910 20 5 DFBDMO C[N@H+](Cc1cccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046701907 398715810 /nfs/dbraw/zinc/71/58/10/398715810.db2.gz KKNVXYPKAGGVDY-CYBMUJFWSA-N 1 1 322.386 2.528 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000046992023 398729964 /nfs/dbraw/zinc/72/99/64/398729964.db2.gz AYLRKCIASUFZQR-CQSZACIVSA-N 1 1 319.405 2.837 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591149549 398732429 /nfs/dbraw/zinc/73/24/29/398732429.db2.gz GJXLGSHBLPBEGR-IAQYHMDHSA-N 1 1 300.362 2.895 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591149541 398732661 /nfs/dbraw/zinc/73/26/61/398732661.db2.gz FTQCOMYEHZHZRF-GZMMTYOYSA-N 1 1 318.299 2.761 20 5 DFBDMO CCOc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276977818 213214861 /nfs/dbraw/zinc/21/48/61/213214861.db2.gz XVNDCNUBAHWHNL-ZFWWWQNUSA-N 1 1 319.405 2.662 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000594066306 398736292 /nfs/dbraw/zinc/73/62/92/398736292.db2.gz VJNNQZQJVUUCHI-LBPRGKRZSA-N 1 1 308.378 2.727 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282810 398745586 /nfs/dbraw/zinc/74/55/86/398745586.db2.gz SPCBJXVMDVNRPB-BYPUDFOVSA-N 1 1 301.390 2.872 20 5 DFBDMO Cc1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000594203899 398765699 /nfs/dbraw/zinc/76/56/99/398765699.db2.gz VIWAJNDHEAQGRD-JKSUJKDBSA-N 1 1 317.389 2.650 20 5 DFBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000081290822 192245373 /nfs/dbraw/zinc/24/53/73/192245373.db2.gz RFEVWJJIWQCTRF-ZDUSSCGKSA-N 1 1 323.418 2.651 20 5 DFBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000081290417 192245645 /nfs/dbraw/zinc/24/56/45/192245645.db2.gz YHMBAGWWHVKKTA-CQSZACIVSA-N 1 1 317.389 2.589 20 5 DFBDMO CCOC[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081521006 192280924 /nfs/dbraw/zinc/28/09/24/192280924.db2.gz JVLYHISWLUEYRD-AWEZNQCLSA-N 1 1 308.378 2.722 20 5 DFBDMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135233964 283211954 /nfs/dbraw/zinc/21/19/54/283211954.db2.gz COVDWTZDLKPKBK-OAHLLOKOSA-N 1 1 322.405 2.735 20 5 DFBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000598342491 398796011 /nfs/dbraw/zinc/79/60/11/398796011.db2.gz NVDJHGUXLVBGNX-CQSZACIVSA-N 1 1 319.405 2.734 20 5 DFBDMO CCOc1cc(C[N@@H+](C)CC2(O)CCCC2)ccc1[N+](=O)[O-] ZINC000276914610 213172541 /nfs/dbraw/zinc/17/25/41/213172541.db2.gz OBDPNCBQIVEAAH-UHFFFAOYSA-N 1 1 308.378 2.730 20 5 DFBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000075703514 398818245 /nfs/dbraw/zinc/81/82/45/398818245.db2.gz FIJXJRZJQWGBAR-GFCCVEGCSA-N 1 1 305.378 2.604 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594596986 398827337 /nfs/dbraw/zinc/82/73/37/398827337.db2.gz BTIWZXZDVJEGSR-OLZOCXBDSA-N 1 1 307.398 2.548 20 5 DFBDMO CC(C)[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nncn1C ZINC000594607775 398830556 /nfs/dbraw/zinc/83/05/56/398830556.db2.gz ZKUCIKPODBTDCC-HIFRSBDPSA-N 1 1 315.377 2.698 20 5 DFBDMO CCOc1ccc([C@@H](C)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000152649657 283333240 /nfs/dbraw/zinc/33/32/40/283333240.db2.gz GZKGHHLXPJIVTE-GFCCVEGCSA-N 1 1 307.394 2.738 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](C(F)F)C2CCCCC2)c1 ZINC000598647988 398847888 /nfs/dbraw/zinc/84/78/88/398847888.db2.gz DHDVPJFOYKSXKK-GFCCVEGCSA-N 1 1 302.325 2.595 20 5 DFBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000076693963 398865539 /nfs/dbraw/zinc/86/55/39/398865539.db2.gz KGMVTALKZLYPJU-GFCCVEGCSA-N 1 1 323.780 2.559 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134774275 398868100 /nfs/dbraw/zinc/86/81/00/398868100.db2.gz GPEANHGSBDHYGG-JTQLQIEISA-N 1 1 313.785 2.708 20 5 DFBDMO Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000180587655 199180704 /nfs/dbraw/zinc/18/07/04/199180704.db2.gz NWJIOUJXZUWNHB-HNNXBMFYSA-N 1 1 320.393 2.707 20 5 DFBDMO CCC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000053377311 398870849 /nfs/dbraw/zinc/87/08/49/398870849.db2.gz IABFVFMOVPKRCM-UHFFFAOYSA-N 1 1 317.389 2.606 20 5 DFBDMO CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000053376393 398870538 /nfs/dbraw/zinc/87/05/38/398870538.db2.gz DHLQXHCZMQPJFK-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000053583416 398878548 /nfs/dbraw/zinc/87/85/48/398878548.db2.gz CBKOZPXYVLEZGZ-LLVKDONJSA-N 1 1 308.338 2.647 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004658 398890063 /nfs/dbraw/zinc/89/00/63/398890063.db2.gz QXAAWBFYBCSFHC-JSGCOSHPSA-N 1 1 307.394 2.738 20 5 DFBDMO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004658 398890064 /nfs/dbraw/zinc/89/00/64/398890064.db2.gz QXAAWBFYBCSFHC-JSGCOSHPSA-N 1 1 307.394 2.738 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000468739895 299281589 /nfs/dbraw/zinc/28/15/89/299281589.db2.gz SLNDKNNAEMSKDL-CUXKMMBLSA-N 1 1 312.373 2.868 20 5 DFBDMO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008195 398890759 /nfs/dbraw/zinc/89/07/59/398890759.db2.gz BUTWJPOBSRHMLF-CHWSQXEVSA-N 1 1 307.394 2.596 20 5 DFBDMO CN(CCOc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC[N@H+]1C ZINC000173959650 283391908 /nfs/dbraw/zinc/39/19/08/283391908.db2.gz LWLQJVIZTOGKTQ-HNNXBMFYSA-N 1 1 321.421 2.780 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000595016031 398892738 /nfs/dbraw/zinc/89/27/38/398892738.db2.gz GJOPCVDYHNBTKJ-JSGCOSHPSA-N 1 1 319.405 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000595016031 398892743 /nfs/dbraw/zinc/89/27/43/398892743.db2.gz GJOPCVDYHNBTKJ-JSGCOSHPSA-N 1 1 319.405 2.738 20 5 DFBDMO CCOc1cc(N(C)C[C@@H]2CCC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000174917842 283395102 /nfs/dbraw/zinc/39/51/02/283395102.db2.gz FENAYYMHKSXXFC-AWEZNQCLSA-N 1 1 307.394 2.914 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000595023903 398893950 /nfs/dbraw/zinc/89/39/50/398893950.db2.gz ZIWBHEGTHITVFP-PWSUYJOCSA-N 1 1 318.377 2.917 20 5 DFBDMO CC[N@@H+]1C[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000595030738 398894976 /nfs/dbraw/zinc/89/49/76/398894976.db2.gz VDQWNEGAPKINIA-ZOWXZIJZSA-N 1 1 307.394 2.594 20 5 DFBDMO CCN1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000595030738 398894978 /nfs/dbraw/zinc/89/49/78/398894978.db2.gz VDQWNEGAPKINIA-ZOWXZIJZSA-N 1 1 307.394 2.594 20 5 DFBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000054287035 398895009 /nfs/dbraw/zinc/89/50/09/398895009.db2.gz HQNQZNVYZWMQME-CYBMUJFWSA-N 1 1 319.405 2.835 20 5 DFBDMO C[N@H+]1CCCC[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598994337 398905169 /nfs/dbraw/zinc/90/51/69/398905169.db2.gz KGUZIADPTRDGLP-WUKHSURWSA-N 1 1 303.406 2.930 20 5 DFBDMO C[N@@H+]1CCCC[C@H](CNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598994337 398905173 /nfs/dbraw/zinc/90/51/73/398905173.db2.gz KGUZIADPTRDGLP-WUKHSURWSA-N 1 1 303.406 2.930 20 5 DFBDMO C[N@H+]1CCCC[C@H](CNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598994337 398905176 /nfs/dbraw/zinc/90/51/76/398905176.db2.gz KGUZIADPTRDGLP-WUKHSURWSA-N 1 1 303.406 2.930 20 5 DFBDMO C[N@H+]1CCCC[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598994334 398904910 /nfs/dbraw/zinc/90/49/10/398904910.db2.gz KGUZIADPTRDGLP-AJHXJQRKSA-N 1 1 303.406 2.930 20 5 DFBDMO C[N@@H+]1CCCC[C@@H](CNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598994334 398904913 /nfs/dbraw/zinc/90/49/13/398904913.db2.gz KGUZIADPTRDGLP-AJHXJQRKSA-N 1 1 303.406 2.930 20 5 DFBDMO C[N@H+]1CCCC[C@@H](CNC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598994334 398904916 /nfs/dbraw/zinc/90/49/16/398904916.db2.gz KGUZIADPTRDGLP-AJHXJQRKSA-N 1 1 303.406 2.930 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000470208250 299293484 /nfs/dbraw/zinc/29/34/84/299293484.db2.gz YMAOTXBPPLIWER-JDOILIPESA-N 1 1 317.389 2.584 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000470208250 299293492 /nfs/dbraw/zinc/29/34/92/299293492.db2.gz YMAOTXBPPLIWER-JDOILIPESA-N 1 1 317.389 2.584 20 5 DFBDMO O=[N+]([O-])c1c(N[C@H]2CCc3[nH+]ccn3C2)ccc2cnccc21 ZINC000599026453 398909936 /nfs/dbraw/zinc/90/99/36/398909936.db2.gz AUOYOGHFAYMCPD-LBPRGKRZSA-N 1 1 309.329 2.766 20 5 DFBDMO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072047 398916981 /nfs/dbraw/zinc/91/69/81/398916981.db2.gz XAVNHBAFGGSLOE-XJKSGUPXSA-N 1 1 303.406 2.904 20 5 DFBDMO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072047 398916983 /nfs/dbraw/zinc/91/69/83/398916983.db2.gz XAVNHBAFGGSLOE-XJKSGUPXSA-N 1 1 303.406 2.904 20 5 DFBDMO COC(=O)CC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595295352 398917676 /nfs/dbraw/zinc/91/76/76/398917676.db2.gz JNOJLDGDPMZAMU-UHFFFAOYSA-N 1 1 310.325 2.509 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000077656649 398916357 /nfs/dbraw/zinc/91/63/57/398916357.db2.gz SGJJTFZLDRZJFU-NSHDSACASA-N 1 1 308.338 2.789 20 5 DFBDMO O=[N+]([O-])c1c(N[C@H]2CCc3c[nH+]cn3C2)ccc2cnccc21 ZINC000599083547 398918592 /nfs/dbraw/zinc/91/85/92/398918592.db2.gz ZILTVUVAZFAPTR-LBPRGKRZSA-N 1 1 309.329 2.766 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000599087215 398919254 /nfs/dbraw/zinc/91/92/54/398919254.db2.gz FUIAKJIDDQHCOR-JTQLQIEISA-N 1 1 303.318 2.555 20 5 DFBDMO COc1ccccc1CC[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595301571 398919499 /nfs/dbraw/zinc/91/94/99/398919499.db2.gz GITDAMUXNQWGKR-UHFFFAOYSA-N 1 1 305.334 2.574 20 5 DFBDMO COc1ccccc1CC[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595301571 398919500 /nfs/dbraw/zinc/91/95/00/398919500.db2.gz GITDAMUXNQWGKR-UHFFFAOYSA-N 1 1 305.334 2.574 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000595305541 398920448 /nfs/dbraw/zinc/92/04/48/398920448.db2.gz GWGGUKVEYBZNOQ-UHFFFAOYSA-N 1 1 318.352 2.843 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312271 398921189 /nfs/dbraw/zinc/92/11/89/398921189.db2.gz SEKPEEXAWOXKGS-HUUCEWRRSA-N 1 1 307.369 2.793 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)nc1 ZINC000595376733 398929082 /nfs/dbraw/zinc/92/90/82/398929082.db2.gz SSYYWRUQBWHXFW-LXTVHRRPSA-N 1 1 316.405 2.912 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000595377227 398929397 /nfs/dbraw/zinc/92/93/97/398929397.db2.gz NAZBNBWILCNVRX-GFCCVEGCSA-N 1 1 304.325 2.837 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000189251809 200370597 /nfs/dbraw/zinc/37/05/97/200370597.db2.gz KIGNDUYFVWZUBJ-BONVTDFDSA-N 1 1 312.341 2.599 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000189251809 200370598 /nfs/dbraw/zinc/37/05/98/200370598.db2.gz KIGNDUYFVWZUBJ-BONVTDFDSA-N 1 1 312.341 2.599 20 5 DFBDMO Cc1noc(C[NH+]2CCC(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595395111 398932193 /nfs/dbraw/zinc/93/21/93/398932193.db2.gz HVNZIMCMMCKTTR-UHFFFAOYSA-N 1 1 309.366 2.530 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000595409702 398933348 /nfs/dbraw/zinc/93/33/48/398933348.db2.gz FYJUCQBRPKSTJX-OAHLLOKOSA-N 1 1 304.321 2.947 20 5 DFBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000471809811 299307291 /nfs/dbraw/zinc/30/72/91/299307291.db2.gz JETAYWNYHOOXRS-FZMZJTMJSA-N 1 1 302.330 2.810 20 5 DFBDMO CCOc1ccc([C@H](C)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000417352828 296013186 /nfs/dbraw/zinc/01/31/86/296013186.db2.gz HERMPEYHLNSDOL-LBPRGKRZSA-N 1 1 307.394 2.738 20 5 DFBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595428565 398936631 /nfs/dbraw/zinc/93/66/31/398936631.db2.gz YWJXYEHGEJWBNR-UHFFFAOYSA-N 1 1 323.368 2.613 20 5 DFBDMO CSCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000281261131 216192617 /nfs/dbraw/zinc/19/26/17/216192617.db2.gz FFJSCOHVWYQNSE-LLVKDONJSA-N 1 1 311.407 2.607 20 5 DFBDMO Cc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC000595477129 398946253 /nfs/dbraw/zinc/94/62/53/398946253.db2.gz QMUJGBOMFQXAPL-UHFFFAOYSA-N 1 1 300.362 2.676 20 5 DFBDMO COc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)sn1 ZINC000595477871 398946265 /nfs/dbraw/zinc/94/62/65/398946265.db2.gz VVEAKQODVZIHBU-UHFFFAOYSA-N 1 1 307.375 2.734 20 5 DFBDMO COc1cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505193 398951814 /nfs/dbraw/zinc/95/18/14/398951814.db2.gz QNQWXHBJXGDPIB-KRWDZBQOSA-N 1 1 319.405 2.521 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000595508993 398954349 /nfs/dbraw/zinc/95/43/49/398954349.db2.gz DJUBPHQGAKMVGN-CQSZACIVSA-N 1 1 308.353 2.982 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000595508993 398954351 /nfs/dbraw/zinc/95/43/51/398954351.db2.gz DJUBPHQGAKMVGN-CQSZACIVSA-N 1 1 308.353 2.982 20 5 DFBDMO Cc1ncc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000600124474 398958365 /nfs/dbraw/zinc/95/83/65/398958365.db2.gz MLBWGRFWZQOQIE-UHFFFAOYSA-N 1 1 317.345 2.935 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565326 398974632 /nfs/dbraw/zinc/97/46/32/398974632.db2.gz GCLDIWMFNHZASN-WFASDCNBSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565326 398974638 /nfs/dbraw/zinc/97/46/38/398974638.db2.gz GCLDIWMFNHZASN-WFASDCNBSA-N 1 1 303.362 2.716 20 5 DFBDMO C[N@@H+](CCC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193990018 201157306 /nfs/dbraw/zinc/15/73/06/201157306.db2.gz UDWUMDHBMLIWBH-UHFFFAOYSA-N 1 1 323.349 2.752 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000600177764 398990188 /nfs/dbraw/zinc/99/01/88/398990188.db2.gz DDDZKNPFGLTPRM-CQSZACIVSA-N 1 1 319.405 2.771 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccoc1 ZINC000165857543 398992406 /nfs/dbraw/zinc/99/24/06/398992406.db2.gz KVTGNBRAYQDEMC-UHFFFAOYSA-N 1 1 317.345 2.957 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1(C)COC1 ZINC000600192172 398997177 /nfs/dbraw/zinc/99/71/77/398997177.db2.gz TVEITIOQNKRTAW-UHFFFAOYSA-N 1 1 316.304 2.665 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608346 398997860 /nfs/dbraw/zinc/99/78/60/398997860.db2.gz OAQRDQHBLURVBL-KBPBESRZSA-N 1 1 315.377 2.578 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000275495044 212372842 /nfs/dbraw/zinc/37/28/42/212372842.db2.gz BYXMKILTJTVWIR-HUUCEWRRSA-N 1 1 318.377 2.652 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c(Cl)c1 ZINC000595637467 399013726 /nfs/dbraw/zinc/01/37/26/399013726.db2.gz XERVXNGGKNSTQG-SCDSUCTJSA-N 1 1 310.781 2.841 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275451498 212340805 /nfs/dbraw/zinc/34/08/05/212340805.db2.gz XVSJXRXUVCLIAL-ZDUSSCGKSA-N 1 1 318.421 2.731 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595690145 399036920 /nfs/dbraw/zinc/03/69/20/399036920.db2.gz VRIRXLZQCMYTOS-CALCHBBNSA-N 1 1 320.389 2.852 20 5 DFBDMO Cc1ncccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000092048150 193148034 /nfs/dbraw/zinc/14/80/34/193148034.db2.gz HECDZHGZTPWXDF-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000595695835 399039029 /nfs/dbraw/zinc/03/90/29/399039029.db2.gz ICAVRHKSNWRXDY-DOMZBBRYSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000595695499 399039190 /nfs/dbraw/zinc/03/91/90/399039190.db2.gz HZFDUKHFYLCKTR-IUODEOHRSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000595699836 399042592 /nfs/dbraw/zinc/04/25/92/399042592.db2.gz ONMUCQOOBPVRLF-UKRRQHHQSA-N 1 1 322.405 2.976 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000599662895 399052097 /nfs/dbraw/zinc/05/20/97/399052097.db2.gz XXXFUAXJNUJIGB-XQQFMLRXSA-N 1 1 324.402 2.820 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000599662895 399052099 /nfs/dbraw/zinc/05/20/99/399052099.db2.gz XXXFUAXJNUJIGB-XQQFMLRXSA-N 1 1 324.402 2.820 20 5 DFBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600473167 399058260 /nfs/dbraw/zinc/05/82/60/399058260.db2.gz SLVHCFXYMNHXGA-HNNXBMFYSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600469278 399058105 /nfs/dbraw/zinc/05/81/05/399058105.db2.gz IWKKRHQMLGLVPX-CQSZACIVSA-N 1 1 317.389 2.650 20 5 DFBDMO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000595764605 399074905 /nfs/dbraw/zinc/07/49/05/399074905.db2.gz CRPDWQAGDOZEDW-TVQRCGJNSA-N 1 1 318.295 2.959 20 5 DFBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000595764605 399074910 /nfs/dbraw/zinc/07/49/10/399074910.db2.gz CRPDWQAGDOZEDW-TVQRCGJNSA-N 1 1 318.295 2.959 20 5 DFBDMO Cc1noc(C[NH+]2CCC([C@H]3CCCCO3)CC2)c1[N+](=O)[O-] ZINC000595782120 399083039 /nfs/dbraw/zinc/08/30/39/399083039.db2.gz HKBGAICNJURDCH-CYBMUJFWSA-N 1 1 309.366 2.672 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301544252 284028701 /nfs/dbraw/zinc/02/87/01/284028701.db2.gz OYKDFTVNNPTCJT-NSHDSACASA-N 1 1 311.357 2.521 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595812796 399094194 /nfs/dbraw/zinc/09/41/94/399094194.db2.gz YXGSVCDOPOXERA-CHWSQXEVSA-N 1 1 303.362 2.574 20 5 DFBDMO CO[C@@H](CC(C)C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000419225092 296128803 /nfs/dbraw/zinc/12/88/03/296128803.db2.gz OQIVYBVDJQSBFT-HIFRSBDPSA-N 1 1 322.409 2.537 20 5 DFBDMO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338347953 284103037 /nfs/dbraw/zinc/10/30/37/284103037.db2.gz GABCYSPASUPQSV-GFCCVEGCSA-N 1 1 316.361 2.634 20 5 DFBDMO CO[C@H](CC(C)C)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000419277626 296131258 /nfs/dbraw/zinc/13/12/58/296131258.db2.gz MGJFUSVWMJJKIB-OAHLLOKOSA-N 1 1 308.378 2.850 20 5 DFBDMO CO[C@H](CC(C)C)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000419277626 296131259 /nfs/dbraw/zinc/13/12/59/296131259.db2.gz MGJFUSVWMJJKIB-OAHLLOKOSA-N 1 1 308.378 2.850 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595830190 399102951 /nfs/dbraw/zinc/10/29/51/399102951.db2.gz DLOKRRJMBBRUQG-KBPBESRZSA-N 1 1 317.389 2.600 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419368119 296136791 /nfs/dbraw/zinc/13/67/91/296136791.db2.gz FLICKRMSKKTABR-RWMBFGLXSA-N 1 1 305.378 2.818 20 5 DFBDMO CC(C)NC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595850624 399112036 /nfs/dbraw/zinc/11/20/36/399112036.db2.gz MLEFZTMPJIXHQC-UKRRQHHQSA-N 1 1 319.405 2.892 20 5 DFBDMO C[N@H+](CC1=CCSC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595895163 399126085 /nfs/dbraw/zinc/12/60/85/399126085.db2.gz DGMAGNFOYSQFNP-UHFFFAOYSA-N 1 1 322.386 2.566 20 5 DFBDMO C[N@@H+](CC1=CCSC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595895163 399126094 /nfs/dbraw/zinc/12/60/94/399126094.db2.gz DGMAGNFOYSQFNP-UHFFFAOYSA-N 1 1 322.386 2.566 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000179504473 399129977 /nfs/dbraw/zinc/12/99/77/399129977.db2.gz NZHMLEQFPJQYHA-OAHLLOKOSA-N 1 1 324.384 2.941 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2CC1(C)C2 ZINC000595914608 399133194 /nfs/dbraw/zinc/13/31/94/399133194.db2.gz DWRJDFNWPPVJPC-UHFFFAOYSA-N 1 1 303.362 2.716 20 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ZINC000610930358 399419105 /nfs/dbraw/zinc/41/91/05/399419105.db2.gz ZEQFYMYXKVUWRP-UHFFFAOYSA-N 1 1 306.362 2.988 20 5 DFBDMO COC(=O)COc1ccc(C[N@@H+](C)CCC(C)C)cc1[N+](=O)[O-] ZINC000616129713 399424386 /nfs/dbraw/zinc/42/43/86/399424386.db2.gz YGDZUOOLXMIKTC-UHFFFAOYSA-N 1 1 324.377 2.625 20 5 DFBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[N@H+](C2CC2)CC1 ZINC000061605206 184177353 /nfs/dbraw/zinc/17/73/53/184177353.db2.gz JGNQIMPHOWLIJU-UHFFFAOYSA-N 1 1 323.780 2.559 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180564 399442939 /nfs/dbraw/zinc/44/29/39/399442939.db2.gz ZMNIUHQMJUBJLA-VHSXEESVSA-N 1 1 313.304 2.509 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180564 399442943 /nfs/dbraw/zinc/44/29/43/399442943.db2.gz ZMNIUHQMJUBJLA-VHSXEESVSA-N 1 1 313.304 2.509 20 5 DFBDMO O=C(CC[N@H+]1CC[C@@H](C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611180027 399442992 /nfs/dbraw/zinc/44/29/92/399442992.db2.gz PZBVKBDIBDVMBN-SNVBAGLBSA-N 1 1 313.304 2.510 20 5 DFBDMO COCC1([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000611178536 399442154 /nfs/dbraw/zinc/44/21/54/399442154.db2.gz JLAKSDBBLKWVGE-UHFFFAOYSA-N 1 1 317.345 2.861 20 5 DFBDMO COCC1([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000611178536 399442156 /nfs/dbraw/zinc/44/21/56/399442156.db2.gz JLAKSDBBLKWVGE-UHFFFAOYSA-N 1 1 317.345 2.861 20 5 DFBDMO Cc1ccccc1[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602465617 399451562 /nfs/dbraw/zinc/45/15/62/399451562.db2.gz SQVBKFOUZLGCHF-ZDUSSCGKSA-N 1 1 300.362 2.626 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000602472938 399454345 /nfs/dbraw/zinc/45/43/45/399454345.db2.gz SGXGOXAWKAMSKE-JTQLQIEISA-N 1 1 318.295 2.818 20 5 DFBDMO CCCC[N@@H+](CCOC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271334 399454663 /nfs/dbraw/zinc/45/46/63/399454663.db2.gz RZFPIKGUHLBFDT-UHFFFAOYSA-N 1 1 324.377 2.615 20 5 DFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272289 399455706 /nfs/dbraw/zinc/45/57/06/399455706.db2.gz HCNSKZZIEJGCRG-DGCLKSJQSA-N 1 1 306.362 2.986 20 5 DFBDMO Cn1cc(C[NH+]2CCC(c3ccccc3F)CC2)c([N+](=O)[O-])n1 ZINC000602476871 399456292 /nfs/dbraw/zinc/45/62/92/399456292.db2.gz GSZJFYVBKLSJAA-UHFFFAOYSA-N 1 1 318.352 2.847 20 5 DFBDMO CC[N@H+](CCCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602478435 399457544 /nfs/dbraw/zinc/45/75/44/399457544.db2.gz YDVHZBJNOQUNCE-UHFFFAOYSA-N 1 1 323.212 2.623 20 5 DFBDMO CC[N@@H+](CCCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602478435 399457548 /nfs/dbraw/zinc/45/75/48/399457548.db2.gz YDVHZBJNOQUNCE-UHFFFAOYSA-N 1 1 323.212 2.623 20 5 DFBDMO CC(C)[N@H+](CC(=O)NC1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350504 184295160 /nfs/dbraw/zinc/29/51/60/184295160.db2.gz TVOTWRXZVXAFOH-UHFFFAOYSA-N 1 1 319.405 2.864 20 5 DFBDMO CC(C)[N@@H+](CC(=O)NC1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350504 184295161 /nfs/dbraw/zinc/29/51/61/184295161.db2.gz TVOTWRXZVXAFOH-UHFFFAOYSA-N 1 1 319.405 2.864 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602524124 399467735 /nfs/dbraw/zinc/46/77/35/399467735.db2.gz BLKWGEFGJNHDDH-LBPRGKRZSA-N 1 1 318.377 2.558 20 5 DFBDMO CC(C)CCOCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602524217 399467875 /nfs/dbraw/zinc/46/78/75/399467875.db2.gz LKNLUGJAUGWJON-UHFFFAOYSA-N 1 1 307.350 2.888 20 5 DFBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611462797 399478673 /nfs/dbraw/zinc/47/86/73/399478673.db2.gz ZXCNTEUCSOEZIZ-MRXNPFEDSA-N 1 1 319.361 2.863 20 5 DFBDMO CCOC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000611479712 399480202 /nfs/dbraw/zinc/48/02/02/399480202.db2.gz KIANDLRVARYXJA-UHFFFAOYSA-N 1 1 304.302 2.654 20 5 DFBDMO COCC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602571677 399479680 /nfs/dbraw/zinc/47/96/80/399479680.db2.gz BPBSOXIQNWEJBP-UHFFFAOYSA-N 1 1 321.196 2.687 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000611515536 399485950 /nfs/dbraw/zinc/48/59/50/399485950.db2.gz CWQVYUOGDKTJFA-CQSZACIVSA-N 1 1 316.361 2.637 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000611521666 399487074 /nfs/dbraw/zinc/48/70/74/399487074.db2.gz WUGCVZDNJVIHEU-MAJSYBNXSA-N 1 1 301.390 2.634 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602641419 399499884 /nfs/dbraw/zinc/49/98/84/399499884.db2.gz AYCOKPOKJGWVDZ-MRXNPFEDSA-N 1 1 318.352 2.631 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602652009 399502904 /nfs/dbraw/zinc/50/29/04/399502904.db2.gz CIFBTWXCVGLPQP-ZDUSSCGKSA-N 1 1 318.377 2.700 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@H]1CCO ZINC000347365777 285017557 /nfs/dbraw/zinc/01/75/57/285017557.db2.gz UMTMNHOHQBPVIW-RCBBPTIPSA-N 1 1 322.430 2.798 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000119686940 195016827 /nfs/dbraw/zinc/01/68/27/195016827.db2.gz UJLDEBWYDUBKGN-CQSZACIVSA-N 1 1 319.405 2.611 20 5 DFBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCSC1 ZINC000119860459 195050768 /nfs/dbraw/zinc/05/07/68/195050768.db2.gz ZOYJMJHKFPPQOB-LBPRGKRZSA-N 1 1 320.374 2.582 20 5 DFBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCSC1 ZINC000119860459 195050770 /nfs/dbraw/zinc/05/07/70/195050770.db2.gz ZOYJMJHKFPPQOB-LBPRGKRZSA-N 1 1 320.374 2.582 20 5 DFBDMO CCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](C)C1 ZINC000602699571 399527023 /nfs/dbraw/zinc/52/70/23/399527023.db2.gz IQBYNMHHZGYMEH-CYBMUJFWSA-N 1 1 318.377 2.652 20 5 DFBDMO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCN(C)C1 ZINC000602699571 399527030 /nfs/dbraw/zinc/52/70/30/399527030.db2.gz IQBYNMHHZGYMEH-CYBMUJFWSA-N 1 1 318.377 2.652 20 5 DFBDMO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCN(C)C1 ZINC000602699571 399527033 /nfs/dbraw/zinc/52/70/33/399527033.db2.gz IQBYNMHHZGYMEH-CYBMUJFWSA-N 1 1 318.377 2.652 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602708111 399531176 /nfs/dbraw/zinc/53/11/76/399531176.db2.gz ZGYGVHDJMVDZFJ-LBPRGKRZSA-N 1 1 318.377 2.698 20 5 DFBDMO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602708111 399531177 /nfs/dbraw/zinc/53/11/77/399531177.db2.gz ZGYGVHDJMVDZFJ-LBPRGKRZSA-N 1 1 318.377 2.698 20 5 DFBDMO CC(=O)NCC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000347628123 285101050 /nfs/dbraw/zinc/10/10/50/285101050.db2.gz HQGWYBPWWOTOAT-HIFRSBDPSA-N 1 1 319.405 2.894 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000270320698 208391281 /nfs/dbraw/zinc/39/12/81/208391281.db2.gz KEOWZFDBGDNPPX-ZDUSSCGKSA-N 1 1 303.362 2.882 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000270320698 208391287 /nfs/dbraw/zinc/39/12/87/208391287.db2.gz KEOWZFDBGDNPPX-ZDUSSCGKSA-N 1 1 303.362 2.882 20 5 DFBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000602730128 399544423 /nfs/dbraw/zinc/54/44/23/399544423.db2.gz XYPZUYLBDUTIFD-LRDDRELGSA-N 1 1 306.362 2.534 20 5 DFBDMO COCCOC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266577065 285102188 /nfs/dbraw/zinc/10/21/88/285102188.db2.gz GHUVNLLVTANVSS-UONOGXRCSA-N 1 1 308.378 2.641 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000293648622 285112081 /nfs/dbraw/zinc/11/20/81/285112081.db2.gz MWBFYYZLBOOSDW-INIZCTEOSA-N 1 1 302.374 2.986 20 5 DFBDMO C[C@@H]([NH3+])C[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088479 296376607 /nfs/dbraw/zinc/37/66/07/296376607.db2.gz QGNPINZFCXGDQU-RKDXNWHRSA-N 1 1 305.300 2.829 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000612006748 399557355 /nfs/dbraw/zinc/55/73/55/399557355.db2.gz VNXXIPFYIZXKLI-GFCCVEGCSA-N 1 1 323.418 2.587 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000612006748 399557358 /nfs/dbraw/zinc/55/73/58/399557358.db2.gz VNXXIPFYIZXKLI-GFCCVEGCSA-N 1 1 323.418 2.587 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286464157 219003218 /nfs/dbraw/zinc/00/32/18/219003218.db2.gz KOJZVQRYPPGWPA-CTWVWSKESA-N 1 1 324.327 2.728 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286464157 219003220 /nfs/dbraw/zinc/00/32/20/219003220.db2.gz KOJZVQRYPPGWPA-CTWVWSKESA-N 1 1 324.327 2.728 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(F)cc1F ZINC000602764535 399560547 /nfs/dbraw/zinc/56/05/47/399560547.db2.gz YUUPHMLETBFNJL-UHFFFAOYSA-N 1 1 310.304 2.510 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc(F)cc1F ZINC000602764535 399560550 /nfs/dbraw/zinc/56/05/50/399560550.db2.gz YUUPHMLETBFNJL-UHFFFAOYSA-N 1 1 310.304 2.510 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000602763251 399561126 /nfs/dbraw/zinc/56/11/26/399561126.db2.gz PPGIQXKRNQYVPZ-UHFFFAOYSA-N 1 1 310.304 2.510 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000602766518 399562850 /nfs/dbraw/zinc/56/28/50/399562850.db2.gz MJDIZPBJVBYRRM-UHFFFAOYSA-N 1 1 300.362 2.764 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCn3ncnc31)CCC2 ZINC000192939684 285145458 /nfs/dbraw/zinc/14/54/58/285145458.db2.gz GGOSKQBGWFTQER-CABCVRRESA-N 1 1 313.361 2.688 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccccc2[C@@H]1C ZINC000602778315 399568153 /nfs/dbraw/zinc/56/81/53/399568153.db2.gz XAFOSBBEYIIPDO-LBPRGKRZSA-N 1 1 300.362 2.719 20 5 DFBDMO CCOCCO[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000157793534 197215915 /nfs/dbraw/zinc/21/59/15/197215915.db2.gz QEVGPXZSKSPYMX-CJNGLKHVSA-N 1 1 308.378 2.783 20 5 DFBDMO Cc1ccc([C@@H]2CCC[N@H+]2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602784652 399572200 /nfs/dbraw/zinc/57/22/00/399572200.db2.gz VBEOLWKOOPCANF-ZDUSSCGKSA-N 1 1 304.350 2.838 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000602786034 399572937 /nfs/dbraw/zinc/57/29/37/399572937.db2.gz LHDSSKXFPPKXSD-INIZCTEOSA-N 1 1 304.394 2.922 20 5 DFBDMO C[C@H](NCCC[NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000423193370 296390720 /nfs/dbraw/zinc/39/07/20/296390720.db2.gz XHENKHPOPOBNIC-AWEZNQCLSA-N 1 1 314.389 2.820 20 5 DFBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602802204 399581424 /nfs/dbraw/zinc/58/14/24/399581424.db2.gz PSRJPMSAFPPIIC-NSHDSACASA-N 1 1 304.350 2.578 20 5 DFBDMO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000156530867 197120558 /nfs/dbraw/zinc/12/05/58/197120558.db2.gz ZSGMZDGXOXYUKO-YOEHRIQHSA-N 1 1 314.389 2.917 20 5 DFBDMO O=[N+]([O-])c1cccc(CN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602844749 399599211 /nfs/dbraw/zinc/59/92/11/399599211.db2.gz FHJFFVIDFLZGAJ-UHFFFAOYSA-N 1 1 312.373 2.702 20 5 DFBDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000155541961 197064457 /nfs/dbraw/zinc/06/44/57/197064457.db2.gz OWAYEZASFSPDGU-UHFFFAOYSA-N 1 1 307.394 2.625 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](n2ccnn2)C1 ZINC000602866730 399608940 /nfs/dbraw/zinc/60/89/40/399608940.db2.gz UFKWOKOKOGLRDD-GXTWGEPZSA-N 1 1 301.350 2.503 20 5 DFBDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000602882895 399614662 /nfs/dbraw/zinc/61/46/62/399614662.db2.gz VAQQLLRKGDZGGF-CYBMUJFWSA-N 1 1 302.334 2.664 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000602882895 399614666 /nfs/dbraw/zinc/61/46/66/399614666.db2.gz VAQQLLRKGDZGGF-CYBMUJFWSA-N 1 1 302.334 2.664 20 5 DFBDMO CSC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000602921290 399628044 /nfs/dbraw/zinc/62/80/44/399628044.db2.gz XHMCXJJKFVXYGV-NSHDSACASA-N 1 1 323.418 2.749 20 5 DFBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000289715974 221174820 /nfs/dbraw/zinc/17/48/20/221174820.db2.gz PCIIBQWOHNCNFJ-OAHLLOKOSA-N 1 1 319.405 2.784 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997770 399654753 /nfs/dbraw/zinc/65/47/53/399654753.db2.gz QMPQIPJJCSCKMO-JYJNAYRXSA-N 1 1 320.389 2.729 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCCO)C2)c(Cl)c1 ZINC000295035300 224392858 /nfs/dbraw/zinc/39/28/58/224392858.db2.gz WDEVJZLTKGWUHS-NSHDSACASA-N 1 1 313.785 2.507 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121528187 195304339 /nfs/dbraw/zinc/30/43/39/195304339.db2.gz FROFNMBPMWHJBW-MRXNPFEDSA-N 1 1 302.330 2.804 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121528187 195304341 /nfs/dbraw/zinc/30/43/41/195304341.db2.gz FROFNMBPMWHJBW-MRXNPFEDSA-N 1 1 302.330 2.804 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccncc1 ZINC000121585915 195310804 /nfs/dbraw/zinc/31/08/04/195310804.db2.gz DIJITBJTIGEXHR-UHFFFAOYSA-N 1 1 301.346 2.543 20 5 DFBDMO C[S@](=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000121830195 195356228 /nfs/dbraw/zinc/35/62/28/195356228.db2.gz LWVWMPTYZPKWKY-OPAMFIHVSA-N 1 1 318.398 2.804 20 5 DFBDMO Cn1cc(CSCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000603331210 399745752 /nfs/dbraw/zinc/74/57/52/399745752.db2.gz UVOYKOVTPVMXDZ-UHFFFAOYSA-N 1 1 320.418 2.694 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccnn1C ZINC000355283660 533382286 /nfs/dbraw/zinc/38/22/86/533382286.db2.gz BPJCBMSXLWSQGN-LCYFTJDESA-N 1 1 300.362 2.864 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ccnn1C ZINC000355283660 533382292 /nfs/dbraw/zinc/38/22/92/533382292.db2.gz BPJCBMSXLWSQGN-LCYFTJDESA-N 1 1 300.362 2.864 20 5 DFBDMO Cc1cccc(C[NH+]2CCN(c3cccnc3[N+](=O)[O-])CC2)c1 ZINC000603840167 399807238 /nfs/dbraw/zinc/80/72/38/399807238.db2.gz LHPWFXXBEGMSKK-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO C[C@@H](CNc1cccnc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000603849961 399808669 /nfs/dbraw/zinc/80/86/69/399808669.db2.gz YUDSJHIOOAYCHE-ZDUSSCGKSA-N 1 1 312.373 2.849 20 5 DFBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000613188091 399814127 /nfs/dbraw/zinc/81/41/27/399814127.db2.gz IZJTXVBXOUILTN-LBPRGKRZSA-N 1 1 318.402 2.935 20 5 DFBDMO CC[N@@H+]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000613301995 399844528 /nfs/dbraw/zinc/84/45/28/399844528.db2.gz PVCGADYUSBMBNO-JSGCOSHPSA-N 1 1 320.393 2.673 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)o1 ZINC000604554221 399855748 /nfs/dbraw/zinc/85/57/48/399855748.db2.gz NZBZCFLLZXIPBG-AWEZNQCLSA-N 1 1 316.361 2.974 20 5 DFBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@H+](C2CC2)CC1 ZINC000171831461 145281110 /nfs/dbraw/zinc/28/11/10/145281110.db2.gz BVGAXYVAUNRAKT-UHFFFAOYSA-N 1 1 312.373 2.818 20 5 DFBDMO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000414007945 543323761 /nfs/dbraw/zinc/32/37/61/543323761.db2.gz UHUSGCNETZVMFV-ZDUSSCGKSA-N 1 1 319.405 2.716 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174189253 145370768 /nfs/dbraw/zinc/37/07/68/145370768.db2.gz QZNZAIXECNWOFZ-OLZOCXBDSA-N 1 1 320.393 2.850 20 5 DFBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000237523055 146045620 /nfs/dbraw/zinc/04/56/20/146045620.db2.gz KZWQROZRCNYODT-VIFPVBQESA-N 1 1 320.374 2.998 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245498012 146078179 /nfs/dbraw/zinc/07/81/79/146078179.db2.gz VFSHIQHJJIQCPU-SWLSCSKDSA-N 1 1 320.393 2.789 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246707477 146150949 /nfs/dbraw/zinc/15/09/49/146150949.db2.gz NOZIVEBPVZQOOH-YOEHRIQHSA-N 1 1 320.389 2.865 20 5 DFBDMO CCOCCO[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255320896 146232991 /nfs/dbraw/zinc/23/29/91/146232991.db2.gz ICBMKZLSXGZAIE-WRLNGNIRSA-N 1 1 320.389 2.735 20 5 DFBDMO Cc1c(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262449830 146361195 /nfs/dbraw/zinc/36/11/95/146361195.db2.gz HSCHTPQBQVUBMT-BZUAXINKSA-N 1 1 303.406 2.914 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000354379817 147016252 /nfs/dbraw/zinc/01/62/52/147016252.db2.gz COPMKGNMFGCAOC-VXGBXAGGSA-N 1 1 323.368 2.679 20 5 DFBDMO COc1cccc(NCCNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000355369665 147286397 /nfs/dbraw/zinc/28/63/97/147286397.db2.gz BAFYQOHOGGCSSJ-UHFFFAOYSA-N 1 1 302.334 2.831 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)[C@H]1CCCSC1 ZINC000355498513 147338409 /nfs/dbraw/zinc/33/84/09/147338409.db2.gz NSXHXYYMEXANQT-BYPUDFOVSA-N 1 1 322.430 2.798 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)[C@@H]1CCCSC1 ZINC000355498517 147338424 /nfs/dbraw/zinc/33/84/24/147338424.db2.gz NSXHXYYMEXANQT-YFCVBGDOSA-N 1 1 322.430 2.798 20 5 DFBDMO CC(C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438490700 297095221 /nfs/dbraw/zinc/09/52/21/297095221.db2.gz LLZQJUUGFQNGSS-ZDUSSCGKSA-N 1 1 305.378 2.901 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000357651062 148070074 /nfs/dbraw/zinc/07/00/74/148070074.db2.gz NBFPLRLOEAABJI-INIZCTEOSA-N 1 1 314.389 2.889 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000357666931 148076911 /nfs/dbraw/zinc/07/69/11/148076911.db2.gz RTUVGAAVDNKZAS-WCQYABFASA-N 1 1 306.366 2.507 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357668515 148078158 /nfs/dbraw/zinc/07/81/58/148078158.db2.gz VYXDZOYYMMSAFJ-VXGBXAGGSA-N 1 1 306.366 2.507 20 5 DFBDMO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000358009933 148210246 /nfs/dbraw/zinc/21/02/46/148210246.db2.gz WVSKRTOHJSGXNU-GFCCVEGCSA-N 1 1 313.357 2.805 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000360990238 149001243 /nfs/dbraw/zinc/00/12/43/149001243.db2.gz JZYKOQDEYAOMGW-ZDUSSCGKSA-N 1 1 305.378 2.575 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+]CCCCF)c1cccc([N+](=O)[O-])c1 ZINC000360997232 149002769 /nfs/dbraw/zinc/00/27/69/149002769.db2.gz BRWBQVGDXQWWCZ-CQSZACIVSA-N 1 1 306.341 2.757 20 5 DFBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCOC1 ZINC000361250501 149065989 /nfs/dbraw/zinc/06/59/89/149065989.db2.gz KGJTWMSEHVLQFX-LBPRGKRZSA-N 1 1 316.304 2.807 20 5 DFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCOC1 ZINC000361250501 149065990 /nfs/dbraw/zinc/06/59/90/149065990.db2.gz KGJTWMSEHVLQFX-LBPRGKRZSA-N 1 1 316.304 2.807 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000361470682 149124337 /nfs/dbraw/zinc/12/43/37/149124337.db2.gz UTASGBSVVINRKF-KGLIPLIRSA-N 1 1 322.405 2.845 20 5 DFBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC1CCC1 ZINC000361481247 149126037 /nfs/dbraw/zinc/12/60/37/149126037.db2.gz KQQYOEPAEGQAGK-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[N@@H+](CC1CCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361482012 149126702 /nfs/dbraw/zinc/12/67/02/149126702.db2.gz SYMFCKGAGHUKND-INIZCTEOSA-N 1 1 317.389 2.822 20 5 DFBDMO Cn1nccc1[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000361630109 149173789 /nfs/dbraw/zinc/17/37/89/149173789.db2.gz SVXIOTUVNBLUBS-LBPRGKRZSA-N 1 1 306.391 2.769 20 5 DFBDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000361630109 149173791 /nfs/dbraw/zinc/17/37/91/149173791.db2.gz SVXIOTUVNBLUBS-LBPRGKRZSA-N 1 1 306.391 2.769 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000362743223 149356853 /nfs/dbraw/zinc/35/68/53/149356853.db2.gz WBNGAJNZUMFVBL-HNNXBMFYSA-N 1 1 320.393 2.707 20 5 DFBDMO COCC[C@@H]1CCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372088624 150135882 /nfs/dbraw/zinc/13/58/82/150135882.db2.gz NWUOCVPEBDLJDC-YOEHRIQHSA-N 1 1 322.405 2.767 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCCn3cc[nH+]c32)c(Cl)c1 ZINC000372190730 150147674 /nfs/dbraw/zinc/14/76/74/150147674.db2.gz CZRADZMKTHDLNV-SECBINFHSA-N 1 1 307.741 2.829 20 5 DFBDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000351602866 286166148 /nfs/dbraw/zinc/16/61/48/286166148.db2.gz JCKKTEADNZIMMX-GHMZBOCLSA-N 1 1 324.356 2.680 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000372811421 150187247 /nfs/dbraw/zinc/18/72/47/150187247.db2.gz FMTOWAYTLRULJY-INIZCTEOSA-N 1 1 306.362 2.606 20 5 DFBDMO CCC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000373781662 150257673 /nfs/dbraw/zinc/25/76/73/150257673.db2.gz IXEWLWAAIMXXOA-UHFFFAOYSA-N 1 1 307.394 2.521 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351633056 286176473 /nfs/dbraw/zinc/17/64/73/286176473.db2.gz YEXAULSKWFFBBS-GXTWGEPZSA-N 1 1 308.378 2.586 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000375034772 150389388 /nfs/dbraw/zinc/38/93/88/150389388.db2.gz DHTZPXYMBLVDGP-IUODEOHRSA-N 1 1 309.797 2.774 20 5 DFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352408976 286366215 /nfs/dbraw/zinc/36/62/15/286366215.db2.gz XENIFNNLZJNVSU-FCHSOHFDSA-N 1 1 314.332 2.854 20 5 DFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352408976 286366217 /nfs/dbraw/zinc/36/62/17/286366217.db2.gz XENIFNNLZJNVSU-FCHSOHFDSA-N 1 1 314.332 2.854 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000352452770 286378009 /nfs/dbraw/zinc/37/80/09/286378009.db2.gz BFCCHSGZUBGDCR-CYBMUJFWSA-N 1 1 319.405 2.884 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000276480401 286384135 /nfs/dbraw/zinc/38/41/35/286384135.db2.gz SAEFGPJHHSFRNX-GFCCVEGCSA-N 1 1 308.378 2.729 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000292449176 286382381 /nfs/dbraw/zinc/38/23/81/286382381.db2.gz ZAXVVRHLWYKKHC-CYBMUJFWSA-N 1 1 319.405 2.914 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000371529542 292296690 /nfs/dbraw/zinc/29/66/90/292296690.db2.gz SQHQSYYBCBXCDR-VBQJREDUSA-N 1 1 303.406 2.990 20 5 DFBDMO Cc1sc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247545922 158143225 /nfs/dbraw/zinc/14/32/25/158143225.db2.gz YINCVIBFTMDCCW-ONGXEEELSA-N 1 1 311.407 2.519 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247942495 158152984 /nfs/dbraw/zinc/15/29/84/158152984.db2.gz DCVDWDPJUZOTEB-BLLLJJGKSA-N 1 1 308.353 2.861 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247942495 158152985 /nfs/dbraw/zinc/15/29/85/158152985.db2.gz DCVDWDPJUZOTEB-BLLLJJGKSA-N 1 1 308.353 2.861 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247981215 158154916 /nfs/dbraw/zinc/15/49/16/158154916.db2.gz IIJYDGHPNBNZJT-YOEHRIQHSA-N 1 1 320.389 2.601 20 5 DFBDMO CC(C)C[N@@H+]1CCO[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000248408897 158173890 /nfs/dbraw/zinc/17/38/90/158173890.db2.gz FNOQKOYJBWRQAZ-RHSMWYFYSA-N 1 1 321.421 2.602 20 5 DFBDMO CC(C)C[N@H+]1CCO[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000248408897 158173891 /nfs/dbraw/zinc/17/38/91/158173891.db2.gz FNOQKOYJBWRQAZ-RHSMWYFYSA-N 1 1 321.421 2.602 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252551633 158206057 /nfs/dbraw/zinc/20/60/57/158206057.db2.gz PUCNCOZQGPEPCS-QWRGUYRKSA-N 1 1 311.769 2.523 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000358297947 158370096 /nfs/dbraw/zinc/37/00/96/158370096.db2.gz DEOYBKNTZUKUEH-NSHDSACASA-N 1 1 311.357 2.584 20 5 DFBDMO C[C@@H](NC[C@@]1([NH+](C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269000946 287034196 /nfs/dbraw/zinc/03/41/96/287034196.db2.gz UWQPCEFBJQFBBE-DOMZBBRYSA-N 1 1 309.435 2.683 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CNc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000133262716 196326314 /nfs/dbraw/zinc/32/63/14/196326314.db2.gz WVJJXPFRVMVRPW-NSHDSACASA-N 1 1 311.357 2.886 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000296605889 226043019 /nfs/dbraw/zinc/04/30/19/226043019.db2.gz GKLMMBHTQRAANS-UHFFFAOYSA-N 1 1 314.345 2.617 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)ccc1Cl ZINC000291022735 222079353 /nfs/dbraw/zinc/07/93/53/222079353.db2.gz AKWDXRGWUXMUGE-GFCCVEGCSA-N 1 1 306.753 2.892 20 5 DFBDMO 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C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280638120 426620957 /nfs/dbraw/zinc/62/09/57/426620957.db2.gz XYTOTLYQOYDGIE-XJKCOSOUSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280638120 426620964 /nfs/dbraw/zinc/62/09/64/426620964.db2.gz XYTOTLYQOYDGIE-XJKCOSOUSA-N 1 1 306.362 2.536 20 5 DFBDMO CCCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273028602 426578831 /nfs/dbraw/zinc/57/88/31/426578831.db2.gz MGKWKJZGDMSKQU-AWEZNQCLSA-N 1 1 308.378 2.599 20 5 DFBDMO CC(=O)c1ccc(N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000265224733 426600938 /nfs/dbraw/zinc/60/09/38/426600938.db2.gz PEVPJZVPUDNOGF-ZDUSSCGKSA-N 1 1 305.378 2.575 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CC2)C1 ZINC000186975290 426616218 /nfs/dbraw/zinc/61/62/18/426616218.db2.gz YSSJUEKCYRQMIM-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCC2(CC2)C1 ZINC000186975290 426616223 /nfs/dbraw/zinc/61/62/23/426616223.db2.gz YSSJUEKCYRQMIM-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO O=[N+]([O-])c1cc(CN2CCC[N@H+](C3CC3)CC2)ccc1Cl ZINC000178019242 426556644 /nfs/dbraw/zinc/55/66/44/426556644.db2.gz TYTNFVSIWUHGAQ-UHFFFAOYSA-N 1 1 309.797 2.918 20 5 DFBDMO CCC(=O)c1ccc(N(C)[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000280643103 426623540 /nfs/dbraw/zinc/62/35/40/426623540.db2.gz DNSMRAQHNBPYCN-ZDUSSCGKSA-N 1 1 305.378 2.718 20 5 DFBDMO CCC[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1cccc([N+](=O)[O-])c1 ZINC000187734832 426689427 /nfs/dbraw/zinc/68/94/27/426689427.db2.gz ADSSHLXRKFIDQN-OAHLLOKOSA-N 1 1 317.345 2.918 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000273653586 426702892 /nfs/dbraw/zinc/70/28/92/426702892.db2.gz HBEUXGGGNJDXQQ-LLVKDONJSA-N 1 1 305.378 2.562 20 5 DFBDMO C[C@@H]1c2cccn2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178855772 426708335 /nfs/dbraw/zinc/70/83/35/426708335.db2.gz BRYUQMXJPIBNFF-WBMJQRKESA-N 1 1 301.346 2.507 20 5 DFBDMO C[C@@H]1c2cccn2CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178855772 426708341 /nfs/dbraw/zinc/70/83/41/426708341.db2.gz BRYUQMXJPIBNFF-WBMJQRKESA-N 1 1 301.346 2.507 20 5 DFBDMO CC(C)c1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000187776455 426693798 /nfs/dbraw/zinc/69/37/98/426693798.db2.gz OTEAMXXSNBVTMJ-CQSZACIVSA-N 1 1 319.405 2.884 20 5 DFBDMO CCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266547854 426735432 /nfs/dbraw/zinc/73/54/32/426735432.db2.gz SKDYZYTXUDDVIH-KGLIPLIRSA-N 1 1 319.405 2.894 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C(C)C ZINC000266662692 426758274 /nfs/dbraw/zinc/75/82/74/426758274.db2.gz MIXNBDQLJWXINM-HNNXBMFYSA-N 1 1 305.378 2.962 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000290737385 426828234 /nfs/dbraw/zinc/82/82/34/426828234.db2.gz RFTNGIPHENWKKO-ZDUSSCGKSA-N 1 1 322.409 2.514 20 5 DFBDMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000267246050 426853490 /nfs/dbraw/zinc/85/34/90/426853490.db2.gz SWRJJPBTCBFHOX-CYBMUJFWSA-N 1 1 304.325 2.908 20 5 DFBDMO C[C@@H]([N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)O ZINC000295221857 426869892 /nfs/dbraw/zinc/86/98/92/426869892.db2.gz VSUNUOOHVHNKDW-LLVKDONJSA-N 1 1 319.361 2.841 20 5 DFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nccn1C(F)F ZINC000282354084 426889245 /nfs/dbraw/zinc/88/92/45/426889245.db2.gz CTTOMFPWPABGKB-UHFFFAOYSA-N 1 1 310.304 2.861 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nccn1C(F)F ZINC000282354084 426889253 /nfs/dbraw/zinc/88/92/53/426889253.db2.gz CTTOMFPWPABGKB-UHFFFAOYSA-N 1 1 310.304 2.861 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000247038833 426894502 /nfs/dbraw/zinc/89/45/02/426894502.db2.gz UZTWEKDDWFNOAK-CZUORRHYSA-N 1 1 322.405 2.975 20 5 DFBDMO C[N@@H+](CCO[C@@H]1CCCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000282422078 426910111 /nfs/dbraw/zinc/91/01/11/426910111.db2.gz JLKHWNFGKDLCNQ-MRXNPFEDSA-N 1 1 308.378 2.612 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000247531670 426950312 /nfs/dbraw/zinc/95/03/12/426950312.db2.gz XOWGTDXGWVXDMP-JQWIXIFHSA-N 1 1 323.780 2.557 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)CC(F)(F)F)C2CC2)cc1 ZINC000189791881 426952808 /nfs/dbraw/zinc/95/28/08/426952808.db2.gz ZFCLCBCHECRDBK-ZDUSSCGKSA-N 1 1 318.295 2.873 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000268256057 426965936 /nfs/dbraw/zinc/96/59/36/426965936.db2.gz QIIYVNIVMVFYKS-BLLLJJGKSA-N 1 1 307.394 2.882 20 5 DFBDMO CC[C@H]([NH2+]Cc1ccc(OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000283205515 426974277 /nfs/dbraw/zinc/97/42/77/426974277.db2.gz RPKPFYUTUNTYHT-AWEZNQCLSA-N 1 1 302.334 2.634 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000248061337 426979010 /nfs/dbraw/zinc/97/90/10/426979010.db2.gz YOIQWVGMRLTYSA-RDJZCZTQSA-N 1 1 304.390 2.764 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248326266 426991278 /nfs/dbraw/zinc/99/12/78/426991278.db2.gz BTRAYRCSMWLPJK-WOPDTQHZSA-N 1 1 321.377 2.661 20 5 DFBDMO Cc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cs1 ZINC000296053481 427060476 /nfs/dbraw/zinc/06/04/76/427060476.db2.gz PWQDMBZYEFJTRC-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCNC(=O)CC1 ZINC000295536336 426997371 /nfs/dbraw/zinc/99/73/71/426997371.db2.gz NWIPBQWPYZZQED-OAHLLOKOSA-N 1 1 319.405 2.722 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000248474816 427003955 /nfs/dbraw/zinc/00/39/55/427003955.db2.gz XKFHCYMATWMHBJ-ZNMIVQPWSA-N 1 1 320.389 2.599 20 5 DFBDMO CC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000248470402 427004475 /nfs/dbraw/zinc/00/44/75/427004475.db2.gz VAGKWXXMMZJUKN-HUUCEWRRSA-N 1 1 322.405 2.847 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291917976 427025836 /nfs/dbraw/zinc/02/58/36/427025836.db2.gz LITQWYWTLBIDOD-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)c1ccccc1 ZINC000283639351 427049624 /nfs/dbraw/zinc/04/96/24/427049624.db2.gz SOCPHKDKKZGCNM-INIZCTEOSA-N 1 1 304.321 2.899 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](CO)c1ccccc1 ZINC000283639351 427049627 /nfs/dbraw/zinc/04/96/27/427049627.db2.gz SOCPHKDKKZGCNM-INIZCTEOSA-N 1 1 304.321 2.899 20 5 DFBDMO CC[N@H+]1CCCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000276439922 427067158 /nfs/dbraw/zinc/06/71/58/427067158.db2.gz RGWOBYDGAMEUJT-UHFFFAOYSA-N 1 1 320.393 2.771 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000276436027 427068176 /nfs/dbraw/zinc/06/81/76/427068176.db2.gz QPGGMAFKUPJAGP-YNEHKIRRSA-N 1 1 306.362 2.787 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000337999313 427085627 /nfs/dbraw/zinc/08/56/27/427085627.db2.gz SVILNUYVYUNGSR-TZMCWYRMSA-N 1 1 319.405 2.753 20 5 DFBDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000296157752 427093694 /nfs/dbraw/zinc/09/36/94/427093694.db2.gz SRMUKVJNSXHIRM-SNVBAGLBSA-N 1 1 319.321 2.570 20 5 DFBDMO CCOC[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000283911854 427097625 /nfs/dbraw/zinc/09/76/25/427097625.db2.gz GRXJUCIAYZBMIZ-SNVBAGLBSA-N 1 1 300.305 2.731 20 5 DFBDMO CCOC[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000283911854 427097632 /nfs/dbraw/zinc/09/76/32/427097632.db2.gz GRXJUCIAYZBMIZ-SNVBAGLBSA-N 1 1 300.305 2.731 20 5 DFBDMO CC(=O)N1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182587510 427106366 /nfs/dbraw/zinc/10/63/66/427106366.db2.gz VYUYHEFIAIECMC-CYBMUJFWSA-N 1 1 305.378 2.518 20 5 DFBDMO COCC(C)(C)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000292230111 427139781 /nfs/dbraw/zinc/13/97/81/427139781.db2.gz VSHILXJNDFXYTC-UHFFFAOYSA-N 1 1 323.393 2.589 20 5 DFBDMO Cc1cc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000182764268 427141477 /nfs/dbraw/zinc/14/14/77/427141477.db2.gz ILJQFWZTPHGVBJ-CYBMUJFWSA-N 1 1 320.393 2.709 20 5 DFBDMO Cc1cccc2c1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000277283450 427152426 /nfs/dbraw/zinc/15/24/26/427152426.db2.gz SNGNDRXKOBCKCQ-SFHVURJKSA-N 1 1 312.369 2.995 20 5 DFBDMO CCc1ccc(C(=O)NCC[N@H+](C)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000174171705 271130606 /nfs/dbraw/zinc/13/06/06/271130606.db2.gz ZGMNUPRQDSGTHO-GFCCVEGCSA-N 1 1 307.394 2.617 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000175034510 271145056 /nfs/dbraw/zinc/14/50/56/271145056.db2.gz VHNSCIZZVOVJPT-LSDHHAIUSA-N 1 1 319.405 2.532 20 5 DFBDMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000178332401 271193132 /nfs/dbraw/zinc/19/31/32/271193132.db2.gz VLAOKZRPOUUYDS-OAHLLOKOSA-N 1 1 300.362 2.764 20 5 DFBDMO Cc1cc(N2CC[N@H+]3CCC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000182931644 427169401 /nfs/dbraw/zinc/16/94/01/427169401.db2.gz CKSAYJSBICGIFD-CYBMUJFWSA-N 1 1 312.373 2.736 20 5 DFBDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270557547 271308090 /nfs/dbraw/zinc/30/80/90/271308090.db2.gz JGAXPJAAYUAQMF-CQSZACIVSA-N 1 1 315.373 2.758 20 5 DFBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000272441286 271317853 /nfs/dbraw/zinc/31/78/53/271317853.db2.gz BDPWUQQXXUDRJQ-ZFWWWQNUSA-N 1 1 308.378 2.586 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(CN2CC[N@H+]3CCCC[C@H]3C2)c(F)c1 ZINC000284298698 427178650 /nfs/dbraw/zinc/17/86/50/427178650.db2.gz UVIPVUOOKWEOJY-NSHDSACASA-N 1 1 311.332 2.543 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269453538 427200690 /nfs/dbraw/zinc/20/06/90/427200690.db2.gz WMFMPAUCIVZNPZ-CJNGLKHVSA-N 1 1 316.405 2.751 20 5 DFBDMO COc1ccc(CNC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277494705 427221919 /nfs/dbraw/zinc/22/19/19/427221919.db2.gz OFGNOKSGZYDJRY-HNNXBMFYSA-N 1 1 319.405 2.710 20 5 DFBDMO COc1ccc(CNC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277494705 427221928 /nfs/dbraw/zinc/22/19/28/427221928.db2.gz OFGNOKSGZYDJRY-HNNXBMFYSA-N 1 1 319.405 2.710 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000330399460 427230207 /nfs/dbraw/zinc/23/02/07/427230207.db2.gz RMMRWDQNRVGPMY-OCCSQVGLSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1[N+](=O)[O-] ZINC000183239914 427230266 /nfs/dbraw/zinc/23/02/66/427230266.db2.gz HHCATWKMYKHQSA-OAHLLOKOSA-N 1 1 320.389 2.878 20 5 DFBDMO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000330421984 427235794 /nfs/dbraw/zinc/23/57/94/427235794.db2.gz QLMCGONDJRUYRZ-UKRRQHHQSA-N 1 1 319.405 2.892 20 5 DFBDMO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000330421984 427235804 /nfs/dbraw/zinc/23/58/04/427235804.db2.gz QLMCGONDJRUYRZ-UKRRQHHQSA-N 1 1 319.405 2.892 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)c2cccnc2)C2CC2)c1 ZINC000296825142 427241711 /nfs/dbraw/zinc/24/17/11/427241711.db2.gz RFSYHJIDDIJLRP-KRWDZBQOSA-N 1 1 313.357 2.688 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330671059 427286850 /nfs/dbraw/zinc/28/68/50/427286850.db2.gz MJYOJMIOWKQFMH-OCCSQVGLSA-N 1 1 307.394 2.566 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000183390906 427260676 /nfs/dbraw/zinc/26/06/76/427260676.db2.gz BHGDBQCSXVAENF-GJZGRUSLSA-N 1 1 308.403 2.610 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000293367491 427304220 /nfs/dbraw/zinc/30/42/20/427304220.db2.gz ORIQQGKBPOEBHH-SFHVURJKSA-N 1 1 314.385 2.673 20 5 DFBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000270348583 427330328 /nfs/dbraw/zinc/33/03/28/427330328.db2.gz HBMQFXXFLOQWFR-UHFFFAOYSA-N 1 1 300.362 2.585 20 5 DFBDMO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261909870 427342806 /nfs/dbraw/zinc/34/28/06/427342806.db2.gz QCKWBRLZCUGWOO-CQDKDKBSSA-N 1 1 312.373 2.625 20 5 DFBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000277696390 427288076 /nfs/dbraw/zinc/28/80/76/427288076.db2.gz VWCBAIGAYPFARC-OAHLLOKOSA-N 1 1 318.377 2.733 20 5 DFBDMO COCC[N@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1C ZINC000191243448 427298263 /nfs/dbraw/zinc/29/82/63/427298263.db2.gz XFPQTEILCUBBPT-UHFFFAOYSA-N 1 1 315.373 2.947 20 5 DFBDMO COCC[N@@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1C ZINC000191243448 427298272 /nfs/dbraw/zinc/29/82/72/427298272.db2.gz XFPQTEILCUBBPT-UHFFFAOYSA-N 1 1 315.373 2.947 20 5 DFBDMO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277975119 427373204 /nfs/dbraw/zinc/37/32/04/427373204.db2.gz QGIXNMOEDXRSAA-OAHLLOKOSA-N 1 1 317.389 2.650 20 5 DFBDMO CC(C)[N@H+](CCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271021825 427375915 /nfs/dbraw/zinc/37/59/15/427375915.db2.gz CEDDFTUZBLPDFI-UHFFFAOYSA-N 1 1 321.402 2.921 20 5 DFBDMO CC(C)[N@@H+](CCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271021825 427375922 /nfs/dbraw/zinc/37/59/22/427375922.db2.gz CEDDFTUZBLPDFI-UHFFFAOYSA-N 1 1 321.402 2.921 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286013238 427402395 /nfs/dbraw/zinc/40/23/95/427402395.db2.gz FGQWFKRMWFMFEX-SNVBAGLBSA-N 1 1 321.406 2.886 20 5 DFBDMO COc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000271097703 427403542 /nfs/dbraw/zinc/40/35/42/427403542.db2.gz NNDMKVFHHSKZDC-YPMHNXCESA-N 1 1 323.368 2.663 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297444995 427405153 /nfs/dbraw/zinc/40/51/53/427405153.db2.gz IYYOQSHWHDZSSC-DGCLKSJQSA-N 1 1 315.377 2.534 20 5 DFBDMO CCOc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000338742746 427465007 /nfs/dbraw/zinc/46/50/07/427465007.db2.gz HEKKTGGALRVTQJ-KRWDZBQOSA-N 1 1 319.405 2.916 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](C)CC1 ZINC000297884236 427475810 /nfs/dbraw/zinc/47/58/10/427475810.db2.gz NOYLQYSPTXPENT-UHFFFAOYSA-N 1 1 307.394 2.520 20 5 DFBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000184258275 427425575 /nfs/dbraw/zinc/42/55/75/427425575.db2.gz KUXQHGXRGOCJAJ-LBPRGKRZSA-N 1 1 312.341 2.743 20 5 DFBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000184258275 427425581 /nfs/dbraw/zinc/42/55/81/427425581.db2.gz KUXQHGXRGOCJAJ-LBPRGKRZSA-N 1 1 312.341 2.743 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000338676816 427434167 /nfs/dbraw/zinc/43/41/67/427434167.db2.gz PDCFTDZYFLSBQO-CYBMUJFWSA-N 1 1 307.394 2.914 20 5 DFBDMO Cc1noc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000332076177 427503544 /nfs/dbraw/zinc/50/35/44/427503544.db2.gz GBQQBGKKABJKON-NSHDSACASA-N 1 1 322.752 2.929 20 5 DFBDMO Cc1noc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000332076177 427503549 /nfs/dbraw/zinc/50/35/49/427503549.db2.gz GBQQBGKKABJKON-NSHDSACASA-N 1 1 322.752 2.929 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286364056 427505778 /nfs/dbraw/zinc/50/57/78/427505778.db2.gz GAIGWLOAPXFIKH-NEPJUHHUSA-N 1 1 318.295 2.588 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286364056 427505784 /nfs/dbraw/zinc/50/57/84/427505784.db2.gz GAIGWLOAPXFIKH-NEPJUHHUSA-N 1 1 318.295 2.588 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000332454863 427614908 /nfs/dbraw/zinc/61/49/08/427614908.db2.gz GGOVBWRKPSNFLG-CABCVRRESA-N 1 1 319.405 2.532 20 5 DFBDMO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+](C)C1CC1 ZINC000263955569 427618484 /nfs/dbraw/zinc/61/84/84/427618484.db2.gz SJUAONVTUUNJIR-JTQLQIEISA-N 1 1 317.345 2.554 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332290753 427571445 /nfs/dbraw/zinc/57/14/45/427571445.db2.gz JIZYLFLQKZNXJB-AAEUAGOBSA-N 1 1 301.350 2.654 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332326182 427580206 /nfs/dbraw/zinc/58/02/06/427580206.db2.gz OLRYFHDCESWMCP-NWDGAFQWSA-N 1 1 301.350 2.654 20 5 DFBDMO COCCO[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000338951826 427584404 /nfs/dbraw/zinc/58/44/04/427584404.db2.gz CHWQATXZEIJRTK-HQQUCIOCSA-N 1 1 320.389 2.735 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccncc3Cl)CC2)n1 ZINC000332428529 427609790 /nfs/dbraw/zinc/60/97/90/427609790.db2.gz DERZIWMGLBNNCA-UHFFFAOYSA-N 1 1 321.768 2.677 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287558223 427638535 /nfs/dbraw/zinc/63/85/35/427638535.db2.gz WSTCIIGWYPLHRN-UKRRQHHQSA-N 1 1 317.389 2.600 20 5 DFBDMO CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])c2ccc[nH+]c21 ZINC000342545759 272021559 /nfs/dbraw/zinc/02/15/59/272021559.db2.gz XKWVREKSACAYDU-UHFFFAOYSA-N 1 1 302.309 2.585 20 5 DFBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000343068688 272082592 /nfs/dbraw/zinc/08/25/92/272082592.db2.gz VPVZABMHIBSDKG-CHWSQXEVSA-N 1 1 305.378 2.588 20 5 DFBDMO Cn1cc[nH+]c1N1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000343215353 272097665 /nfs/dbraw/zinc/09/76/65/272097665.db2.gz BAEULIFWTCCPJC-UHFFFAOYSA-N 1 1 319.340 2.548 20 5 DFBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000343228589 272100155 /nfs/dbraw/zinc/10/01/55/272100155.db2.gz KSKSHYRVNJUNAE-UHFFFAOYSA-N 1 1 323.418 2.531 20 5 DFBDMO CC[N@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC000343282761 272112728 /nfs/dbraw/zinc/11/27/28/272112728.db2.gz IXUSIUZOZQTDAJ-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000339094864 427673195 /nfs/dbraw/zinc/67/31/95/427673195.db2.gz YILICPMKJYQFLX-HNNXBMFYSA-N 1 1 306.362 2.691 20 5 DFBDMO Cc1nc(N2CC([N@@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000343605462 272182260 /nfs/dbraw/zinc/18/22/60/272182260.db2.gz JDDVJRHUWXMGRE-UHFFFAOYSA-N 1 1 312.373 2.619 20 5 DFBDMO CC[C@@H](CO)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295069259 427679986 /nfs/dbraw/zinc/67/99/86/427679986.db2.gz HGEVADNYIQMNIV-ZDUSSCGKSA-N 1 1 321.402 2.921 20 5 DFBDMO CC[C@@H](CO)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295069259 427680002 /nfs/dbraw/zinc/68/00/02/427680002.db2.gz HGEVADNYIQMNIV-ZDUSSCGKSA-N 1 1 321.402 2.921 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000344025459 272250527 /nfs/dbraw/zinc/25/05/27/272250527.db2.gz YYAJGJXITWRUGS-ZDUSSCGKSA-N 1 1 303.362 2.574 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000344204359 272286721 /nfs/dbraw/zinc/28/67/21/272286721.db2.gz GSQYXDZXGNIDPI-ZDUSSCGKSA-N 1 1 305.378 2.562 20 5 DFBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000344425847 272330333 /nfs/dbraw/zinc/33/03/33/272330333.db2.gz WQESDTZEPVQZLK-ZFWWWQNUSA-N 1 1 322.409 2.539 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000344608377 272346722 /nfs/dbraw/zinc/34/67/22/272346722.db2.gz GCZHKAPBKWBJFB-NSHDSACASA-N 1 1 311.407 2.507 20 5 DFBDMO Cc1c(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000344738693 272363333 /nfs/dbraw/zinc/36/33/33/272363333.db2.gz ZSXGCVUNQLQJJT-HNNXBMFYSA-N 1 1 319.405 2.753 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000344737017 272363466 /nfs/dbraw/zinc/36/34/66/272363466.db2.gz XPISZTZFISOHAX-NSHDSACASA-N 1 1 311.407 2.507 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193863704 427721661 /nfs/dbraw/zinc/72/16/61/427721661.db2.gz HHTJHNFLDQSZDH-LLVKDONJSA-N 1 1 304.325 2.837 20 5 DFBDMO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185677238 427689075 /nfs/dbraw/zinc/68/90/75/427689075.db2.gz KAGOUMPWENKCNS-ABAIWWIYSA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000339132067 427693403 /nfs/dbraw/zinc/69/34/03/427693403.db2.gz NAEZVRCUTFCVCE-ZDUSSCGKSA-N 1 1 308.353 2.982 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295109621 427697919 /nfs/dbraw/zinc/69/79/19/427697919.db2.gz KXQCLZYCZGLHOE-CMPLNLGQSA-N 1 1 323.780 2.557 20 5 DFBDMO CC(=O)c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000299524850 427766556 /nfs/dbraw/zinc/76/65/56/427766556.db2.gz LVZYLUCTNCLEHF-UHFFFAOYSA-N 1 1 314.345 2.905 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+](C)C2CCCC2)c1 ZINC000336871979 427769137 /nfs/dbraw/zinc/76/91/37/427769137.db2.gz JQEZRIJOTNJBDP-UHFFFAOYSA-N 1 1 321.377 2.668 20 5 DFBDMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301063123 427773009 /nfs/dbraw/zinc/77/30/09/427773009.db2.gz CEOPXHJLJBTPQB-LLVKDONJSA-N 1 1 308.338 2.647 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301178585 427780284 /nfs/dbraw/zinc/78/02/84/427780284.db2.gz GYCUEGACLCEQKJ-BETUJISGSA-N 1 1 322.409 2.598 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301178585 427780287 /nfs/dbraw/zinc/78/02/87/427780287.db2.gz GYCUEGACLCEQKJ-BETUJISGSA-N 1 1 322.409 2.598 20 5 DFBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000301345727 427790255 /nfs/dbraw/zinc/79/02/55/427790255.db2.gz GRMFYHHPGSTVIY-LLVKDONJSA-N 1 1 313.785 2.628 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000299050471 427742740 /nfs/dbraw/zinc/74/27/40/427742740.db2.gz HNPCHZLEZOYKIT-CYBMUJFWSA-N 1 1 305.378 2.941 20 5 DFBDMO Cc1ccnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000336705018 427747347 /nfs/dbraw/zinc/74/73/47/427747347.db2.gz HQINOAMWYROGSY-HNNXBMFYSA-N 1 1 312.373 2.985 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336717842 427751216 /nfs/dbraw/zinc/75/12/16/427751216.db2.gz QRHJOJCSFOJYQX-HNNXBMFYSA-N 1 1 312.373 2.985 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301561288 427805473 /nfs/dbraw/zinc/80/54/73/427805473.db2.gz IMVIKHMPGLXERZ-AAEUAGOBSA-N 1 1 320.349 2.566 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000301589911 427808120 /nfs/dbraw/zinc/80/81/20/427808120.db2.gz YHNSAHSCWGJTMQ-CQSZACIVSA-N 1 1 307.394 2.672 20 5 DFBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000301657003 427813041 /nfs/dbraw/zinc/81/30/41/427813041.db2.gz BDLSODFHJMBNIS-GFCCVEGCSA-N 1 1 318.352 2.927 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000301721081 427818939 /nfs/dbraw/zinc/81/89/39/427818939.db2.gz QFNZMPJWEYCKMF-FZMZJTMJSA-N 1 1 323.368 2.663 20 5 DFBDMO CO[C@H](C)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000337241304 427822377 /nfs/dbraw/zinc/82/23/77/427822377.db2.gz FZBYIXZJNPJYEK-CYBMUJFWSA-N 1 1 323.393 2.669 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000339774148 427826555 /nfs/dbraw/zinc/82/65/55/427826555.db2.gz DVIVDOFLYIDBSA-INIZCTEOSA-N 1 1 320.389 2.865 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000339774148 427826556 /nfs/dbraw/zinc/82/65/56/427826556.db2.gz DVIVDOFLYIDBSA-INIZCTEOSA-N 1 1 320.389 2.865 20 5 DFBDMO CC(C)[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000339822363 427839269 /nfs/dbraw/zinc/83/92/69/427839269.db2.gz VYQPQVNJTJSEDB-HNNXBMFYSA-N 1 1 318.377 2.718 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000339822363 427839275 /nfs/dbraw/zinc/83/92/75/427839275.db2.gz VYQPQVNJTJSEDB-HNNXBMFYSA-N 1 1 318.377 2.718 20 5 DFBDMO C[C@@H](F)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000340470192 427856102 /nfs/dbraw/zinc/85/61/02/427856102.db2.gz NHNUGEOJKMDOHZ-BXUZGUMPSA-N 1 1 306.341 2.755 20 5 DFBDMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000302781523 427869003 /nfs/dbraw/zinc/86/90/03/427869003.db2.gz RWMPEZPUBNAOOJ-NSHDSACASA-N 1 1 315.320 2.727 20 5 DFBDMO COc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)ccn1 ZINC000340515888 427870252 /nfs/dbraw/zinc/87/02/52/427870252.db2.gz GMHNZGGVVWOIMB-NSHDSACASA-N 1 1 317.345 2.858 20 5 DFBDMO CC[N@@H+](C)[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000302784882 427870810 /nfs/dbraw/zinc/87/08/10/427870810.db2.gz UXZONKMAEVTCOE-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO COCC[N@H+]1CC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302786110 427871772 /nfs/dbraw/zinc/87/17/72/427871772.db2.gz VUPFXAUFAGSHDA-LLVKDONJSA-N 1 1 313.785 2.628 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359524826 427890473 /nfs/dbraw/zinc/89/04/73/427890473.db2.gz FSIDVQUCMJPAHS-CQSZACIVSA-N 1 1 323.368 2.680 20 5 DFBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000340055248 427915029 /nfs/dbraw/zinc/91/50/29/427915029.db2.gz UVXXEAMCQPVVIA-VXGBXAGGSA-N 1 1 323.368 2.727 20 5 DFBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000345936130 427956839 /nfs/dbraw/zinc/95/68/39/427956839.db2.gz BQIXIOONEIPMBB-VHSXEESVSA-N 1 1 311.407 2.519 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000345936130 427956843 /nfs/dbraw/zinc/95/68/43/427956843.db2.gz BQIXIOONEIPMBB-VHSXEESVSA-N 1 1 311.407 2.519 20 5 DFBDMO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341101499 427988760 /nfs/dbraw/zinc/98/87/60/427988760.db2.gz PQBZPFMJPNNQSG-GFCCVEGCSA-N 1 1 318.377 2.966 20 5 DFBDMO CC[N@@H+](CCOCCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000337487874 427929536 /nfs/dbraw/zinc/92/95/36/427929536.db2.gz UGRYAWZFSQVXTG-UHFFFAOYSA-N 1 1 310.394 2.549 20 5 DFBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355915892 427945498 /nfs/dbraw/zinc/94/54/98/427945498.db2.gz PYKTYKZDLMVMTB-OLZOCXBDSA-N 1 1 313.361 2.632 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347267369 272761581 /nfs/dbraw/zinc/76/15/81/272761581.db2.gz PWFGXGIFYDVWBF-JTQLQIEISA-N 1 1 312.345 2.586 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369550708 427996951 /nfs/dbraw/zinc/99/69/51/427996951.db2.gz MQNVCPZHIBNZKC-ZDUSSCGKSA-N 1 1 300.362 2.799 20 5 DFBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC=CCC2)c(C(F)(F)F)c1 ZINC000413267715 428007092 /nfs/dbraw/zinc/00/70/92/428007092.db2.gz NJIJASSXJMEKLZ-UHFFFAOYSA-N 1 1 316.283 2.682 20 5 DFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)[C@H](C)C1 ZINC000413281784 428010625 /nfs/dbraw/zinc/01/06/25/428010625.db2.gz NWBLYKGHBBGLOF-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369873618 428078757 /nfs/dbraw/zinc/07/87/57/428078757.db2.gz MIXCDTMNKFCFBO-NVXWUHKLSA-N 1 1 320.389 2.755 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000369873618 428078761 /nfs/dbraw/zinc/07/87/61/428078761.db2.gz MIXCDTMNKFCFBO-NVXWUHKLSA-N 1 1 320.389 2.755 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369873619 428080026 /nfs/dbraw/zinc/08/00/26/428080026.db2.gz MIXCDTMNKFCFBO-RDJZCZTQSA-N 1 1 320.389 2.755 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369873619 428080029 /nfs/dbraw/zinc/08/00/29/428080029.db2.gz MIXCDTMNKFCFBO-RDJZCZTQSA-N 1 1 320.389 2.755 20 5 DFBDMO CC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413571129 428083824 /nfs/dbraw/zinc/08/38/24/428083824.db2.gz PPRSTNOJABHOND-QMMMGPOBSA-N 1 1 304.272 2.515 20 5 DFBDMO C[C@@H](CO)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000351517624 428096689 /nfs/dbraw/zinc/09/66/89/428096689.db2.gz OQPVJOBNHNPDLB-ZDUSSCGKSA-N 1 1 308.378 2.599 20 5 DFBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cn1 ZINC000370006856 428108626 /nfs/dbraw/zinc/10/86/26/428108626.db2.gz INLKCJAWUSVHSR-GFCCVEGCSA-N 1 1 318.352 2.532 20 5 DFBDMO Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000377360595 428113420 /nfs/dbraw/zinc/11/34/20/428113420.db2.gz SDWICICQANSFJG-LSDHHAIUSA-N 1 1 317.389 2.602 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1c1ccccc1 ZINC000370046247 428118573 /nfs/dbraw/zinc/11/85/73/428118573.db2.gz QMRTWJXFOXXPKF-ZFWWWQNUSA-N 1 1 314.389 2.954 20 5 DFBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356314274 428120732 /nfs/dbraw/zinc/12/07/32/428120732.db2.gz PEYYZCAERKZTQA-UHFFFAOYSA-N 1 1 315.329 2.614 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000370049962 428121102 /nfs/dbraw/zinc/12/11/02/428121102.db2.gz MAFREXZLHCKZNH-IAQYHMDHSA-N 1 1 309.797 2.774 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000377395598 428121284 /nfs/dbraw/zinc/12/12/84/428121284.db2.gz FSQGHIQSNYJYBJ-DJIMGWMZSA-N 1 1 312.373 2.984 20 5 DFBDMO COc1cc(C[N@@H+](C)CCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000352545563 428144213 /nfs/dbraw/zinc/14/42/13/428144213.db2.gz KAYQTLRNFRXYDR-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556397 428148823 /nfs/dbraw/zinc/14/88/23/428148823.db2.gz ZHUCTXHAVVCEAJ-OAHLLOKOSA-N 1 1 321.421 2.767 20 5 DFBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)cc1OC(F)F ZINC000360092095 428159758 /nfs/dbraw/zinc/15/97/58/428159758.db2.gz CFUYUSZCHCQEBI-UHFFFAOYSA-N 1 1 313.304 2.870 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@H]1CCCCO1)CCO2 ZINC000352621570 428173281 /nfs/dbraw/zinc/17/32/81/428173281.db2.gz RCFOJDYZVHIBQR-OAHLLOKOSA-N 1 1 306.362 2.748 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[C@H]1CCCCO1)CCO2 ZINC000352621570 428173285 /nfs/dbraw/zinc/17/32/85/428173285.db2.gz RCFOJDYZVHIBQR-OAHLLOKOSA-N 1 1 306.362 2.748 20 5 DFBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000377628181 428176630 /nfs/dbraw/zinc/17/66/30/428176630.db2.gz NQIUUMWKAZVEKQ-MRXNPFEDSA-N 1 1 319.361 2.576 20 5 DFBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[C@@H]1O ZINC000352691355 428206297 /nfs/dbraw/zinc/20/62/97/428206297.db2.gz GJVMLMFKKUHPJN-GJZGRUSLSA-N 1 1 317.345 2.595 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352699833 428212491 /nfs/dbraw/zinc/21/24/91/428212491.db2.gz SGHCCDLDLRFECB-GJZGRUSLSA-N 1 1 308.378 2.727 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)C1CCCCC1)CCO2 ZINC000352709293 428215062 /nfs/dbraw/zinc/21/50/62/428215062.db2.gz ZZOGDOVJWBSAMC-INIZCTEOSA-N 1 1 320.389 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)C1CCCCC1)CCO2 ZINC000352709293 428215070 /nfs/dbraw/zinc/21/50/70/428215070.db2.gz ZZOGDOVJWBSAMC-INIZCTEOSA-N 1 1 320.389 2.730 20 5 DFBDMO CCOC1CC(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000352710114 428216223 /nfs/dbraw/zinc/21/62/23/428216223.db2.gz QBSHKPHCABCDOL-UHFFFAOYSA-N 1 1 306.362 2.604 20 5 DFBDMO CCOC1CC(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000352710114 428216225 /nfs/dbraw/zinc/21/62/25/428216225.db2.gz QBSHKPHCABCDOL-UHFFFAOYSA-N 1 1 306.362 2.604 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000377749486 428217462 /nfs/dbraw/zinc/21/74/62/428217462.db2.gz ZUCCXRUMIMKRHQ-KBRIMQKVSA-N 1 1 319.405 2.896 20 5 DFBDMO COc1cc(C[N@@H+](C)CCc2nccs2)ccc1[N+](=O)[O-] ZINC000352768552 428241099 /nfs/dbraw/zinc/24/10/99/428241099.db2.gz IWEHBBSMVCDYMA-UHFFFAOYSA-N 1 1 307.375 2.734 20 5 DFBDMO C[C@@H](NCc1ncc(C[NH+](C)C)s1)c1ccccc1[N+](=O)[O-] ZINC000352741250 428229636 /nfs/dbraw/zinc/22/96/36/428229636.db2.gz DMOITNXOAYEVHE-LLVKDONJSA-N 1 1 320.418 2.964 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1noc([C@H]2CCCc3[nH+]ccn32)n1 ZINC000377799615 428231822 /nfs/dbraw/zinc/23/18/22/428231822.db2.gz WWJHQPIAORSURG-GFCCVEGCSA-N 1 1 311.301 2.767 20 5 DFBDMO CCOc1cc(CN2CC[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352660884 428189599 /nfs/dbraw/zinc/18/95/99/428189599.db2.gz PVTTWZHLSNWAJZ-CYBMUJFWSA-N 1 1 307.394 2.520 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000346490665 428193218 /nfs/dbraw/zinc/19/32/18/428193218.db2.gz SZBGCQVAWHZDTP-STQMWFEESA-N 1 1 320.393 2.850 20 5 DFBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000377945633 428269123 /nfs/dbraw/zinc/26/91/23/428269123.db2.gz PVSKZOAPFULJRQ-WMLDXEAASA-N 1 1 314.389 2.917 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000352865905 428288336 /nfs/dbraw/zinc/28/83/36/428288336.db2.gz FNFJRRKHTMWKRK-HOCLYGCPSA-N 1 1 322.405 2.989 20 5 DFBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000352889398 428298831 /nfs/dbraw/zinc/29/88/31/428298831.db2.gz YLQHKXYHHFZLPP-LSDHHAIUSA-N 1 1 322.405 2.989 20 5 DFBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000356748957 428292801 /nfs/dbraw/zinc/29/28/01/428292801.db2.gz WZEVZYYMWJUYND-NSHDSACASA-N 1 1 319.361 2.800 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000352884266 428296300 /nfs/dbraw/zinc/29/63/00/428296300.db2.gz RORDGAXOKUZWJD-QWHCGFSZSA-N 1 1 320.393 2.850 20 5 DFBDMO C[N@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]2[C@H]1c1ccccc1 ZINC000377836663 428242177 /nfs/dbraw/zinc/24/21/77/428242177.db2.gz DDYWDUXXWFAZLZ-UWWQBHOKSA-N 1 1 324.384 2.729 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773688 428243518 /nfs/dbraw/zinc/24/35/18/428243518.db2.gz UFCHADOYMZORIJ-HIFRSBDPSA-N 1 1 321.421 2.766 20 5 DFBDMO COc1cc(C[N@H+](C)Cc2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000352781922 428246042 /nfs/dbraw/zinc/24/60/42/428246042.db2.gz BRQYYTMFDLKRBG-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO COc1cc(C[N@@H+](C)Cc2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000352781922 428246045 /nfs/dbraw/zinc/24/60/45/428246045.db2.gz BRQYYTMFDLKRBG-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000370621371 428255076 /nfs/dbraw/zinc/25/50/76/428255076.db2.gz DKNWAIULLQMACO-CQSZACIVSA-N 1 1 308.378 2.588 20 5 DFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000356790111 428309154 /nfs/dbraw/zinc/30/91/54/428309154.db2.gz GNAYJABOKCRZEH-VHSXEESVSA-N 1 1 315.320 2.725 20 5 DFBDMO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000370890843 428315140 /nfs/dbraw/zinc/31/51/40/428315140.db2.gz GUURWTPBCGVQQD-INIZCTEOSA-N 1 1 317.389 2.572 20 5 DFBDMO CCc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356805616 428315651 /nfs/dbraw/zinc/31/56/51/428315651.db2.gz MAERDMYIFQZXGS-GFCCVEGCSA-N 1 1 307.394 2.616 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)c(F)c1 ZINC000353017043 428351842 /nfs/dbraw/zinc/35/18/42/428351842.db2.gz BLSHHZXKGPOVSK-SECBINFHSA-N 1 1 304.268 2.795 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](COC(F)F)C2)c(F)c1 ZINC000353017043 428351846 /nfs/dbraw/zinc/35/18/46/428351846.db2.gz BLSHHZXKGPOVSK-SECBINFHSA-N 1 1 304.268 2.795 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000371065748 428352460 /nfs/dbraw/zinc/35/24/60/428352460.db2.gz QGBHPVYPBBNESM-HNNXBMFYSA-N 1 1 320.389 2.722 20 5 DFBDMO CN(Cc1c(F)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353171183 428414304 /nfs/dbraw/zinc/41/43/04/428414304.db2.gz SDJXAYLXQJAZJC-FUNVUKJBSA-N 1 1 307.369 2.791 20 5 DFBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000347003939 428404032 /nfs/dbraw/zinc/40/40/32/428404032.db2.gz ADSMZUWVXMYIIY-CABZTGNLSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000347003939 428404037 /nfs/dbraw/zinc/40/40/37/428404037.db2.gz ADSMZUWVXMYIIY-CABZTGNLSA-N 1 1 312.753 2.632 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000378352784 428374246 /nfs/dbraw/zinc/37/42/46/428374246.db2.gz XBEHUBBPHLMIEO-SEJWUHKESA-N 1 1 301.390 2.778 20 5 DFBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1(C)C ZINC000378368423 428380310 /nfs/dbraw/zinc/38/03/10/428380310.db2.gz HKMAUJKTJFSZBH-ZDUSSCGKSA-N 1 1 306.362 2.534 20 5 DFBDMO Cc1csc(NC(=O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000342283215 428382998 /nfs/dbraw/zinc/38/29/98/428382998.db2.gz PRGLBRJAYHYREW-SNVBAGLBSA-N 1 1 320.374 2.649 20 5 DFBDMO C[C@@H](NC(=O)[C@H]1CCCc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000353102665 428387491 /nfs/dbraw/zinc/38/74/91/428387491.db2.gz RWUIULIITYDKKH-BXUZGUMPSA-N 1 1 314.345 2.546 20 5 DFBDMO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347097816 428444595 /nfs/dbraw/zinc/44/45/95/428444595.db2.gz KFJAQGAQGPNOJL-GFCCVEGCSA-N 1 1 301.346 2.635 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000378514336 428417512 /nfs/dbraw/zinc/41/75/12/428417512.db2.gz AZEJJCHMHHJDPJ-KRWDZBQOSA-N 1 1 316.332 2.827 20 5 DFBDMO C[N@@H+](CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)C1CCCCC1 ZINC000357190285 428425912 /nfs/dbraw/zinc/42/59/12/428425912.db2.gz VYNWQSMCCHDZKN-UHFFFAOYSA-N 1 1 317.393 2.569 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000360959093 428510880 /nfs/dbraw/zinc/51/08/80/428510880.db2.gz FCRQIJAAKIICAW-RYUDHWBXSA-N 1 1 309.414 2.652 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000347256403 428515379 /nfs/dbraw/zinc/51/53/79/428515379.db2.gz GVDHOZCMPBWGMS-GHMZBOCLSA-N 1 1 324.356 2.680 20 5 DFBDMO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000353389818 428517146 /nfs/dbraw/zinc/51/71/46/428517146.db2.gz XIDMWOKZLDBQKX-RBSFLKMASA-N 1 1 319.405 2.566 20 5 DFBDMO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000353389818 428517151 /nfs/dbraw/zinc/51/71/51/428517151.db2.gz XIDMWOKZLDBQKX-RBSFLKMASA-N 1 1 319.405 2.566 20 5 DFBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000357585603 428547464 /nfs/dbraw/zinc/54/74/64/428547464.db2.gz QQJCTVDSHRPREG-LLVKDONJSA-N 1 1 323.780 2.523 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000357581580 428548793 /nfs/dbraw/zinc/54/87/93/428548793.db2.gz MWSDMWKGZNDLOK-LBPRGKRZSA-N 1 1 302.378 3.284 20 5 DFBDMO CC[N@@H+](CCC(=O)OC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347331513 428549579 /nfs/dbraw/zinc/54/95/79/428549579.db2.gz FKDSMBCLKCSYPN-JLHYYAGUSA-N 1 1 306.362 2.883 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CC(c2ccccc2)C1 ZINC000361329795 428557451 /nfs/dbraw/zinc/55/74/51/428557451.db2.gz AGAPBBBMKMOIPO-UHFFFAOYSA-N 1 1 300.362 2.706 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CC(c2ccccc2)C1 ZINC000361329795 428557457 /nfs/dbraw/zinc/55/74/57/428557457.db2.gz AGAPBBBMKMOIPO-UHFFFAOYSA-N 1 1 300.362 2.706 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000361377113 428563380 /nfs/dbraw/zinc/56/33/80/428563380.db2.gz IIYTYCLWRKJABC-ZBFHGGJFSA-N 1 1 317.389 2.684 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000408147643 428609183 /nfs/dbraw/zinc/60/91/83/428609183.db2.gz HBXPFWBAWVUOPP-QWHCGFSZSA-N 1 1 320.393 2.768 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347578504 428609240 /nfs/dbraw/zinc/60/92/40/428609240.db2.gz ICSVFLRITAPLGK-UPJWGTAASA-N 1 1 305.378 2.900 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000344031797 428612255 /nfs/dbraw/zinc/61/22/55/428612255.db2.gz CYRXAZCIZZHRSQ-GOEBONIOSA-N 1 1 320.389 2.623 20 5 DFBDMO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000373606634 428617754 /nfs/dbraw/zinc/61/77/54/428617754.db2.gz DWZQLIIQSTVKBZ-KRWDZBQOSA-N 1 1 320.389 2.755 20 5 DFBDMO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000373606634 428617760 /nfs/dbraw/zinc/61/77/60/428617760.db2.gz DWZQLIIQSTVKBZ-KRWDZBQOSA-N 1 1 320.389 2.755 20 5 DFBDMO COCC[N@@H+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000102198236 274023609 /nfs/dbraw/zinc/02/36/09/274023609.db2.gz CJLHRNDRUVMHHT-UHFFFAOYSA-N 1 1 321.299 2.604 20 5 DFBDMO C[C@@H]1CCC[N@H+]1C1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302015032 274292825 /nfs/dbraw/zinc/29/28/25/274292825.db2.gz BWEDTTJZNANTJH-CYBMUJFWSA-N 1 1 319.405 2.540 20 5 DFBDMO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1CO ZINC000294738147 274302403 /nfs/dbraw/zinc/30/24/03/274302403.db2.gz WRFRRPVXIDFAAB-NOZJJQNGSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1CO ZINC000294738147 274302406 /nfs/dbraw/zinc/30/24/06/274302406.db2.gz WRFRRPVXIDFAAB-NOZJJQNGSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072897655 274313895 /nfs/dbraw/zinc/31/38/95/274313895.db2.gz GLLAFBICCXBBHW-QWHCGFSZSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C[N@H+]1C ZINC000408434813 274364617 /nfs/dbraw/zinc/36/46/17/274364617.db2.gz IRQLRXCBSCMPKV-NEPJUHHUSA-N 1 1 300.362 2.672 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC000348314372 428704347 /nfs/dbraw/zinc/70/43/47/428704347.db2.gz BBCHCBIYOYWDEO-KCQAQPDRSA-N 1 1 318.352 2.898 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H](F)C[C@H]3CO)o2)c1 ZINC000344825042 428708190 /nfs/dbraw/zinc/70/81/90/428708190.db2.gz JKIBPZNMRPWQMF-JSGCOSHPSA-N 1 1 320.320 2.760 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H](F)C[C@H]3CO)o2)c1 ZINC000344825042 428708200 /nfs/dbraw/zinc/70/82/00/428708200.db2.gz JKIBPZNMRPWQMF-JSGCOSHPSA-N 1 1 320.320 2.760 20 5 DFBDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000374643139 428721145 /nfs/dbraw/zinc/72/11/45/428721145.db2.gz DZSRLMLPNWCMEL-MLGOLLRUSA-N 1 1 322.336 2.509 20 5 DFBDMO C[C@@H]1CC[C@H]1[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353800527 428722260 /nfs/dbraw/zinc/72/22/60/428722260.db2.gz CVUDDAOSZBADMC-KCPJHIHWSA-N 1 1 300.362 2.806 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353910993 428775049 /nfs/dbraw/zinc/77/50/49/428775049.db2.gz FFWRPUMHACJZHM-WCQYABFASA-N 1 1 320.393 2.761 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000353913392 428775577 /nfs/dbraw/zinc/77/55/77/428775577.db2.gz MKPXPKNUXXEFHU-GFCCVEGCSA-N 1 1 320.393 2.715 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374913735 428784293 /nfs/dbraw/zinc/78/42/93/428784293.db2.gz OEQOVFFGSPCLLQ-CVEARBPZSA-N 1 1 307.369 2.793 20 5 DFBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000362526951 428787621 /nfs/dbraw/zinc/78/76/21/428787621.db2.gz WXVUUUQKXGYZOZ-KJJQSCHISA-N 1 1 319.405 2.843 20 5 DFBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000362526951 428787626 /nfs/dbraw/zinc/78/76/26/428787626.db2.gz WXVUUUQKXGYZOZ-KJJQSCHISA-N 1 1 319.405 2.843 20 5 DFBDMO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000353948010 428789338 /nfs/dbraw/zinc/78/93/38/428789338.db2.gz QTUXXEBZGFQHMG-UHFFFAOYSA-N 1 1 319.405 2.751 20 5 DFBDMO C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000353948010 428789345 /nfs/dbraw/zinc/78/93/45/428789345.db2.gz QTUXXEBZGFQHMG-UHFFFAOYSA-N 1 1 319.405 2.751 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000358955987 428747569 /nfs/dbraw/zinc/74/75/69/428747569.db2.gz RTXGSOQNKLRDIP-XQQFMLRXSA-N 1 1 323.441 2.898 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1F ZINC000374774122 428748021 /nfs/dbraw/zinc/74/80/21/428748021.db2.gz AHPSXOSUUFPBCI-IJEWVQPXSA-N 1 1 319.380 2.650 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375293750 428845898 /nfs/dbraw/zinc/84/58/98/428845898.db2.gz SNNLAIQMRABZLB-INIZCTEOSA-N 1 1 306.362 2.606 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000375051579 428796937 /nfs/dbraw/zinc/79/69/37/428796937.db2.gz WWCUEUSSCSZXLH-LRDDRELGSA-N 1 1 312.373 2.673 20 5 DFBDMO COC[C@@H]1CCCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000375108753 428801532 /nfs/dbraw/zinc/80/15/32/428801532.db2.gz YZAVOCMROLMRLH-CYBMUJFWSA-N 1 1 308.378 2.852 20 5 DFBDMO O=C(CCn1c[nH+]c2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411769416 428856404 /nfs/dbraw/zinc/85/64/04/428856404.db2.gz ABHWASOSRJEKIV-UHFFFAOYSA-N 1 1 314.345 2.699 20 5 DFBDMO COc1cccc([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000363114908 428861356 /nfs/dbraw/zinc/86/13/56/428861356.db2.gz UZRPKZZULQUDMC-CQSZACIVSA-N 1 1 316.361 2.674 20 5 DFBDMO COc1cccc([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000363114908 428861358 /nfs/dbraw/zinc/86/13/58/428861358.db2.gz UZRPKZZULQUDMC-CQSZACIVSA-N 1 1 316.361 2.674 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@@H](n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000363199166 428880308 /nfs/dbraw/zinc/88/03/08/428880308.db2.gz PBVNIFRAYBUJMD-OAHLLOKOSA-N 1 1 300.362 2.937 20 5 DFBDMO Cc1c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000363307707 428901943 /nfs/dbraw/zinc/90/19/43/428901943.db2.gz VDFNGMSPZFRXDH-AWEZNQCLSA-N 1 1 314.389 2.701 20 5 DFBDMO Cc1c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000363307708 428902076 /nfs/dbraw/zinc/90/20/76/428902076.db2.gz VDFNGMSPZFRXDH-CQSZACIVSA-N 1 1 314.389 2.701 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412032211 428912847 /nfs/dbraw/zinc/91/28/47/428912847.db2.gz HLPMGWBPODPPGO-SWLSCSKDSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412032211 428912849 /nfs/dbraw/zinc/91/28/49/428912849.db2.gz HLPMGWBPODPPGO-SWLSCSKDSA-N 1 1 308.378 2.585 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203203 428914508 /nfs/dbraw/zinc/91/45/08/428914508.db2.gz ALQLZXFZAWHYLG-HOCLYGCPSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203203 428914534 /nfs/dbraw/zinc/91/45/34/428914534.db2.gz ALQLZXFZAWHYLG-HOCLYGCPSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203203 428914541 /nfs/dbraw/zinc/91/45/41/428914541.db2.gz ALQLZXFZAWHYLG-HOCLYGCPSA-N 1 1 321.421 2.778 20 5 DFBDMO C[C@H]1CC(C)(C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000412040189 428921574 /nfs/dbraw/zinc/92/15/74/428921574.db2.gz KKGRVICHCKXJEJ-LBPRGKRZSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000412038672 428921969 /nfs/dbraw/zinc/92/19/69/428921969.db2.gz YADJMQRGBRFYEN-SKDRFNHKSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000412038672 428921975 /nfs/dbraw/zinc/92/19/75/428921975.db2.gz YADJMQRGBRFYEN-SKDRFNHKSA-N 1 1 318.295 2.816 20 5 DFBDMO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261966028 274710453 /nfs/dbraw/zinc/71/04/53/274710453.db2.gz YKLDOHRMPBAXFB-WFASDCNBSA-N 1 1 312.373 2.640 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC(C)(C)C[C@H]1C ZINC000412049439 428928598 /nfs/dbraw/zinc/92/85/98/428928598.db2.gz WNCBHQGDNDOYCU-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412049439 428928603 /nfs/dbraw/zinc/92/86/03/428928603.db2.gz WNCBHQGDNDOYCU-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412050401 428928976 /nfs/dbraw/zinc/92/89/76/428928976.db2.gz YLZGNNSDNFHVGM-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)C[C@H]1C ZINC000412050401 428928982 /nfs/dbraw/zinc/92/89/82/428928982.db2.gz YLZGNNSDNFHVGM-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO O=[N+]([O-])c1ccccc1Cc1noc([C@H]2CCC[N@@H+]2C2CC2)n1 ZINC000345540518 428930167 /nfs/dbraw/zinc/93/01/67/428930167.db2.gz MAEXXQWXWQRCLG-CQSZACIVSA-N 1 1 314.345 2.868 20 5 DFBDMO O=[N+]([O-])c1ccccc1Cc1noc([C@H]2CCC[N@H+]2C2CC2)n1 ZINC000345540518 428930177 /nfs/dbraw/zinc/93/01/77/428930177.db2.gz MAEXXQWXWQRCLG-CQSZACIVSA-N 1 1 314.345 2.868 20 5 DFBDMO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000363522989 428934643 /nfs/dbraw/zinc/93/46/43/428934643.db2.gz QVVRMECFTCIHOE-HNNXBMFYSA-N 1 1 317.389 2.572 20 5 DFBDMO O=[N+]([O-])c1ccc2nc(N3CCC[N@H+]4CCC[C@H]4C3)ccc2c1 ZINC000363621345 428954778 /nfs/dbraw/zinc/95/47/78/428954778.db2.gz ATIITVMOUQZHAG-HNNXBMFYSA-N 1 1 312.373 2.818 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000451913536 429019200 /nfs/dbraw/zinc/01/92/00/429019200.db2.gz SUGYKSMDVNUBHR-DGCLKSJQSA-N 1 1 318.295 2.648 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000421748536 429025946 /nfs/dbraw/zinc/02/59/46/429025946.db2.gz GCGXBRAISFMIKC-GFCCVEGCSA-N 1 1 319.405 2.673 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)n1 ZINC000451971718 429029860 /nfs/dbraw/zinc/02/98/60/429029860.db2.gz NLVUVEPRRKVPLZ-CQSZACIVSA-N 1 1 322.315 2.907 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)n1 ZINC000451971718 429029864 /nfs/dbraw/zinc/02/98/64/429029864.db2.gz NLVUVEPRRKVPLZ-CQSZACIVSA-N 1 1 322.315 2.907 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000421790774 429031691 /nfs/dbraw/zinc/03/16/91/429031691.db2.gz YOGYORIIFGJAEL-QWHCGFSZSA-N 1 1 317.389 2.567 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000421790773 429032000 /nfs/dbraw/zinc/03/20/00/429032000.db2.gz YOGYORIIFGJAEL-OLZOCXBDSA-N 1 1 317.389 2.567 20 5 DFBDMO Cc1cccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000375798205 428978904 /nfs/dbraw/zinc/97/89/04/428978904.db2.gz WEVODSQJDGNKAQ-KBPBESRZSA-N 1 1 317.389 2.602 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451807314 428981906 /nfs/dbraw/zinc/98/19/06/428981906.db2.gz HLGBIOMXCPLANP-CQSZACIVSA-N 1 1 308.378 2.586 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000349404152 428982231 /nfs/dbraw/zinc/98/22/31/428982231.db2.gz FIMBWTLRXZIWED-AGEOTTOMSA-N 1 1 318.295 2.853 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000349404152 428982236 /nfs/dbraw/zinc/98/22/36/428982236.db2.gz FIMBWTLRXZIWED-AGEOTTOMSA-N 1 1 318.295 2.853 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000451807724 428983949 /nfs/dbraw/zinc/98/39/49/428983949.db2.gz IBRZXZQAUJMKRP-ZDUSSCGKSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451869690 429001315 /nfs/dbraw/zinc/00/13/15/429001315.db2.gz SDYWKJJLTWEEOH-JKSUJKDBSA-N 1 1 320.389 2.993 20 5 DFBDMO COC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000452092195 429055236 /nfs/dbraw/zinc/05/52/36/429055236.db2.gz UDKXQANVGJASCS-GFCCVEGCSA-N 1 1 319.361 2.985 20 5 DFBDMO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382770 429076389 /nfs/dbraw/zinc/07/63/89/429076389.db2.gz PCQJUGOTWJJBHR-MAZHCROVSA-N 1 1 303.406 2.646 20 5 DFBDMO COc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000363957273 429147311 /nfs/dbraw/zinc/14/73/11/429147311.db2.gz FADRCJSWMNXBQC-WDEREUQCSA-N 1 1 309.341 2.781 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435584316 429151278 /nfs/dbraw/zinc/15/12/78/429151278.db2.gz LCGNRWMDBYHXJC-HNNXBMFYSA-N 1 1 318.421 3.507 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1NCc1c[nH+]c2n1CCCC2 ZINC000376472197 429119382 /nfs/dbraw/zinc/11/93/82/429119382.db2.gz CIQBOQXUENGMSW-UHFFFAOYSA-N 1 1 316.361 2.886 20 5 DFBDMO C[C@@H]1CCC[N@H+]1C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376487101 429119649 /nfs/dbraw/zinc/11/96/49/429119649.db2.gz VDWCXTKPBNULMC-GFCCVEGCSA-N 1 1 304.394 2.630 20 5 DFBDMO COc1cccc(NCc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000376484798 429121185 /nfs/dbraw/zinc/12/11/85/429121185.db2.gz BBBCTRSNOKBNKK-UHFFFAOYSA-N 1 1 302.334 2.748 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000424350853 429130133 /nfs/dbraw/zinc/13/01/33/429130133.db2.gz MXRSJSKCKGTADJ-FQLMCAECSA-N 1 1 312.373 2.806 20 5 DFBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413054019 429130135 /nfs/dbraw/zinc/13/01/35/429130135.db2.gz MCFDUVBQNMRRGV-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363874801 429132218 /nfs/dbraw/zinc/13/22/18/429132218.db2.gz JFQPAJQPVHCYEJ-KBAYOESNSA-N 1 1 315.417 2.819 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413088389 429135475 /nfs/dbraw/zinc/13/54/75/429135475.db2.gz ULPISVVREDXRTN-SECBINFHSA-N 1 1 318.299 2.903 20 5 DFBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487154763 429137356 /nfs/dbraw/zinc/13/73/56/429137356.db2.gz HYAJRJDXPSSBAJ-RNCFNFMXSA-N 1 1 317.311 2.653 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000246219753 275036616 /nfs/dbraw/zinc/03/66/16/275036616.db2.gz YOZQTPWQKXWOFH-NSHDSACASA-N 1 1 315.295 2.898 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000278356207 275037524 /nfs/dbraw/zinc/03/75/24/275037524.db2.gz CNBVNCWDQMHVBD-SNVBAGLBSA-N 1 1 312.333 2.578 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@H]3Cc4ccccc43)C2)c1 ZINC000367868151 275042060 /nfs/dbraw/zinc/04/20/60/275042060.db2.gz ANSBBSXXXQTXAR-HUUCEWRRSA-N 1 1 312.373 2.768 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487936363 429174815 /nfs/dbraw/zinc/17/48/15/429174815.db2.gz WADWJROBVZWYME-ZDUSSCGKSA-N 1 1 314.389 2.851 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000364330142 429183487 /nfs/dbraw/zinc/18/34/87/429183487.db2.gz URYGOYSPKBMTRK-AWEZNQCLSA-N 1 1 316.361 2.637 20 5 DFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488745553 429196053 /nfs/dbraw/zinc/19/60/53/429196053.db2.gz LIRHVKLOANRROG-XUJVJEKNSA-N 1 1 307.369 2.900 20 5 DFBDMO CC[C@]1(O)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000495226106 429190183 /nfs/dbraw/zinc/19/01/83/429190183.db2.gz BOCGTDNPUDDZKG-INIZCTEOSA-N 1 1 317.345 2.597 20 5 DFBDMO CC[C@@]1(O)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000495226108 429191208 /nfs/dbraw/zinc/19/12/08/429191208.db2.gz BOCGTDNPUDDZKG-MRXNPFEDSA-N 1 1 317.345 2.597 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364383682 429194505 /nfs/dbraw/zinc/19/45/05/429194505.db2.gz VLTZPAYZOKQOQY-UHFFFAOYSA-N 1 1 314.345 2.577 20 5 DFBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488745552 429195245 /nfs/dbraw/zinc/19/52/45/429195245.db2.gz LIRHVKLOANRROG-TYNCELHUSA-N 1 1 307.369 2.900 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364617838 429234186 /nfs/dbraw/zinc/23/41/86/429234186.db2.gz BQCWOVIRFUEIIM-APHBMKBZSA-N 1 1 320.389 2.719 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3nccc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000425290049 429258915 /nfs/dbraw/zinc/25/89/15/429258915.db2.gz WRGIAPZLMDEPBH-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000365437301 429318746 /nfs/dbraw/zinc/31/87/46/429318746.db2.gz LXMSPKOYASBMPM-CHWSQXEVSA-N 1 1 323.780 2.605 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000501812628 429328256 /nfs/dbraw/zinc/32/82/56/429328256.db2.gz HPTGHTDXSLIWBZ-OLZOCXBDSA-N 1 1 308.378 2.960 20 5 DFBDMO CCN1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104233 429333789 /nfs/dbraw/zinc/33/37/89/429333789.db2.gz FHBHCMWKBNFGHD-CABCVRRESA-N 1 1 305.422 2.847 20 5 DFBDMO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](C)O ZINC000425454989 429301129 /nfs/dbraw/zinc/30/11/29/429301129.db2.gz FPTMYJMLRQHHGN-VIFPVBQESA-N 1 1 317.183 2.560 20 5 DFBDMO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000425473959 429305187 /nfs/dbraw/zinc/30/51/87/429305187.db2.gz IZWAUEJKFANOSV-VIFPVBQESA-N 1 1 317.183 2.560 20 5 DFBDMO COCC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426511051 429397489 /nfs/dbraw/zinc/39/74/89/429397489.db2.gz YEBWNHBDQUPXJC-IDKBZEPQSA-N 1 1 320.389 2.735 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000426504815 429398523 /nfs/dbraw/zinc/39/85/23/429398523.db2.gz PUDHVVCJEPQZJH-HOFZKYPUSA-N 1 1 302.374 2.845 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000517955772 429407609 /nfs/dbraw/zinc/40/76/09/429407609.db2.gz CSYIXFKKNNMFDO-ZDUSSCGKSA-N 1 1 305.378 2.506 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000449193120 429354637 /nfs/dbraw/zinc/35/46/37/429354637.db2.gz QOJCCCYXFQNJMX-BXUZGUMPSA-N 1 1 300.362 2.916 20 5 DFBDMO CCCN1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449219483 429361809 /nfs/dbraw/zinc/36/18/09/429361809.db2.gz NGXFCAYPCDWCRI-CQSZACIVSA-N 1 1 305.422 2.990 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491531920 429371131 /nfs/dbraw/zinc/37/11/31/429371131.db2.gz IPILDMWKJMPEIM-VFFGBVLKSA-N 1 1 323.368 2.594 20 5 DFBDMO CC1(C)CCC[N@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000457056416 429389057 /nfs/dbraw/zinc/38/90/57/429389057.db2.gz NVJGHANWAQWZRA-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO Cc1cccc(NCCNc2ccc3cc([N+](=O)[O-])ccc3n2)[nH+]1 ZINC000427416067 429449731 /nfs/dbraw/zinc/44/97/31/429449731.db2.gz VAIQMQNKEAQQCV-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000518286161 429416608 /nfs/dbraw/zinc/41/66/08/429416608.db2.gz KFOHIHSYDHVDRN-UHFFFAOYSA-N 1 1 323.368 2.680 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000428457738 429525609 /nfs/dbraw/zinc/52/56/09/429525609.db2.gz MZSILEQJTJUKPM-YPMHNXCESA-N 1 1 306.362 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000366618324 429487714 /nfs/dbraw/zinc/48/77/14/429487714.db2.gz DTPGBMMLNUDJSN-BBRMVZONSA-N 1 1 319.405 2.520 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCSC[C@H]1C1CC1 ZINC000520340786 429509493 /nfs/dbraw/zinc/50/94/93/429509493.db2.gz BVUKBJFJYBOSFG-AWEZNQCLSA-N 1 1 308.403 2.801 20 5 DFBDMO COc1cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000429251185 429590023 /nfs/dbraw/zinc/59/00/23/429590023.db2.gz CAOPQQGJEOHXRT-HNNXBMFYSA-N 1 1 320.389 2.852 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492661052 429587936 /nfs/dbraw/zinc/58/79/36/429587936.db2.gz ZZCSLBIEHQQTBK-LSDHHAIUSA-N 1 1 320.389 2.994 20 5 DFBDMO C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429594127 429621462 /nfs/dbraw/zinc/62/14/62/429621462.db2.gz XEPLVXSUARFNLC-DOMZBBRYSA-N 1 1 305.378 2.678 20 5 DFBDMO CC(C)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000450478222 429638054 /nfs/dbraw/zinc/63/80/54/429638054.db2.gz DYMUUTPZGYXCQL-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO CC(=O)c1cc(N2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000367435022 429648788 /nfs/dbraw/zinc/64/87/88/429648788.db2.gz LJMFNJPAULYUBG-UHFFFAOYSA-N 1 1 317.389 2.862 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000367453059 429650510 /nfs/dbraw/zinc/65/05/10/429650510.db2.gz XVTKNTRRDCDLHE-CABCVRRESA-N 1 1 306.362 2.747 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429373948 429604144 /nfs/dbraw/zinc/60/41/44/429604144.db2.gz BAVIVXOJEKRXIO-GJZGRUSLSA-N 1 1 306.362 2.614 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2CCO)c(Cl)c1 ZINC000450606990 429660264 /nfs/dbraw/zinc/66/02/64/429660264.db2.gz AXWGDUMPOPRXDA-GFCCVEGCSA-N 1 1 313.785 2.507 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCc1ccccc1O ZINC000430203925 429662373 /nfs/dbraw/zinc/66/23/73/429662373.db2.gz PSLUQVVIJULEJW-UHFFFAOYSA-N 1 1 316.357 2.984 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCC(CO)CC1 ZINC000430212675 429663260 /nfs/dbraw/zinc/66/32/60/429663260.db2.gz PFSZEQSOINLYHL-UHFFFAOYSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000430216309 429663750 /nfs/dbraw/zinc/66/37/50/429663750.db2.gz FDSUEPAJUBDWDY-OAHLLOKOSA-N 1 1 321.421 2.910 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000430219070 429664143 /nfs/dbraw/zinc/66/41/43/429664143.db2.gz KQELNPUBSLOWCI-GJZGRUSLSA-N 1 1 322.405 2.832 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367625174 429689767 /nfs/dbraw/zinc/68/97/67/429689767.db2.gz XDCZQXYRPQYVAC-BZUAXINKSA-N 1 1 319.405 2.566 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CC[C@H](C)C1 ZINC000526053225 429697913 /nfs/dbraw/zinc/69/79/13/429697913.db2.gz ZGLIZODSIHXVJA-GWQWUEFDSA-N 1 1 303.406 2.930 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CC[C@H](C)C1 ZINC000526053225 429697917 /nfs/dbraw/zinc/69/79/17/429697917.db2.gz ZGLIZODSIHXVJA-GWQWUEFDSA-N 1 1 303.406 2.930 20 5 DFBDMO CCOc1cccc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000292809927 276381466 /nfs/dbraw/zinc/38/14/66/276381466.db2.gz OAVBXVMDJALPGP-QGZVFWFLSA-N 1 1 319.405 2.916 20 5 DFBDMO CC(=O)c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000367713086 429704761 /nfs/dbraw/zinc/70/47/61/429704761.db2.gz PSJOHRHUZSMNOB-ZIAGYGMSSA-N 1 1 303.362 2.836 20 5 DFBDMO CC(=O)c1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000367713085 429705313 /nfs/dbraw/zinc/70/53/13/429705313.db2.gz PSJOHRHUZSMNOB-UONOGXRCSA-N 1 1 303.362 2.836 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493366115 429746348 /nfs/dbraw/zinc/74/63/48/429746348.db2.gz RQIWZZGAKOTPGI-CQSZACIVSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493366115 429746352 /nfs/dbraw/zinc/74/63/52/429746352.db2.gz RQIWZZGAKOTPGI-CQSZACIVSA-N 1 1 312.753 2.633 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)o1 ZINC000367775339 429715629 /nfs/dbraw/zinc/71/56/29/429715629.db2.gz BJDXXPKMPMRPHJ-FICVDOATSA-N 1 1 314.341 2.525 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000368323331 429829548 /nfs/dbraw/zinc/82/95/48/429829548.db2.gz GTPBKSCFCAUDQX-MRXNPFEDSA-N 1 1 300.362 2.937 20 5 DFBDMO CCOCC[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543155 429848505 /nfs/dbraw/zinc/84/85/05/429848505.db2.gz BAIYRUVQOKQDTI-WBVHZDCISA-N 1 1 322.405 2.562 20 5 DFBDMO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545959 429850637 /nfs/dbraw/zinc/85/06/37/429850637.db2.gz IGJFWOPXUDMUMB-GOEBONIOSA-N 1 1 318.373 2.726 20 5 DFBDMO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545959 429850639 /nfs/dbraw/zinc/85/06/39/429850639.db2.gz IGJFWOPXUDMUMB-GOEBONIOSA-N 1 1 318.373 2.726 20 5 DFBDMO C/C(=C\c1ccccc1)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000494273285 429864430 /nfs/dbraw/zinc/86/44/30/429864430.db2.gz GVURJQCIHSCMKX-GXDHUFHOSA-N 1 1 300.362 2.827 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000368694098 429888701 /nfs/dbraw/zinc/88/87/01/429888701.db2.gz KVXRVMIKGSMPDG-CYBMUJFWSA-N 1 1 321.768 2.504 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000368694098 429888702 /nfs/dbraw/zinc/88/87/02/429888702.db2.gz KVXRVMIKGSMPDG-CYBMUJFWSA-N 1 1 321.768 2.504 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000369320724 429923697 /nfs/dbraw/zinc/92/36/97/429923697.db2.gz ANGXEUOLRLIWSJ-ZDUSSCGKSA-N 1 1 317.389 2.650 20 5 DFBDMO Cn1cc([C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000559641048 430012204 /nfs/dbraw/zinc/01/22/04/430012204.db2.gz VFUQVXBJAUGUOW-OAHLLOKOSA-N 1 1 314.389 2.954 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574146700 430014046 /nfs/dbraw/zinc/01/40/46/430014046.db2.gz FKQHKTUFMBGDQQ-CZUORRHYSA-N 1 1 319.405 2.689 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000560193663 430025381 /nfs/dbraw/zinc/02/53/81/430025381.db2.gz ZTVVLDVUWONTLL-ZDUSSCGKSA-N 1 1 314.389 3.285 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000121772776 277069974 /nfs/dbraw/zinc/06/99/74/277069974.db2.gz VGOXQSLDJIZSFC-YGRLFVJLSA-N 1 1 311.332 2.794 20 5 DFBDMO C[N@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]2[C@H]1c1ccccc1 ZINC000377836662 277199420 /nfs/dbraw/zinc/19/94/20/277199420.db2.gz DDYWDUXXWFAZLZ-QGPMSJSTSA-N 1 1 324.384 2.729 20 5 DFBDMO COCCOC[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245519096 277232037 /nfs/dbraw/zinc/23/20/37/277232037.db2.gz IHVBBMRCKAPGNR-LSDHHAIUSA-N 1 1 322.405 2.949 20 5 DFBDMO COCCOC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266577066 277232426 /nfs/dbraw/zinc/23/24/26/277232426.db2.gz GHUVNLLVTANVSS-ZIAGYGMSSA-N 1 1 308.378 2.641 20 5 DFBDMO C[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000581349380 430199566 /nfs/dbraw/zinc/19/95/66/430199566.db2.gz ZGPGBQMEDNGDKZ-LBPRGKRZSA-N 1 1 307.394 2.912 20 5 DFBDMO COC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000133707225 277389114 /nfs/dbraw/zinc/38/91/14/277389114.db2.gz ROCBXLBSUOLTCY-JTQLQIEISA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000133707225 277389115 /nfs/dbraw/zinc/38/91/15/277389115.db2.gz ROCBXLBSUOLTCY-JTQLQIEISA-N 1 1 312.753 2.633 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000581499524 430215854 /nfs/dbraw/zinc/21/58/54/430215854.db2.gz IXXYHDVQIQJQOV-CHWSQXEVSA-N 1 1 305.378 2.524 20 5 DFBDMO COc1ccc(C)cc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000542552999 430218014 /nfs/dbraw/zinc/21/80/14/430218014.db2.gz BVWJHPIILYBVAB-UHFFFAOYSA-N 1 1 313.357 2.865 20 5 DFBDMO COc1ccc(C)cc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000542552999 430218019 /nfs/dbraw/zinc/21/80/19/430218019.db2.gz BVWJHPIILYBVAB-UHFFFAOYSA-N 1 1 313.357 2.865 20 5 DFBDMO CCCC[C@@H](C(=O)OC)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000569005906 430414752 /nfs/dbraw/zinc/41/47/52/430414752.db2.gz JUTFRJNLKBHOER-HNNXBMFYSA-N 1 1 308.378 2.801 20 5 DFBDMO CCCC[C@@H](C(=O)OC)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000569005906 430414755 /nfs/dbraw/zinc/41/47/55/430414755.db2.gz JUTFRJNLKBHOER-HNNXBMFYSA-N 1 1 308.378 2.801 20 5 DFBDMO O=[N+]([O-])c1cccnc1N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548006061 430437828 /nfs/dbraw/zinc/43/78/28/430437828.db2.gz WVQVBTJVAIOZNW-LBPRGKRZSA-N 1 1 313.361 2.517 20 5 DFBDMO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000548023065 430440273 /nfs/dbraw/zinc/44/02/73/430440273.db2.gz IDRRZBDQIUFPPW-AWEZNQCLSA-N 1 1 323.418 2.632 20 5 DFBDMO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000548023065 430440275 /nfs/dbraw/zinc/44/02/75/430440275.db2.gz IDRRZBDQIUFPPW-AWEZNQCLSA-N 1 1 323.418 2.632 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000569487825 430459744 /nfs/dbraw/zinc/45/97/44/430459744.db2.gz XEJOZZCVUIMOEG-WMHVBEDNSA-N 1 1 320.414 2.816 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000569487825 430459747 /nfs/dbraw/zinc/45/97/47/430459747.db2.gz XEJOZZCVUIMOEG-WMHVBEDNSA-N 1 1 320.414 2.816 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000588549026 430483710 /nfs/dbraw/zinc/48/37/10/430483710.db2.gz SQHRINRLFCHJNB-QQNRWZHASA-N 1 1 312.373 2.969 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)C1CC1 ZINC000571290554 430617951 /nfs/dbraw/zinc/61/79/51/430617951.db2.gz ZBTANTWHESRHHK-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)C(C)(C)C1 ZINC000556085322 430678018 /nfs/dbraw/zinc/67/80/18/430678018.db2.gz UWVINDLPLYAIMZ-UHFFFAOYSA-N 1 1 321.421 2.908 20 5 DFBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000192522070 278242557 /nfs/dbraw/zinc/24/25/57/278242557.db2.gz RNCSUABBFVTZAA-NSHDSACASA-N 1 1 306.391 2.984 20 5 DFBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000365941975 279095355 /nfs/dbraw/zinc/09/53/55/279095355.db2.gz MOHHYAKXERXMJN-OCCSQVGLSA-N 1 1 300.362 2.706 20 5 DFBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000365941973 280120650 /nfs/dbraw/zinc/12/06/50/280120650.db2.gz MOHHYAKXERXMJN-GXTWGEPZSA-N 1 1 300.362 2.706 20 5 DFBDMO Cc1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000368660966 280341406 /nfs/dbraw/zinc/34/14/06/280341406.db2.gz WXZYTAKCUDOUDH-ZFWWWQNUSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000289863061 281018265 /nfs/dbraw/zinc/01/82/65/281018265.db2.gz LHMNCZFZNVBVGA-GFCCVEGCSA-N 1 1 308.382 2.753 20 5 DFBDMO Cc1cccc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302495429 281224721 /nfs/dbraw/zinc/22/47/21/281224721.db2.gz LYHVRUZNNJXHGI-AWEZNQCLSA-N 1 1 319.405 2.593 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000373077613 281256914 /nfs/dbraw/zinc/25/69/14/281256914.db2.gz CMSFEBYYLAPINO-ZIAGYGMSSA-N 1 1 317.389 2.602 20 5 DFBDMO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153696888 289055865 /nfs/dbraw/zinc/05/58/65/289055865.db2.gz QVRKODYGVFRXGD-KBPBESRZSA-N 1 1 321.421 2.986 20 5 DFBDMO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000153696888 289055871 /nfs/dbraw/zinc/05/58/71/289055871.db2.gz QVRKODYGVFRXGD-KBPBESRZSA-N 1 1 321.421 2.986 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000153761991 289059778 /nfs/dbraw/zinc/05/97/78/289059778.db2.gz HZEVPHYIGICIOV-UHFFFAOYSA-N 1 1 316.361 2.570 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363413677 289090627 /nfs/dbraw/zinc/09/06/27/289090627.db2.gz FZJUQAVTFYPEEK-PVAVHDDUSA-N 1 1 301.390 2.511 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000373059429 294418010 /nfs/dbraw/zinc/41/80/10/294418010.db2.gz QATZLZFXPOWXIU-LLVKDONJSA-N 1 1 304.325 2.851 20 5 DFBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000154290540 295296544 /nfs/dbraw/zinc/29/65/44/295296544.db2.gz VLNTUUADEMHDHQ-CQSZACIVSA-N 1 1 319.405 2.835 20 5 DFBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000154290652 295296630 /nfs/dbraw/zinc/29/66/30/295296630.db2.gz VLNTUUADEMHDHQ-AWEZNQCLSA-N 1 1 319.405 2.835 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000411823332 295561019 /nfs/dbraw/zinc/56/10/19/295561019.db2.gz CTOLHAXACQGLDV-UHFFFAOYSA-N 1 1 316.336 2.904 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438492835 297095332 /nfs/dbraw/zinc/09/53/32/297095332.db2.gz USRGOQPQRPZHDO-CYBMUJFWSA-N 1 1 305.378 2.820 20 5 DFBDMO CC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000441499142 297184969 /nfs/dbraw/zinc/18/49/69/297184969.db2.gz GSQDRILYZBKCTR-LSDHHAIUSA-N 1 1 321.421 2.698 20 5 DFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000443346840 297219876 /nfs/dbraw/zinc/21/98/76/297219876.db2.gz WUDFDCDERDHHCU-CKEIUWERSA-N 1 1 322.405 2.845 20 5 DFBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cncc(F)c1 ZINC000444671709 297244203 /nfs/dbraw/zinc/24/42/03/297244203.db2.gz DKBLJHZWGMPZNI-VIFPVBQESA-N 1 1 315.308 2.856 20 5 DFBDMO CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000444750089 297248422 /nfs/dbraw/zinc/24/84/22/297248422.db2.gz XOSUIXKULAOQDC-LSDHHAIUSA-N 1 1 322.405 2.703 20 5 DFBDMO CCC[N@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000445231391 297261131 /nfs/dbraw/zinc/26/11/31/297261131.db2.gz BWUXFDBUKBFKJU-UHFFFAOYSA-N 1 1 304.350 2.719 20 5 DFBDMO CCC[N@@H+](C)Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000445231391 297261132 /nfs/dbraw/zinc/26/11/32/297261132.db2.gz BWUXFDBUKBFKJU-UHFFFAOYSA-N 1 1 304.350 2.719 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447692671 297313545 /nfs/dbraw/zinc/31/35/45/297313545.db2.gz HJVANRIPKISEPT-QMTHXVAHSA-N 1 1 303.366 2.612 20 5 DFBDMO COc1nccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000453266606 298078489 /nfs/dbraw/zinc/07/84/89/298078489.db2.gz ZEAXVEMDRSGKRV-OAHLLOKOSA-N 1 1 314.345 2.561 20 5 DFBDMO CCc1ccc([C@@H]([NH2+][C@H]2C[C@@H](O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453354994 298086472 /nfs/dbraw/zinc/08/64/72/298086472.db2.gz HEAMQQLBZRIYME-QEORTHHSSA-N 1 1 316.357 2.953 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000454151870 298127604 /nfs/dbraw/zinc/12/76/04/298127604.db2.gz STVGTMUIZZPIQI-YHWZYXNKSA-N 1 1 318.377 2.650 20 5 DFBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000454267508 298146651 /nfs/dbraw/zinc/14/66/51/298146651.db2.gz YQRYVGCMOJXPJB-GFCCVEGCSA-N 1 1 318.377 2.543 20 5 DFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000267594123 300220560 /nfs/dbraw/zinc/22/05/60/300220560.db2.gz IPADETSOCKPMBZ-SWLSCSKDSA-N 1 1 314.389 2.919 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2ccccc21 ZINC000530864831 301069704 /nfs/dbraw/zinc/06/97/04/301069704.db2.gz HTFJOQVIRDMYEY-INIZCTEOSA-N 1 1 300.362 2.801 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000531104772 301079415 /nfs/dbraw/zinc/07/94/15/301079415.db2.gz ZSSPHANNHJWZGH-KBPBESRZSA-N 1 1 314.389 2.954 20 5 DFBDMO CCOc1ccc([C@H](C)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000536625686 301283466 /nfs/dbraw/zinc/28/34/66/301283466.db2.gz YGYUZRPLLAFTOU-KBPBESRZSA-N 1 1 321.421 2.986 20 5 DFBDMO CCOc1ccc([C@H](C)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000536625686 301283467 /nfs/dbraw/zinc/28/34/67/301283467.db2.gz YGYUZRPLLAFTOU-KBPBESRZSA-N 1 1 321.421 2.986 20 5 DFBDMO CCn1cc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000539828037 301350956 /nfs/dbraw/zinc/35/09/56/301350956.db2.gz CPXORVCVPSKYJN-SOFGYWHQSA-N 1 1 300.362 2.956 20 5 DFBDMO CCn1cc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000539828037 301350957 /nfs/dbraw/zinc/35/09/57/301350957.db2.gz CPXORVCVPSKYJN-SOFGYWHQSA-N 1 1 300.362 2.956 20 5 DFBDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000563841159 302102151 /nfs/dbraw/zinc/10/21/51/302102151.db2.gz JYCAEQHWTHWAAP-CYBMUJFWSA-N 1 1 319.405 2.994 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000567796986 302389768 /nfs/dbraw/zinc/38/97/68/302389768.db2.gz KYWVAYIKSLYKDL-OAHLLOKOSA-N 1 1 313.357 2.988 20 5 DFBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000182666084 316112312 /nfs/dbraw/zinc/11/23/12/316112312.db2.gz KAZKMSFYKZHQMJ-GFCCVEGCSA-N 1 1 324.377 2.767 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000316584026 316246207 /nfs/dbraw/zinc/24/62/07/316246207.db2.gz RMIXHPOVNVQAGB-NSHDSACASA-N 1 1 303.366 2.613 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000446486488 317012853 /nfs/dbraw/zinc/01/28/53/317012853.db2.gz WGMKHSGENXJUHI-BXUZGUMPSA-N 1 1 306.366 2.507 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488103098 317367943 /nfs/dbraw/zinc/36/79/43/317367943.db2.gz XVGLNCPDKLARRW-GFCCVEGCSA-N 1 1 323.356 2.870 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488112900 317368364 /nfs/dbraw/zinc/36/83/64/317368364.db2.gz IYTNHHICJBZGRH-CYBMUJFWSA-N 1 1 314.389 2.709 20 5 DFBDMO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2ccccn21 ZINC000567178711 317956509 /nfs/dbraw/zinc/95/65/09/317956509.db2.gz NUCCJZDSQHIXNN-FZMZJTMJSA-N 1 1 323.356 2.976 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000574623410 318028451 /nfs/dbraw/zinc/02/84/51/318028451.db2.gz POIQZSNGCNZJKX-HNNXBMFYSA-N 1 1 320.389 2.722 20 5 DFBDMO C[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000576296043 318117001 /nfs/dbraw/zinc/11/70/01/318117001.db2.gz ZECYIBYIUQJKLH-UONOGXRCSA-N 1 1 319.405 2.689 20 5 DFBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000576587991 318136497 /nfs/dbraw/zinc/13/64/97/318136497.db2.gz LCKBBQNISFBUTG-LBPRGKRZSA-N 1 1 314.345 2.609 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000576717616 318146063 /nfs/dbraw/zinc/14/60/63/318146063.db2.gz KFRJEIMIGIGGIT-CYBMUJFWSA-N 1 1 307.394 2.993 20 5 DFBDMO C[C@@H]1CCC[N@H+](CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578667110 318277147 /nfs/dbraw/zinc/27/71/47/318277147.db2.gz GZIYJUSMBTVDLV-CZUORRHYSA-N 1 1 303.406 2.904 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578667110 318277149 /nfs/dbraw/zinc/27/71/49/318277149.db2.gz GZIYJUSMBTVDLV-CZUORRHYSA-N 1 1 303.406 2.904 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578844006 318288803 /nfs/dbraw/zinc/28/88/03/318288803.db2.gz GJPBUHLEQZICMV-YPMHNXCESA-N 1 1 315.377 2.534 20 5 DFBDMO CC(C)c1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000189756631 323226305 /nfs/dbraw/zinc/22/63/05/323226305.db2.gz LICFFAGLAWAPLI-CYBMUJFWSA-N 1 1 319.405 2.790 20 5 DFBDMO Cc1cc(F)c(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296764001 533811417 /nfs/dbraw/zinc/81/14/17/533811417.db2.gz ORNMGOAJPQQKTH-PHIMTYICSA-N 1 1 324.356 2.599 20 5 DFBDMO COC(=O)c1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)oc1C ZINC000323364148 533821692 /nfs/dbraw/zinc/82/16/92/533821692.db2.gz LMTNMLGDSKYEDQ-UHFFFAOYSA-N 1 1 318.329 2.881 20 5 DFBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000292361581 533883673 /nfs/dbraw/zinc/88/36/73/533883673.db2.gz LSYVMJPDCYVCJC-CYBMUJFWSA-N 1 1 317.389 2.541 20 5 DFBDMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000299724015 534144474 /nfs/dbraw/zinc/14/44/74/534144474.db2.gz TXVOWDNCVVIGFM-NSHDSACASA-N 1 1 315.329 2.627 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000302084868 534245390 /nfs/dbraw/zinc/24/53/90/534245390.db2.gz KIIDYNZCJHCQKZ-LBPRGKRZSA-N 1 1 321.377 2.668 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000302123443 534245479 /nfs/dbraw/zinc/24/54/79/534245479.db2.gz YVXAWTPSOAMISW-LBPRGKRZSA-N 1 1 321.377 2.525 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434495459 518195450 /nfs/dbraw/zinc/19/54/50/518195450.db2.gz VYPXDEDFBIAWLX-UHFFFAOYSA-N 1 1 318.352 2.789 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000248880909 519782074 /nfs/dbraw/zinc/78/20/74/519782074.db2.gz DFBLYXDZOOMCJF-DOMZBBRYSA-N 1 1 308.378 2.585 20 5 DFBDMO Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000297338374 534498891 /nfs/dbraw/zinc/49/88/91/534498891.db2.gz ASGODLPKLOLYHU-DZGCQCFKSA-N 1 1 313.361 2.551 20 5 DFBDMO CCOc1cc(CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000365192474 520699947 /nfs/dbraw/zinc/69/99/47/520699947.db2.gz WRZWJGPQQIVMMQ-GOEBONIOSA-N 1 1 319.405 2.520 20 5 DFBDMO CC(C)(C)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000331325276 526677759 /nfs/dbraw/zinc/67/77/59/526677759.db2.gz OAXYGERPLVGTCG-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)(C)[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000331325276 526677763 /nfs/dbraw/zinc/67/77/63/526677763.db2.gz OAXYGERPLVGTCG-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO Cc1sc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000157347030 526872050 /nfs/dbraw/zinc/87/20/50/526872050.db2.gz DZSCEVQCFLLKOB-NWDGAFQWSA-N 1 1 323.418 2.521 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1F ZINC000364961803 527348732 /nfs/dbraw/zinc/34/87/32/527348732.db2.gz JHBWUMUXGYSBCT-UHFFFAOYSA-N 1 1 304.325 2.837 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3CCc4[nH+]ccn4C3)n2)c1 ZINC000364263042 527382903 /nfs/dbraw/zinc/38/29/03/527382903.db2.gz BXEPCJUHZHSDDA-NSHDSACASA-N 1 1 311.301 2.571 20 5 DFBDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365649836 527467875 /nfs/dbraw/zinc/46/78/75/527467875.db2.gz PSUUXTNEEALTDE-LBPRGKRZSA-N 1 1 318.352 2.847 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000299141717 528338957 /nfs/dbraw/zinc/33/89/57/528338957.db2.gz YHDZUUDYZJDQNR-UHFFFAOYSA-N 1 1 323.393 2.772 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000298122768 528400899 /nfs/dbraw/zinc/40/08/99/528400899.db2.gz MYCSODGWUHVRCI-UHFFFAOYSA-N 1 1 309.366 2.662 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301507254 529004841 /nfs/dbraw/zinc/00/48/41/529004841.db2.gz AEQMYMRYNPUVSN-CYBMUJFWSA-N 1 1 321.377 2.668 20 5 DFBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000299370661 529024855 /nfs/dbraw/zinc/02/48/55/529024855.db2.gz KWMPPHURTOCVOP-LLVKDONJSA-N 1 1 311.407 2.507 20 5 DFBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331736859 529337688 /nfs/dbraw/zinc/33/76/88/529337688.db2.gz VJQRORWWJYKCBQ-TZMCWYRMSA-N 1 1 317.389 2.747 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000361470683 536419600 /nfs/dbraw/zinc/41/96/00/536419600.db2.gz UTASGBSVVINRKF-UONOGXRCSA-N 1 1 322.405 2.845 20 5 DFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245669540 536470903 /nfs/dbraw/zinc/47/09/03/536470903.db2.gz CGEXYKPDMSBPTQ-SWLSCSKDSA-N 1 1 318.377 2.543 20 5 DFBDMO COC(=O)[C@H](C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000355319289 536607413 /nfs/dbraw/zinc/60/74/13/536607413.db2.gz TXIKVVDJEQNLAJ-SCXUMTSISA-N 1 1 318.373 2.882 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459246587 299066290 /nfs/dbraw/zinc/06/62/90/299066290.db2.gz CFTUFSGSLCTEKH-ZDUSSCGKSA-N 1 1 320.393 2.757 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC12CCC2 ZINC000081562711 398358016 /nfs/dbraw/zinc/35/80/16/398358016.db2.gz PWXXCBRYWUDUAN-UHFFFAOYSA-N 1 1 319.361 2.560 20 5 DFBDMO COc1cc(NCCc2c[nH+]cn2C)c(Cl)cc1[N+](=O)[O-] ZINC000596190021 398352136 /nfs/dbraw/zinc/35/21/36/398352136.db2.gz OSWPHLWGXZJXMI-UHFFFAOYSA-N 1 1 310.741 2.645 20 5 DFBDMO COc1cc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])cc1C ZINC000596200397 398355264 /nfs/dbraw/zinc/35/52/64/398355264.db2.gz LDXTVIYRHWXPHG-NSHDSACASA-N 1 1 302.334 2.535 20 5 DFBDMO CC[C@@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295807999 529504790 /nfs/dbraw/zinc/50/47/90/529504790.db2.gz WOZWZYYQKVIMCQ-JTQLQIEISA-N 1 1 306.284 2.816 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000081633800 398364677 /nfs/dbraw/zinc/36/46/77/398364677.db2.gz YINFQDSOLIKEEY-ZDUSSCGKSA-N 1 1 309.435 2.820 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007785801 398364891 /nfs/dbraw/zinc/36/48/91/398364891.db2.gz CQYJNEHADASMIU-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007785801 398364895 /nfs/dbraw/zinc/36/48/95/398364895.db2.gz CQYJNEHADASMIU-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO CC(C)OCC[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000081650894 398365353 /nfs/dbraw/zinc/36/53/53/398365353.db2.gz GSCNMCZYZZTCGI-OAHLLOKOSA-N 1 1 321.421 2.698 20 5 DFBDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007880515 398367164 /nfs/dbraw/zinc/36/71/64/398367164.db2.gz TTZFMXXHASNSIG-UHFFFAOYSA-N 1 1 313.357 2.586 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCSCC2)cccc1[N+](=O)[O-] ZINC000089983080 185274179 /nfs/dbraw/zinc/27/41/79/185274179.db2.gz IODXNJKVYCWVQL-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCSCC2)cccc1[N+](=O)[O-] ZINC000089983080 185274180 /nfs/dbraw/zinc/27/41/80/185274180.db2.gz IODXNJKVYCWVQL-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000596306856 398381669 /nfs/dbraw/zinc/38/16/69/398381669.db2.gz IUOVRCLNWPENTR-LBPRGKRZSA-N 1 1 321.377 2.666 20 5 DFBDMO CNC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000012331515 398385663 /nfs/dbraw/zinc/38/56/63/398385663.db2.gz ZIWQTPSBXXXZND-UHFFFAOYSA-N 1 1 313.357 2.586 20 5 DFBDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000012331515 398385667 /nfs/dbraw/zinc/38/56/67/398385667.db2.gz ZIWQTPSBXXXZND-UHFFFAOYSA-N 1 1 313.357 2.586 20 5 DFBDMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092510076 185323461 /nfs/dbraw/zinc/32/34/61/185323461.db2.gz JCMDKWPOJNAHSN-HNNXBMFYSA-N 1 1 319.405 2.736 20 5 DFBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092510076 185323462 /nfs/dbraw/zinc/32/34/62/185323462.db2.gz JCMDKWPOJNAHSN-HNNXBMFYSA-N 1 1 319.405 2.736 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000092967453 185350647 /nfs/dbraw/zinc/35/06/47/185350647.db2.gz PDSZQYPRELCSOV-OAHLLOKOSA-N 1 1 300.362 2.937 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1ccncc1 ZINC000181443608 199297506 /nfs/dbraw/zinc/29/75/06/199297506.db2.gz FFFCULMTLCMMLH-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO O=[N+]([O-])c1cnccc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000066808377 398400003 /nfs/dbraw/zinc/40/00/03/398400003.db2.gz GWQKQTWQLWEZDD-UHFFFAOYSA-N 1 1 312.373 2.850 20 5 DFBDMO Cc1c(NC(=O)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000016444906 398400059 /nfs/dbraw/zinc/40/00/59/398400059.db2.gz ODBVHKACSPHHLU-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO Cc1c(NC(=O)C[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000016444906 398400063 /nfs/dbraw/zinc/40/00/63/398400063.db2.gz ODBVHKACSPHHLU-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO CC(C)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000181555126 199316421 /nfs/dbraw/zinc/31/64/21/199316421.db2.gz PWXKTSDDIBBWQH-AWEZNQCLSA-N 1 1 310.394 2.701 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000097024538 185398692 /nfs/dbraw/zinc/39/86/92/185398692.db2.gz FBSZPKHKSBWVIT-HNNXBMFYSA-N 1 1 307.394 2.672 20 5 DFBDMO CCOc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596427342 398409865 /nfs/dbraw/zinc/40/98/65/398409865.db2.gz FVRYEUBAMOOOPB-CHWSQXEVSA-N 1 1 323.393 2.515 20 5 DFBDMO CCOc1cc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596427342 398409869 /nfs/dbraw/zinc/40/98/69/398409869.db2.gz FVRYEUBAMOOOPB-CHWSQXEVSA-N 1 1 323.393 2.515 20 5 DFBDMO COc1ccc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000085791951 398417817 /nfs/dbraw/zinc/41/78/17/398417817.db2.gz QYGTUZJPOLONLE-UHFFFAOYSA-N 1 1 317.345 2.639 20 5 DFBDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000085791951 398417819 /nfs/dbraw/zinc/41/78/19/398417819.db2.gz QYGTUZJPOLONLE-UHFFFAOYSA-N 1 1 317.345 2.639 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000255367162 398424690 /nfs/dbraw/zinc/42/46/90/398424690.db2.gz SIZNCXGRBSWQQG-IJFMQLDHSA-N 1 1 320.414 2.814 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C2CC2)CC1 ZINC000067384055 398432703 /nfs/dbraw/zinc/43/27/03/398432703.db2.gz FAKYKYMDBDYGIS-UHFFFAOYSA-N 1 1 315.295 2.898 20 5 DFBDMO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000286709992 219123581 /nfs/dbraw/zinc/12/35/81/219123581.db2.gz FNTYFYOUPISAEF-CYBMUJFWSA-N 1 1 306.391 2.936 20 5 DFBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000286709992 219123583 /nfs/dbraw/zinc/12/35/83/219123583.db2.gz FNTYFYOUPISAEF-CYBMUJFWSA-N 1 1 306.391 2.936 20 5 DFBDMO Cc1ccnc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558307 398447314 /nfs/dbraw/zinc/44/73/14/398447314.db2.gz QDPKPZPYRWOEQO-HNNXBMFYSA-N 1 1 312.373 2.985 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596570718 398449883 /nfs/dbraw/zinc/44/98/83/398449883.db2.gz NAOVZOZOBGOLKY-LBPRGKRZSA-N 1 1 308.357 2.663 20 5 DFBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302180066 530061270 /nfs/dbraw/zinc/06/12/70/530061270.db2.gz ZBZCZYLUHNMCAO-SNVBAGLBSA-N 1 1 315.320 2.950 20 5 DFBDMO C[N@H+](Cc1ccsc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026715691 398455575 /nfs/dbraw/zinc/45/55/75/398455575.db2.gz PFPNPPLAHOWGES-AWEZNQCLSA-N 1 1 322.386 2.528 20 5 DFBDMO Cc1c(C[NH+]2CCC(O)(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000089969418 398472483 /nfs/dbraw/zinc/47/24/83/398472483.db2.gz FVMMXWNFTFXAGO-UHFFFAOYSA-N 1 1 318.295 2.792 20 5 DFBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000046444493 282377409 /nfs/dbraw/zinc/37/74/09/282377409.db2.gz YETUORADAWNFEC-INIZCTEOSA-N 1 1 322.405 2.989 20 5 DFBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000592752465 398480587 /nfs/dbraw/zinc/48/05/87/398480587.db2.gz MEJNBEYBIFCKDN-GFCCVEGCSA-N 1 1 316.361 2.621 20 5 DFBDMO C[N@@H+](Cc1ccccc1)C1CN(c2sccc2[N+](=O)[O-])C1 ZINC000588072465 398480001 /nfs/dbraw/zinc/48/00/01/398480001.db2.gz BFCBPNMFZPLUHH-UHFFFAOYSA-N 1 1 303.387 2.977 20 5 DFBDMO O=[N+]([O-])c1cccnc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029831291 398492485 /nfs/dbraw/zinc/49/24/85/398492485.db2.gz IIYJIJPSBJKLHW-UHFFFAOYSA-N 1 1 323.356 2.889 20 5 DFBDMO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000030142038 398496431 /nfs/dbraw/zinc/49/64/31/398496431.db2.gz AJIALQOROAAEMU-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000030142038 398496434 /nfs/dbraw/zinc/49/64/34/398496434.db2.gz AJIALQOROAAEMU-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593013669 398520247 /nfs/dbraw/zinc/52/02/47/398520247.db2.gz RGOSGJLNFSECQE-OAHLLOKOSA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593013669 398520251 /nfs/dbraw/zinc/52/02/51/398520251.db2.gz RGOSGJLNFSECQE-OAHLLOKOSA-N 1 1 319.405 2.532 20 5 DFBDMO Cc1sc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000068779623 398526450 /nfs/dbraw/zinc/52/64/50/398526450.db2.gz XESDBPYICHTFAS-UHFFFAOYSA-N 1 1 311.407 2.521 20 5 DFBDMO COc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000091479998 398532899 /nfs/dbraw/zinc/53/28/99/398532899.db2.gz ZERVFDBUDNSHBR-JTQLQIEISA-N 1 1 320.324 2.850 20 5 DFBDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000032732199 398537364 /nfs/dbraw/zinc/53/73/64/398537364.db2.gz WNBIVZKEOPZBAK-KBPBESRZSA-N 1 1 319.405 2.896 20 5 DFBDMO O=C([C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000068959707 398540890 /nfs/dbraw/zinc/54/08/90/398540890.db2.gz NPEKCUUIRAPWOR-MRXNPFEDSA-N 1 1 317.389 2.572 20 5 DFBDMO O=C([C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000068959707 398540893 /nfs/dbraw/zinc/54/08/93/398540893.db2.gz NPEKCUUIRAPWOR-MRXNPFEDSA-N 1 1 317.389 2.572 20 5 DFBDMO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000319405373 398542451 /nfs/dbraw/zinc/54/24/51/398542451.db2.gz COLMBIUEYFFQPR-MRXNPFEDSA-N 1 1 304.321 2.731 20 5 DFBDMO CCC[C@@]1(CO)CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000444782786 297250843 /nfs/dbraw/zinc/25/08/43/297250843.db2.gz KQYPXDXZSZZAPW-INIZCTEOSA-N 1 1 308.378 2.601 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000320588836 398548754 /nfs/dbraw/zinc/54/87/54/398548754.db2.gz OEYKXJHAAFWSSP-NSHDSACASA-N 1 1 309.366 2.522 20 5 DFBDMO C[C@@H]1C[C@H]1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272581784 210000970 /nfs/dbraw/zinc/00/09/70/210000970.db2.gz YGVCQKIBEWLRKR-ZLDLUXBVSA-N 1 1 300.362 2.663 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1 ZINC000589502050 398556985 /nfs/dbraw/zinc/55/69/85/398556985.db2.gz GRKYFSSCTXPXHT-NWDGAFQWSA-N 1 1 306.362 2.859 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC(C)=C(C)C2)c1 ZINC000589515677 398558445 /nfs/dbraw/zinc/55/84/45/398558445.db2.gz YSPITCXXAXAJMY-UHFFFAOYSA-N 1 1 304.346 2.924 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC(C)=C(C)C2)c1 ZINC000589515677 398558449 /nfs/dbraw/zinc/55/84/49/398558449.db2.gz YSPITCXXAXAJMY-UHFFFAOYSA-N 1 1 304.346 2.924 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)CC(C)C ZINC000593203860 398571473 /nfs/dbraw/zinc/57/14/73/398571473.db2.gz ISPQPSGJQKHJHK-UHFFFAOYSA-N 1 1 307.394 2.611 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCCC1 ZINC000041895722 398575657 /nfs/dbraw/zinc/57/56/57/398575657.db2.gz LPXXCZOZPMZQES-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO Cc1ccc(NC(=O)N2CCC[N@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000069612120 398577249 /nfs/dbraw/zinc/57/72/49/398577249.db2.gz STJJROQSZOJIAH-UHFFFAOYSA-N 1 1 320.393 2.851 20 5 DFBDMO Cc1c(NC(=O)N2CCC[N@H+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000069615738 398578532 /nfs/dbraw/zinc/57/85/32/398578532.db2.gz CJMKPKJDEKZXKL-UHFFFAOYSA-N 1 1 320.393 2.851 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000279936502 215252257 /nfs/dbraw/zinc/25/22/57/215252257.db2.gz XBJUGICNOSJGKP-ZFWWWQNUSA-N 1 1 308.378 2.599 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000070791793 398600316 /nfs/dbraw/zinc/60/03/16/398600316.db2.gz NPHRZIQYMWNKJN-NSHDSACASA-N 1 1 323.422 2.980 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H](CO)C3)cs2)c1 ZINC000092763151 398600395 /nfs/dbraw/zinc/60/03/95/398600395.db2.gz DCAHMMASEKIDHB-LLVKDONJSA-N 1 1 319.386 2.533 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](CO)C3)cs2)c1 ZINC000092763151 398600396 /nfs/dbraw/zinc/60/03/96/398600396.db2.gz DCAHMMASEKIDHB-LLVKDONJSA-N 1 1 319.386 2.533 20 5 DFBDMO COC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000133717862 186009869 /nfs/dbraw/zinc/00/98/69/186009869.db2.gz GAXAMTYVKSTQQU-NSHDSACASA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000133717862 186009870 /nfs/dbraw/zinc/00/98/70/186009870.db2.gz GAXAMTYVKSTQQU-NSHDSACASA-N 1 1 312.753 2.633 20 5 DFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)C1CC1 ZINC000590161234 398602255 /nfs/dbraw/zinc/60/22/55/398602255.db2.gz MOSKKFTXDGJMOL-CYBMUJFWSA-N 1 1 318.295 2.816 20 5 DFBDMO CSCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000138241814 186014965 /nfs/dbraw/zinc/01/49/65/186014965.db2.gz NPOPKKIOQZTEKN-LLVKDONJSA-N 1 1 311.407 2.525 20 5 DFBDMO CSCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000138241814 186014967 /nfs/dbraw/zinc/01/49/67/186014967.db2.gz NPOPKKIOQZTEKN-LLVKDONJSA-N 1 1 311.407 2.525 20 5 DFBDMO CSCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000138241929 186015261 /nfs/dbraw/zinc/01/52/61/186015261.db2.gz NPOPKKIOQZTEKN-NSHDSACASA-N 1 1 311.407 2.525 20 5 DFBDMO CSCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000138241929 186015263 /nfs/dbraw/zinc/01/52/63/186015263.db2.gz NPOPKKIOQZTEKN-NSHDSACASA-N 1 1 311.407 2.525 20 5 DFBDMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000043084410 398612130 /nfs/dbraw/zinc/61/21/30/398612130.db2.gz IZJDYDOSOCDTGC-UONOGXRCSA-N 1 1 319.405 2.896 20 5 DFBDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000459694150 299166141 /nfs/dbraw/zinc/16/61/41/299166141.db2.gz DEHAUYBLLYJRPJ-ZFWWWQNUSA-N 1 1 318.373 2.604 20 5 DFBDMO CCC(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072579281 398623404 /nfs/dbraw/zinc/62/34/04/398623404.db2.gz FGGYGCRDPJLPHZ-CYBMUJFWSA-N 1 1 305.378 2.600 20 5 DFBDMO CCC(=O)N1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072579281 398623409 /nfs/dbraw/zinc/62/34/09/398623409.db2.gz FGGYGCRDPJLPHZ-CYBMUJFWSA-N 1 1 305.378 2.600 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152756838 186099233 /nfs/dbraw/zinc/09/92/33/186099233.db2.gz LOFFZIVYFXCFCG-ZYHUDNBSSA-N 1 1 323.780 2.557 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465788 398637445 /nfs/dbraw/zinc/63/74/45/398637445.db2.gz SXGNTEWGWNNEGD-MEDUHNTESA-N 1 1 300.362 2.895 20 5 DFBDMO C[C@@H](O)CC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093481115 398639977 /nfs/dbraw/zinc/63/99/77/398639977.db2.gz CVPHAXPXJIWDOQ-LLVKDONJSA-N 1 1 321.402 2.921 20 5 DFBDMO C[C@@H](O)CC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093481115 398639979 /nfs/dbraw/zinc/63/99/79/398639979.db2.gz CVPHAXPXJIWDOQ-LLVKDONJSA-N 1 1 321.402 2.921 20 5 DFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177868088 186196304 /nfs/dbraw/zinc/19/63/04/186196304.db2.gz UWDFGOFJVCOZNV-WDEREUQCSA-N 1 1 302.334 2.875 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3ccnc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000593477602 398640933 /nfs/dbraw/zinc/64/09/33/398640933.db2.gz DRKPFJYUKUFOBG-YVEFUNNKSA-N 1 1 312.373 2.673 20 5 DFBDMO CC(C)(O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000189954344 186254851 /nfs/dbraw/zinc/25/48/51/186254851.db2.gz IAVYLWWYZIQHGL-UHFFFAOYSA-N 1 1 308.378 2.599 20 5 DFBDMO Cc1ccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000093870123 398648368 /nfs/dbraw/zinc/64/83/68/398648368.db2.gz LDCDTQVUKNTNAQ-HNNXBMFYSA-N 1 1 314.389 2.701 20 5 DFBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CCc2c[nH+]cn2C1 ZINC000590702873 398655059 /nfs/dbraw/zinc/65/50/59/398655059.db2.gz RYNODQUQXBQVRF-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000414842578 295825295 /nfs/dbraw/zinc/82/52/95/295825295.db2.gz ITKICPWPQQZHNQ-NUEKZKHPSA-N 1 1 303.406 2.648 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000597603533 398667524 /nfs/dbraw/zinc/66/75/24/398667524.db2.gz DHBFQPNYCHUGDC-UKRRQHHQSA-N 1 1 319.405 2.641 20 5 DFBDMO CCc1noc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000590757347 398668001 /nfs/dbraw/zinc/66/80/01/398668001.db2.gz KXCODXCGGUZKFL-ZDUSSCGKSA-N 1 1 316.361 2.920 20 5 DFBDMO CCc1noc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000590757347 398668004 /nfs/dbraw/zinc/66/80/04/398668004.db2.gz KXCODXCGGUZKFL-ZDUSSCGKSA-N 1 1 316.361 2.920 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(C)C)C1CC1 ZINC000072559772 191193876 /nfs/dbraw/zinc/19/38/76/191193876.db2.gz CVKFQYGJJBSOBI-UHFFFAOYSA-N 1 1 305.378 2.962 20 5 DFBDMO [NH3+]CCC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCCC1 ZINC000593727533 398678076 /nfs/dbraw/zinc/67/80/76/398678076.db2.gz OZXKXDWTMVINKU-UHFFFAOYSA-N 1 1 307.394 2.641 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000590830552 398683697 /nfs/dbraw/zinc/68/36/97/398683697.db2.gz PFIUCOPITMSPTL-ZDUSSCGKSA-N 1 1 320.393 2.770 20 5 DFBDMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000174180167 198303092 /nfs/dbraw/zinc/30/30/92/198303092.db2.gz GIFUHYCMIVVVLA-AGUYFDCRSA-N 1 1 318.377 2.732 20 5 DFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000073800207 398702134 /nfs/dbraw/zinc/70/21/34/398702134.db2.gz KDQQUCYXMXCESA-JTQLQIEISA-N 1 1 302.334 2.875 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597859986 398706234 /nfs/dbraw/zinc/70/62/34/398706234.db2.gz JEZUDNMYLVJZCB-LBPRGKRZSA-N 1 1 305.378 2.506 20 5 DFBDMO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597861715 398706352 /nfs/dbraw/zinc/70/63/52/398706352.db2.gz WAVBPMAXFRETMD-IUODEOHRSA-N 1 1 319.405 2.687 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000597859778 398706516 /nfs/dbraw/zinc/70/65/16/398706516.db2.gz XRIYDHTXSAAZNY-OAHLLOKOSA-N 1 1 319.405 2.516 20 5 DFBDMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174822994 198389562 /nfs/dbraw/zinc/38/95/62/198389562.db2.gz CNVWRUDAERGDEZ-JTQLQIEISA-N 1 1 310.304 2.763 20 5 DFBDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174822994 198389563 /nfs/dbraw/zinc/38/95/63/198389563.db2.gz CNVWRUDAERGDEZ-JTQLQIEISA-N 1 1 310.304 2.763 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108494629 398710789 /nfs/dbraw/zinc/71/07/89/398710789.db2.gz FMDGUARDWIREEE-ZDUSSCGKSA-N 1 1 318.377 2.509 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108494596 398711562 /nfs/dbraw/zinc/71/15/62/398711562.db2.gz QIXJVUHYKIBCKV-CQSZACIVSA-N 1 1 318.377 2.509 20 5 DFBDMO COc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000277046820 213261148 /nfs/dbraw/zinc/26/11/48/213261148.db2.gz PUZZNRIPNXADBE-WCQYABFASA-N 1 1 323.368 2.663 20 5 DFBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597923672 398721763 /nfs/dbraw/zinc/72/17/63/398721763.db2.gz OCWGLQHBEMNAMV-CQSZACIVSA-N 1 1 319.405 2.760 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c(F)c1 ZINC000332476201 235011352 /nfs/dbraw/zinc/01/13/52/235011352.db2.gz VEGVFTCTQNCLKY-UHFFFAOYSA-N 1 1 304.325 2.837 20 5 DFBDMO Cc1sc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594201003 398764370 /nfs/dbraw/zinc/76/43/70/398764370.db2.gz MGRISQJINMCNFH-NWDGAFQWSA-N 1 1 323.418 2.711 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594202872 398764954 /nfs/dbraw/zinc/76/49/54/398764954.db2.gz UEWLRVUPDBGSKI-JKSUJKDBSA-N 1 1 317.389 2.650 20 5 DFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269618440 283160690 /nfs/dbraw/zinc/16/06/90/283160690.db2.gz HJTHXBLHPTZAEL-HZMBPMFUSA-N 1 1 311.332 2.794 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000594370494 398788402 /nfs/dbraw/zinc/78/84/02/398788402.db2.gz RTXASHFHSCDXKZ-LBPRGKRZSA-N 1 1 320.393 2.695 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000594370494 398788405 /nfs/dbraw/zinc/78/84/05/398788405.db2.gz RTXASHFHSCDXKZ-LBPRGKRZSA-N 1 1 320.393 2.695 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC1CC1 ZINC000135264202 283212944 /nfs/dbraw/zinc/21/29/44/283212944.db2.gz DNFUPSVTMUKTHX-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000276872593 213146972 /nfs/dbraw/zinc/14/69/72/213146972.db2.gz HSSGNAQEOQKJSV-TZMCWYRMSA-N 1 1 308.378 2.729 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000276848435 213132080 /nfs/dbraw/zinc/13/20/80/213132080.db2.gz DDEHDESGAGSBJU-ZBFHGGJFSA-N 1 1 322.405 2.976 20 5 DFBDMO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075627354 398814252 /nfs/dbraw/zinc/81/42/52/398814252.db2.gz VOVVZOBHROUERO-STQMWFEESA-N 1 1 321.377 2.866 20 5 DFBDMO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075627354 398814255 /nfs/dbraw/zinc/81/42/55/398814255.db2.gz VOVVZOBHROUERO-STQMWFEESA-N 1 1 321.377 2.866 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000598466828 398818088 /nfs/dbraw/zinc/81/80/88/398818088.db2.gz WQXPQAUHFCPTBT-UHFFFAOYSA-N 1 1 321.421 2.764 20 5 DFBDMO COCCOC[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075953766 398830197 /nfs/dbraw/zinc/83/01/97/398830197.db2.gz GHUVNLLVTANVSS-KGLIPLIRSA-N 1 1 308.378 2.641 20 5 DFBDMO Cc1ncc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000052101689 398832602 /nfs/dbraw/zinc/83/26/02/398832602.db2.gz MRHOLRKEDKMZTA-UHFFFAOYSA-N 1 1 307.375 2.871 20 5 DFBDMO Cc1ncc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000052101689 398832603 /nfs/dbraw/zinc/83/26/03/398832603.db2.gz MRHOLRKEDKMZTA-UHFFFAOYSA-N 1 1 307.375 2.871 20 5 DFBDMO CCOc1ccc([C@H](C)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000152649759 283333138 /nfs/dbraw/zinc/33/31/38/283333138.db2.gz GZKGHHLXPJIVTE-LBPRGKRZSA-N 1 1 307.394 2.738 20 5 DFBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000052607503 398847671 /nfs/dbraw/zinc/84/76/71/398847671.db2.gz HFRZZLHHLVSGQI-UHFFFAOYSA-N 1 1 308.378 2.994 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000180341732 199148337 /nfs/dbraw/zinc/14/83/37/199148337.db2.gz OUEIZDXXFPKIDZ-CQSZACIVSA-N 1 1 319.405 2.734 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[NH2+][C@H](C(F)F)C2CCCCC2)n1 ZINC000598649906 398848398 /nfs/dbraw/zinc/84/83/98/398848398.db2.gz NMXDQBABKBXBJR-LBPRGKRZSA-N 1 1 302.325 2.595 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000076392648 398854452 /nfs/dbraw/zinc/85/44/52/398854452.db2.gz SGHKBBCGTYGYGL-TZMCWYRMSA-N 1 1 323.780 2.605 20 5 DFBDMO Cc1nn(C)c(NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000076795595 398870363 /nfs/dbraw/zinc/87/03/63/398870363.db2.gz HEEVPOVUFXKLKW-GFCCVEGCSA-N 1 1 309.414 2.561 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000053583417 398878060 /nfs/dbraw/zinc/87/80/60/398878060.db2.gz CBKOZPXYVLEZGZ-NSHDSACASA-N 1 1 308.338 2.647 20 5 DFBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000139184782 398881540 /nfs/dbraw/zinc/88/15/40/398881540.db2.gz XREWLKCFFRUYEB-ZDUSSCGKSA-N 1 1 319.405 2.716 20 5 DFBDMO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008196 398890715 /nfs/dbraw/zinc/89/07/15/398890715.db2.gz BUTWJPOBSRHMLF-OLZOCXBDSA-N 1 1 307.394 2.596 20 5 DFBDMO CC(C)[N@@H+](CCc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000077269767 398894048 /nfs/dbraw/zinc/89/40/48/398894048.db2.gz MQSGOPWYGIZAAB-UHFFFAOYSA-N 1 1 302.378 2.781 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c2ncccc12 ZINC000141178192 398893803 /nfs/dbraw/zinc/89/38/03/398893803.db2.gz LVNCMGXXIWABGE-CYBMUJFWSA-N 1 1 312.373 2.818 20 5 DFBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000054287037 398895103 /nfs/dbraw/zinc/89/51/03/398895103.db2.gz HQNQZNVYZWMQME-ZDUSSCGKSA-N 1 1 319.405 2.835 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000595036122 398895672 /nfs/dbraw/zinc/89/56/72/398895672.db2.gz PJTALCGXQGJSKV-QPUJVOFHSA-N 1 1 322.283 2.567 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000595051860 398898135 /nfs/dbraw/zinc/89/81/35/398898135.db2.gz PDHHSJYUXWDNJY-RLAWYHOSSA-N 1 1 319.405 2.879 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000595053404 398898046 /nfs/dbraw/zinc/89/80/46/398898046.db2.gz YAKXZIKPKFLXQO-GHMZBOCLSA-N 1 1 316.361 2.535 20 5 DFBDMO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000077359023 398900930 /nfs/dbraw/zinc/90/09/30/398900930.db2.gz QBVIWSQLKBOJJO-UHFFFAOYSA-N 1 1 317.389 2.747 20 5 DFBDMO C[N@H+]1CCCC[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000598994336 398905082 /nfs/dbraw/zinc/90/50/82/398905082.db2.gz KGUZIADPTRDGLP-RZIFZGNASA-N 1 1 303.406 2.930 20 5 DFBDMO C[N@@H+]1CCCC[C@H](CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000598994336 398905085 /nfs/dbraw/zinc/90/50/85/398905085.db2.gz KGUZIADPTRDGLP-RZIFZGNASA-N 1 1 303.406 2.930 20 5 DFBDMO C[N@H+]1CCCC[C@H](CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000598994336 398905086 /nfs/dbraw/zinc/90/50/86/398905086.db2.gz KGUZIADPTRDGLP-RZIFZGNASA-N 1 1 303.406 2.930 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccnc1C ZINC000598995749 398905097 /nfs/dbraw/zinc/90/50/97/398905097.db2.gz ACMMDZBJALREIQ-UHFFFAOYSA-N 1 1 301.346 2.987 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054676753 398906917 /nfs/dbraw/zinc/90/69/17/398906917.db2.gz HXRPRWPTJAIZEL-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H](C)C1 ZINC000187908285 200174684 /nfs/dbraw/zinc/17/46/84/200174684.db2.gz XPCDFYVGEOTKJA-LBPRGKRZSA-N 1 1 305.378 2.964 20 5 DFBDMO CC(=O)c1nc(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000595286741 398916079 /nfs/dbraw/zinc/91/60/79/398916079.db2.gz GVHFUMYLGJCJSY-UHFFFAOYSA-N 1 1 316.361 2.503 20 5 DFBDMO CC(=O)c1nc(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000595286741 398916081 /nfs/dbraw/zinc/91/60/81/398916081.db2.gz GVHFUMYLGJCJSY-UHFFFAOYSA-N 1 1 316.361 2.503 20 5 DFBDMO CO[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)[C@H]1CCOC1 ZINC000595296071 398917900 /nfs/dbraw/zinc/91/79/00/398917900.db2.gz XDFBIWPONCOIJF-DOTOQJQBSA-N 1 1 322.405 2.857 20 5 DFBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+](C2CC2)CC1 ZINC000149243664 398917509 /nfs/dbraw/zinc/91/75/09/398917509.db2.gz ZAQDCAHABWFQOR-UHFFFAOYSA-N 1 1 323.780 2.559 20 5 DFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000595307897 398920212 /nfs/dbraw/zinc/92/02/12/398920212.db2.gz NCPNREKZWOTBEY-INIZCTEOSA-N 1 1 304.321 2.899 20 5 DFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000595307897 398920217 /nfs/dbraw/zinc/92/02/17/398920217.db2.gz NCPNREKZWOTBEY-INIZCTEOSA-N 1 1 304.321 2.899 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NC1CC([NH+]2CCOCC2)C1 ZINC000599095869 398920673 /nfs/dbraw/zinc/92/06/73/398920673.db2.gz XBECOIKKJHBFIS-UHFFFAOYSA-N 1 1 311.769 2.523 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)nc1 ZINC000595376727 398929275 /nfs/dbraw/zinc/92/92/75/398929275.db2.gz SSYYWRUQBWHXFW-APIJFGDWSA-N 1 1 316.405 2.912 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(CO)CC1 ZINC000190019289 200476249 /nfs/dbraw/zinc/47/62/49/200476249.db2.gz KZCQAVZGEKKULF-UHFFFAOYSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1(CO)CC1 ZINC000190019289 200476251 /nfs/dbraw/zinc/47/62/51/200476251.db2.gz KZCQAVZGEKKULF-UHFFFAOYSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595444584 398939835 /nfs/dbraw/zinc/93/98/35/398939835.db2.gz BPYOXEOMAFLTCZ-GFCCVEGCSA-N 1 1 310.350 2.927 20 5 DFBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(F)cc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000595493607 398949678 /nfs/dbraw/zinc/94/96/78/398949678.db2.gz UNEBYJLTAOWZQF-GSJWJAIFSA-N 1 1 306.337 2.589 20 5 DFBDMO COc1cc(C[N@@H+](C2CC2)C2(CO)CCC2)c([N+](=O)[O-])cc1F ZINC000595534444 398958070 /nfs/dbraw/zinc/95/80/70/398958070.db2.gz TYVDIGHYHWGLMX-UHFFFAOYSA-N 1 1 324.352 2.622 20 5 DFBDMO CC[N@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000595536102 398959314 /nfs/dbraw/zinc/95/93/14/398959314.db2.gz VHJCBRXBQSOMCK-ZDUSSCGKSA-N 1 1 307.394 2.520 20 5 DFBDMO CCOc1cc(CN2CCC[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000595536216 398959319 /nfs/dbraw/zinc/95/93/19/398959319.db2.gz OYUAJXUBVUMKTC-CQSZACIVSA-N 1 1 321.421 2.910 20 5 DFBDMO COc1cncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000599353490 398960127 /nfs/dbraw/zinc/96/01/27/398960127.db2.gz HQUJVYCMMPMDAZ-NSHDSACASA-N 1 1 302.334 2.553 20 5 DFBDMO CCc1ccc(C(=O)NCC[N@H+](CC)C(C)C)cc1[N+](=O)[O-] ZINC000471966153 299317914 /nfs/dbraw/zinc/31/79/14/299317914.db2.gz HPZDUACJPXJVFU-UHFFFAOYSA-N 1 1 307.394 2.617 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000078526520 398964405 /nfs/dbraw/zinc/96/44/05/398964405.db2.gz ZUFOYYKXMFRVPP-AWEZNQCLSA-N 1 1 304.394 2.975 20 5 DFBDMO Cc1cc(NC[C@@H]2CCc3[nH+]ccn3C2)c(F)cc1[N+](=O)[O-] ZINC000292646234 223183264 /nfs/dbraw/zinc/18/32/64/223183264.db2.gz OYJCSGWGGXMRNW-NSHDSACASA-N 1 1 304.325 2.913 20 5 DFBDMO Nc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCc3sccc3C2)c1 ZINC000193392661 201044583 /nfs/dbraw/zinc/04/45/83/201044583.db2.gz AMULVJAETQRTEM-UHFFFAOYSA-N 1 1 318.402 2.709 20 5 DFBDMO Cc1nn(C)c(SCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000193743998 201115238 /nfs/dbraw/zinc/11/52/38/201115238.db2.gz HUDZZTSBWYXJBJ-UHFFFAOYSA-N 1 1 320.418 2.861 20 5 DFBDMO Cc1cnc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000078653781 398976953 /nfs/dbraw/zinc/97/69/53/398976953.db2.gz ZWOWAIXKOVTFBP-UHFFFAOYSA-N 1 1 318.402 2.830 20 5 DFBDMO Cc1cnc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000078653781 398976960 /nfs/dbraw/zinc/97/69/60/398976960.db2.gz ZWOWAIXKOVTFBP-UHFFFAOYSA-N 1 1 318.402 2.830 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000163193198 398985582 /nfs/dbraw/zinc/98/55/82/398985582.db2.gz AUIJJUUHSLOGGT-ZDUSSCGKSA-N 1 1 320.393 2.757 20 5 DFBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CO ZINC000162458569 398983588 /nfs/dbraw/zinc/98/35/88/398983588.db2.gz HGFHVKGETTWISE-UHFFFAOYSA-N 1 1 317.183 2.560 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000163193084 398986335 /nfs/dbraw/zinc/98/63/35/398986335.db2.gz AUIJJUUHSLOGGT-CYBMUJFWSA-N 1 1 320.393 2.757 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194678955 201271137 /nfs/dbraw/zinc/27/11/37/201271137.db2.gz SLIICZQVBSKEAW-ZDUSSCGKSA-N 1 1 305.378 2.507 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)Cc1ccccc1 ZINC000595593950 398989844 /nfs/dbraw/zinc/98/98/44/398989844.db2.gz BXWDNLIXIQANFW-MRXNPFEDSA-N 1 1 318.348 2.769 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CO)Cc1ccccc1 ZINC000595595212 398991032 /nfs/dbraw/zinc/99/10/32/398991032.db2.gz IGXHLGYQTFWIKW-SFHVURJKSA-N 1 1 314.385 2.673 20 5 DFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000595599548 398991961 /nfs/dbraw/zinc/99/19/61/398991961.db2.gz YCHUOKJCLRVEEB-AWEZNQCLSA-N 1 1 306.387 2.692 20 5 DFBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000595599548 398991967 /nfs/dbraw/zinc/99/19/67/398991967.db2.gz YCHUOKJCLRVEEB-AWEZNQCLSA-N 1 1 306.387 2.692 20 5 DFBDMO CC(C)c1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000595658806 399023454 /nfs/dbraw/zinc/02/34/54/399023454.db2.gz WHKCJMVWQCMCMP-UHFFFAOYSA-N 1 1 314.389 2.973 20 5 DFBDMO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595674569 399029652 /nfs/dbraw/zinc/02/96/52/399029652.db2.gz LNPZHPOFNQDFON-BMIGLBTASA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595674569 399029655 /nfs/dbraw/zinc/02/96/55/399029655.db2.gz LNPZHPOFNQDFON-BMIGLBTASA-N 1 1 314.332 2.856 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000091672786 193089750 /nfs/dbraw/zinc/08/97/50/193089750.db2.gz WGLBSMALJVTKKS-CQSZACIVSA-N 1 1 319.405 2.686 20 5 DFBDMO C[C@@H]1C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1=O ZINC000595715129 399051381 /nfs/dbraw/zinc/05/13/81/399051381.db2.gz RHRIDABQFPXQJP-CHWSQXEVSA-N 1 1 306.362 2.521 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000599673933 399056627 /nfs/dbraw/zinc/05/66/27/399056627.db2.gz WKOYKKSEUYJPHR-HNNXBMFYSA-N 1 1 320.389 2.601 20 5 DFBDMO O=C(CC[N@H+]1CCC[C@@H](CCF)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595755249 399070457 /nfs/dbraw/zinc/07/04/57/399070457.db2.gz JRDYJTCDWWXHCA-ZDUSSCGKSA-N 1 1 323.368 2.995 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2F)CC2CC2)n1 ZINC000595766167 399076966 /nfs/dbraw/zinc/07/69/66/399076966.db2.gz BKIXEJIBKYJFFK-UHFFFAOYSA-N 1 1 318.352 2.843 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000058591882 399087309 /nfs/dbraw/zinc/08/73/09/399087309.db2.gz IZSHDHCSMHVMHD-GFCCVEGCSA-N 1 1 306.362 2.604 20 5 DFBDMO CCc1nnc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338349740 284103585 /nfs/dbraw/zinc/10/35/85/284103585.db2.gz HALCCBVQEBNNDN-LLVKDONJSA-N 1 1 304.350 2.776 20 5 DFBDMO CCc1nnc([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338349740 284103588 /nfs/dbraw/zinc/10/35/88/284103588.db2.gz HALCCBVQEBNNDN-LLVKDONJSA-N 1 1 304.350 2.776 20 5 DFBDMO CO[C@@H](CC(C)C)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000419277625 296131340 /nfs/dbraw/zinc/13/13/40/296131340.db2.gz MGJFUSVWMJJKIB-HNNXBMFYSA-N 1 1 308.378 2.850 20 5 DFBDMO CO[C@@H](CC(C)C)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000419277625 296131341 /nfs/dbraw/zinc/13/13/41/296131341.db2.gz MGJFUSVWMJJKIB-HNNXBMFYSA-N 1 1 308.378 2.850 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419374682 296137652 /nfs/dbraw/zinc/13/76/52/296137652.db2.gz QITNBGLMJZPNNI-AVGNSLFASA-N 1 1 305.378 2.818 20 5 DFBDMO COCCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000419389672 296139284 /nfs/dbraw/zinc/13/92/84/296139284.db2.gz OZVGXPLOGMKLRE-CYBMUJFWSA-N 1 1 323.393 2.589 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595874422 399118611 /nfs/dbraw/zinc/11/86/11/399118611.db2.gz OMTLANRZFNRVCJ-SUMWQHHRSA-N 1 1 322.405 2.832 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191545 284156304 /nfs/dbraw/zinc/15/63/04/284156304.db2.gz IOKOHNZVBCOORP-CHWSQXEVSA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191545 284156305 /nfs/dbraw/zinc/15/63/05/284156305.db2.gz IOKOHNZVBCOORP-CHWSQXEVSA-N 1 1 318.295 2.873 20 5 DFBDMO C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000600708822 399120779 /nfs/dbraw/zinc/12/07/79/399120779.db2.gz GPDZCQOVHCHBLA-KCXAZCMYSA-N 1 1 303.406 2.646 20 5 DFBDMO CCOCC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000093312032 193227985 /nfs/dbraw/zinc/22/79/85/193227985.db2.gz GMOSRYUTQCYMJF-UHFFFAOYSA-N 1 1 319.361 2.761 20 5 DFBDMO CN(C(=O)C[N@@H+](C)C[C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595908724 399132099 /nfs/dbraw/zinc/13/20/99/399132099.db2.gz KBIMIBAGVKAHFQ-GFCCVEGCSA-N 1 1 305.378 2.536 20 5 DFBDMO Cc1c[nH+]ccc1OC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340938233 284220980 /nfs/dbraw/zinc/22/09/80/284220980.db2.gz YLORIUOVNCBHNL-UHFFFAOYSA-N 1 1 314.345 2.741 20 5 DFBDMO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595920406 399137038 /nfs/dbraw/zinc/13/70/38/399137038.db2.gz SCODZRWBLLVPHM-IAQYHMDHSA-N 1 1 314.332 2.882 20 5 DFBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595920406 399137039 /nfs/dbraw/zinc/13/70/39/399137039.db2.gz SCODZRWBLLVPHM-IAQYHMDHSA-N 1 1 314.332 2.882 20 5 DFBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000282458340 217010576 /nfs/dbraw/zinc/01/05/76/217010576.db2.gz MNPQAESKOFZJSW-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000264687926 204079570 /nfs/dbraw/zinc/07/95/70/204079570.db2.gz CYXRPSNYUKHGPF-VXGBXAGGSA-N 1 1 323.393 2.908 20 5 DFBDMO Cc1nn(C)c(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000264764772 204141327 /nfs/dbraw/zinc/14/13/27/204141327.db2.gz OCYKVYJCNLUODR-GFCCVEGCSA-N 1 1 317.393 2.569 20 5 DFBDMO Cc1nn(C)c(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000271745509 209177408 /nfs/dbraw/zinc/17/74/08/209177408.db2.gz AUDIJKMSQYCYAD-LBPRGKRZSA-N 1 1 317.393 2.569 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@](C)(O)c1ccccc1 ZINC000282500310 217042434 /nfs/dbraw/zinc/04/24/34/217042434.db2.gz QUFJMGZAJFJQHJ-SFHVURJKSA-N 1 1 314.385 2.977 20 5 DFBDMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282647834 217151619 /nfs/dbraw/zinc/15/16/19/217151619.db2.gz CEDNISCFHICWIT-CQSZACIVSA-N 1 1 318.352 2.903 20 5 DFBDMO Cc1[nH+]ccn1[C@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596116928 399179307 /nfs/dbraw/zinc/17/93/07/399179307.db2.gz ZIMKBLJAVBQURV-NSHDSACASA-N 1 1 321.768 2.990 20 5 DFBDMO CC[C@H]1CN(c2cc(C)sc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000596116150 399179120 /nfs/dbraw/zinc/17/91/20/399179120.db2.gz YFKVJCHGRHBJHS-LBPRGKRZSA-N 1 1 313.423 2.512 20 5 DFBDMO CC[C@H]1CN(c2cc(C)sc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000596116150 399179123 /nfs/dbraw/zinc/17/91/23/399179123.db2.gz YFKVJCHGRHBJHS-LBPRGKRZSA-N 1 1 313.423 2.512 20 5 DFBDMO O=[N+]([O-])c1cncc(Cl)c1N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000596123568 399181626 /nfs/dbraw/zinc/18/16/26/399181626.db2.gz MFBDAPMYGUGSDW-UHFFFAOYSA-N 1 1 321.768 2.825 20 5 DFBDMO CC(C)CN(C(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271706741 209142925 /nfs/dbraw/zinc/14/29/25/209142925.db2.gz IIWJJRRYMMIGDF-CYBMUJFWSA-N 1 1 319.405 2.892 20 5 DFBDMO COc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596142672 399189116 /nfs/dbraw/zinc/18/91/16/399189116.db2.gz UZMHMCSZZRPWCC-LLVKDONJSA-N 1 1 323.780 2.707 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000266183613 205166806 /nfs/dbraw/zinc/16/68/06/205166806.db2.gz SSVFDQWHFRSMTK-CYBMUJFWSA-N 1 1 323.368 2.680 20 5 DFBDMO Cc1[nH+]ccn1CCCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000266254779 205218729 /nfs/dbraw/zinc/21/87/29/205218729.db2.gz NVSXTALXAXSMIF-UHFFFAOYSA-N 1 1 316.321 2.528 20 5 DFBDMO CN(C[C@@H]1CCC[N@H+]1C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000420628430 296193790 /nfs/dbraw/zinc/19/37/90/296193790.db2.gz ATFSDYCUVKPPFB-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO Cc1cc(C)c(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c(C)[nH+]1 ZINC000601074969 399218546 /nfs/dbraw/zinc/21/85/46/399218546.db2.gz HOPUHDKIZJWPQW-UHFFFAOYSA-N 1 1 313.313 2.871 20 5 DFBDMO Cc1cc(C)c(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)c(C)[nH+]1 ZINC000601077563 399219530 /nfs/dbraw/zinc/21/95/30/399219530.db2.gz VGNTVHSRWPCQQP-UHFFFAOYSA-N 1 1 307.737 2.778 20 5 DFBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000267398350 206037450 /nfs/dbraw/zinc/03/74/50/206037450.db2.gz WQLBQMSIOBRIBR-LLVKDONJSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000267398350 206037454 /nfs/dbraw/zinc/03/74/54/206037454.db2.gz WQLBQMSIOBRIBR-LLVKDONJSA-N 1 1 323.780 2.559 20 5 DFBDMO C[C@@](CO)([NH2+]Cc1cncc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000601148650 399240714 /nfs/dbraw/zinc/24/07/14/399240714.db2.gz GFSRBWZOUXKCAY-HNNXBMFYSA-N 1 1 321.764 2.641 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCC[C@H]3CCO)c2c1 ZINC000601150159 399241873 /nfs/dbraw/zinc/24/18/73/399241873.db2.gz XGOMOBKPGXVREZ-FZMZJTMJSA-N 1 1 301.346 2.528 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(c3ccnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000601168089 399246069 /nfs/dbraw/zinc/24/60/69/399246069.db2.gz OKFAYMCPWYRDAU-KRWDZBQOSA-N 1 1 312.373 2.675 20 5 DFBDMO Cn1ncc2c1CCCN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000601176463 399248389 /nfs/dbraw/zinc/24/83/89/399248389.db2.gz QGQLIVGGTOQQOQ-UHFFFAOYSA-N 1 1 323.356 2.829 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000601189270 399251344 /nfs/dbraw/zinc/25/13/44/399251344.db2.gz PKPMSVUYVIQIKD-CYBMUJFWSA-N 1 1 322.409 2.698 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H]4C[C@H](O)CC[C@@H]4C3)c2c1 ZINC000601192458 399251848 /nfs/dbraw/zinc/25/18/48/399251848.db2.gz WISCXIJDJDBYNW-MBNYWOFBSA-N 1 1 313.357 2.740 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](CCO)CC3)nc2c1 ZINC000421020355 296226533 /nfs/dbraw/zinc/22/65/33/296226533.db2.gz QZMUMFPXWFPVFA-GFCCVEGCSA-N 1 1 319.361 2.721 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421040103 296230511 /nfs/dbraw/zinc/23/05/11/296230511.db2.gz MVSYHFDLENDZCO-ZDUSSCGKSA-N 1 1 308.378 2.588 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000614771958 399266793 /nfs/dbraw/zinc/26/67/93/399266793.db2.gz YGKBGYIFRIDXQX-CYBMUJFWSA-N 1 1 300.362 2.799 20 5 DFBDMO Cc1c(Cl)c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)nn1C ZINC000421341285 296245887 /nfs/dbraw/zinc/24/58/87/296245887.db2.gz LCLAWSGLYVWJMT-UHFFFAOYSA-N 1 1 308.769 2.622 20 5 DFBDMO COc1cc(C[NH2+]Cc2cc(C)nc(C)c2)c([N+](=O)[O-])cc1O ZINC000421370978 296249608 /nfs/dbraw/zinc/24/96/08/296249608.db2.gz DLSXSMJAZQLIPS-UHFFFAOYSA-N 1 1 317.345 2.611 20 5 DFBDMO CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000601411272 399287709 /nfs/dbraw/zinc/28/77/09/399287709.db2.gz QQPGFPFGAKVZQM-KWCYVHTRSA-N 1 1 305.378 2.502 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000615000624 399290082 /nfs/dbraw/zinc/29/00/82/399290082.db2.gz LMMUJLICBIYVDO-UHFFFAOYSA-N 1 1 317.389 2.850 20 5 DFBDMO Cc1nccn1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260230 399310395 /nfs/dbraw/zinc/31/03/95/399310395.db2.gz HTVYSDKCCKOZCE-KRWDZBQOSA-N 1 1 314.389 2.979 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000609258488 399311037 /nfs/dbraw/zinc/31/10/37/399311037.db2.gz ZGLFVNSDHVYVSR-CQSZACIVSA-N 1 1 316.361 2.637 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609278947 399311644 /nfs/dbraw/zinc/31/16/44/399311644.db2.gz WKHPSPCXRGRZRL-CVEARBPZSA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1nccn1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000609260478 399311660 /nfs/dbraw/zinc/31/16/60/399311660.db2.gz RDCXCYDHXXCQKN-INIZCTEOSA-N 1 1 300.362 2.937 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000615256653 399318563 /nfs/dbraw/zinc/31/85/63/399318563.db2.gz SETQWAJHOLWXSO-CYBMUJFWSA-N 1 1 319.405 2.884 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000615256653 399318564 /nfs/dbraw/zinc/31/85/64/399318564.db2.gz SETQWAJHOLWXSO-CYBMUJFWSA-N 1 1 319.405 2.884 20 5 DFBDMO CC[C@H]1CCCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610080180 399341007 /nfs/dbraw/zinc/34/10/07/399341007.db2.gz QXNXDSAKSLJWLN-GOEBONIOSA-N 1 1 322.405 2.989 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000104956742 194057527 /nfs/dbraw/zinc/05/75/27/194057527.db2.gz LMDSNQXZXOQFCY-CQSZACIVSA-N 1 1 308.378 2.601 20 5 DFBDMO Cc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000104970040 194060064 /nfs/dbraw/zinc/06/00/64/194060064.db2.gz CWRDEDDBDNDETM-AWEZNQCLSA-N 1 1 318.377 2.605 20 5 DFBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000610368634 399361659 /nfs/dbraw/zinc/36/16/59/399361659.db2.gz JKYFPLYBCOVKCY-AWEZNQCLSA-N 1 1 306.362 2.857 20 5 DFBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284884000 218221198 /nfs/dbraw/zinc/22/11/98/218221198.db2.gz TVKCOQKYTNQGJF-DGCLKSJQSA-N 1 1 323.349 2.628 20 5 DFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284884006 218221853 /nfs/dbraw/zinc/22/18/53/218221853.db2.gz TVKCOQKYTNQGJF-YPMHNXCESA-N 1 1 323.349 2.628 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+](C[C@H]3CCOC3)C3CC3)nc2c1 ZINC000610581223 399382731 /nfs/dbraw/zinc/38/27/31/399382731.db2.gz SHCDGUVXGPTEBO-LLVKDONJSA-N 1 1 317.345 2.737 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585361 399384072 /nfs/dbraw/zinc/38/40/72/399384072.db2.gz MFVMSEVBBFJXSS-DOMZBBRYSA-N 1 1 303.362 2.716 20 5 DFBDMO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000602023568 399386719 /nfs/dbraw/zinc/38/67/19/399386719.db2.gz XTVCEDMZLUOBFN-TZMCWYRMSA-N 1 1 315.373 2.881 20 5 DFBDMO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285286600 218366657 /nfs/dbraw/zinc/36/66/57/218366657.db2.gz JYAZWHFZFXBLRB-CYBMUJFWSA-N 1 1 321.421 2.762 20 5 DFBDMO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285286600 218366658 /nfs/dbraw/zinc/36/66/58/218366658.db2.gz JYAZWHFZFXBLRB-CYBMUJFWSA-N 1 1 321.421 2.762 20 5 DFBDMO C[C@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602070699 399391469 /nfs/dbraw/zinc/39/14/69/399391469.db2.gz HYQRUNGMCZQPEH-BLLLJJGKSA-N 1 1 317.389 2.789 20 5 DFBDMO C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000602133166 399399535 /nfs/dbraw/zinc/39/95/35/399399535.db2.gz ORGZQOMWWVHQMV-LBPRGKRZSA-N 1 1 307.394 2.750 20 5 DFBDMO C[C@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000602135282 399400042 /nfs/dbraw/zinc/40/00/42/399400042.db2.gz ZGKWWEABSDBKMR-BLLLJJGKSA-N 1 1 317.389 2.789 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000055927648 184001389 /nfs/dbraw/zinc/00/13/89/184001389.db2.gz SOJBZZKGBYNRBQ-HNNXBMFYSA-N 1 1 317.389 2.848 20 5 DFBDMO Cc1[nH+]ccn1[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000610929360 399419026 /nfs/dbraw/zinc/41/90/26/399419026.db2.gz GIOGPWQVUOWJOU-GFCCVEGCSA-N 1 1 321.768 2.990 20 5 DFBDMO CCCN(C(=O)Cn1c[nH+]cc1C)c1cccc([N+](=O)[O-])c1 ZINC000602324431 399424086 /nfs/dbraw/zinc/42/40/86/399424086.db2.gz GLOONPCJAOXYNS-UHFFFAOYSA-N 1 1 302.334 2.543 20 5 DFBDMO Cc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000059384711 184138154 /nfs/dbraw/zinc/13/81/54/184138154.db2.gz ZYWXYGOTOHXCLG-OKILXGFUSA-N 1 1 307.394 2.814 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000269043081 207192191 /nfs/dbraw/zinc/19/21/91/207192191.db2.gz NLFNEAJHLXEFGN-OKILXGFUSA-N 1 1 322.409 2.600 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180566 399442800 /nfs/dbraw/zinc/44/28/00/399442800.db2.gz ZMNIUHQMJUBJLA-ZJUUUORDSA-N 1 1 313.304 2.509 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180566 399442801 /nfs/dbraw/zinc/44/28/01/399442801.db2.gz ZMNIUHQMJUBJLA-ZJUUUORDSA-N 1 1 313.304 2.509 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](C(F)F)C3)n2)c1 ZINC000611180542 399443105 /nfs/dbraw/zinc/44/31/05/399443105.db2.gz ZDKWKCFOUUFDEP-JTQLQIEISA-N 1 1 324.287 2.732 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](C(F)F)C3)n2)c1 ZINC000611180542 399443109 /nfs/dbraw/zinc/44/31/09/399443109.db2.gz ZDKWKCFOUUFDEP-JTQLQIEISA-N 1 1 324.287 2.732 20 5 DFBDMO C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611265607 399453350 /nfs/dbraw/zinc/45/33/50/399453350.db2.gz JGWQHBVJAZVFIN-GFCCVEGCSA-N 1 1 306.362 2.988 20 5 DFBDMO Cn1cc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602469868 399453437 /nfs/dbraw/zinc/45/34/37/399453437.db2.gz FNEDPTOWDHDOQW-CQSZACIVSA-N 1 1 318.402 2.618 20 5 DFBDMO Cn1cc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602469868 399453440 /nfs/dbraw/zinc/45/34/40/399453440.db2.gz FNEDPTOWDHDOQW-CQSZACIVSA-N 1 1 318.402 2.618 20 5 DFBDMO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000602471216 399453456 /nfs/dbraw/zinc/45/34/56/399453456.db2.gz KKDOVBQCGKYVNM-ZIAGYGMSSA-N 1 1 324.425 2.744 20 5 DFBDMO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441090 399444848 /nfs/dbraw/zinc/44/48/48/399444848.db2.gz SZCDFCWUZWFYKI-OAHLLOKOSA-N 1 1 300.362 2.974 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000602494324 399460522 /nfs/dbraw/zinc/46/05/22/399460522.db2.gz NMCHLIUUTQKVKF-ZANVPECISA-N 1 1 318.295 2.816 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CC1)OCCO2 ZINC000611268577 399454940 /nfs/dbraw/zinc/45/49/40/399454940.db2.gz WKENTCHJTSJFTR-CYBMUJFWSA-N 1 1 304.346 2.740 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])n1 ZINC000602475959 399456375 /nfs/dbraw/zinc/45/63/75/399456375.db2.gz UPCUZNFMFHZQOO-GFCCVEGCSA-N 1 1 320.780 2.971 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580098 399496087 /nfs/dbraw/zinc/49/60/87/399496087.db2.gz QQDJWSJGGAILTN-LLVKDONJSA-N 1 1 316.304 2.677 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580098 399496088 /nfs/dbraw/zinc/49/60/88/399496088.db2.gz QQDJWSJGGAILTN-LLVKDONJSA-N 1 1 316.304 2.677 20 5 DFBDMO CC1(C)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000602644428 399500819 /nfs/dbraw/zinc/50/08/19/399500819.db2.gz QMVDBKGGWLSPFW-GFCCVEGCSA-N 1 1 318.295 2.816 20 5 DFBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000611616603 399499128 /nfs/dbraw/zinc/49/91/28/399499128.db2.gz ABEZTQWKROXYGD-AWEZNQCLSA-N 1 1 315.377 2.781 20 5 DFBDMO COc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292922293 532959142 /nfs/dbraw/zinc/95/91/42/532959142.db2.gz YMGBWGIXAWESLR-MRXNPFEDSA-N 1 1 305.378 2.526 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611708969 399508842 /nfs/dbraw/zinc/50/88/42/399508842.db2.gz OUCRJXXCADOLMW-IAQYHMDHSA-N 1 1 315.377 2.679 20 5 DFBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347017805 285005744 /nfs/dbraw/zinc/00/57/44/285005744.db2.gz YQIHEFUZFGTWFT-LBPRGKRZSA-N 1 1 323.780 2.557 20 5 DFBDMO CC(=O)N1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347361490 285014550 /nfs/dbraw/zinc/01/45/50/285014550.db2.gz OZAUIFCOBZXYEY-KAMYIIQDSA-N 1 1 317.389 2.552 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347369810 285017570 /nfs/dbraw/zinc/01/75/70/285017570.db2.gz UKYMHLRCOBFJQU-ISBHARSQSA-N 1 1 317.389 2.551 20 5 DFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668056 399511307 /nfs/dbraw/zinc/51/13/07/399511307.db2.gz SIDMOAGHQBMQJS-FZMZJTMJSA-N 1 1 318.377 2.508 20 5 DFBDMO CCc1ccc([C@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cc1 ZINC000602671051 399513760 /nfs/dbraw/zinc/51/37/60/399513760.db2.gz TZQSLOQFTZJCNF-HNNXBMFYSA-N 1 1 314.389 2.880 20 5 DFBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCSC1 ZINC000119982204 195074109 /nfs/dbraw/zinc/07/41/09/195074109.db2.gz IQWNNPITUQINPC-LBPRGKRZSA-N 1 1 320.374 2.582 20 5 DFBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCSC1 ZINC000119982204 195074111 /nfs/dbraw/zinc/07/41/11/195074111.db2.gz IQWNNPITUQINPC-LBPRGKRZSA-N 1 1 320.374 2.582 20 5 DFBDMO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]2COC[C@@H]21 ZINC000602687461 399520956 /nfs/dbraw/zinc/52/09/56/399520956.db2.gz WTXLNKBXYUDKMF-WCQYABFASA-N 1 1 317.345 2.593 20 5 DFBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]2COC[C@@H]21 ZINC000602687461 399520958 /nfs/dbraw/zinc/52/09/58/399520958.db2.gz WTXLNKBXYUDKMF-WCQYABFASA-N 1 1 317.345 2.593 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000602705666 399530445 /nfs/dbraw/zinc/53/04/45/399530445.db2.gz NCBCEAFUFXUPCV-LLVKDONJSA-N 1 1 318.352 2.629 20 5 DFBDMO C[C@@H](CCO)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704128 399529062 /nfs/dbraw/zinc/52/90/62/399529062.db2.gz FBBRCSMBLHMSGD-ZETCQYMHSA-N 1 1 323.212 2.622 20 5 DFBDMO C[C@@H](CCO)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704128 399529066 /nfs/dbraw/zinc/52/90/66/399529066.db2.gz FBBRCSMBLHMSGD-ZETCQYMHSA-N 1 1 323.212 2.622 20 5 DFBDMO C[C@H](CCO)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704127 399529199 /nfs/dbraw/zinc/52/91/99/399529199.db2.gz FBBRCSMBLHMSGD-SSDOTTSWSA-N 1 1 323.212 2.622 20 5 DFBDMO C[C@H](CCO)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704127 399529204 /nfs/dbraw/zinc/52/92/04/399529204.db2.gz FBBRCSMBLHMSGD-SSDOTTSWSA-N 1 1 323.212 2.622 20 5 DFBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@H+]3CCCC[C@@H]23)s1 ZINC000286343396 218929106 /nfs/dbraw/zinc/92/91/06/218929106.db2.gz KKHWUOSRPDYINF-QWRGUYRKSA-N 1 1 319.390 2.638 20 5 DFBDMO CC(=O)c1ccc(N[C@H](C)C2=CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000273004210 210383445 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CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000354420316 147030790 /nfs/dbraw/zinc/03/07/90/147030790.db2.gz FBXVPASGNZMXIY-UONOGXRCSA-N 1 1 319.405 2.848 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355539052 147354815 /nfs/dbraw/zinc/35/48/15/147354815.db2.gz WTKGPXUAWYPSMT-CQSZACIVSA-N 1 1 310.419 2.593 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000355578042 147370761 /nfs/dbraw/zinc/37/07/61/147370761.db2.gz FFNYCBQGAKNQDQ-CHWSQXEVSA-N 1 1 320.393 2.816 20 5 DFBDMO COC(=O)COc1ccc(C[N@@H+](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000355586129 147373882 /nfs/dbraw/zinc/37/38/82/147373882.db2.gz SHJBYMHMJDVARO-UHFFFAOYSA-N 1 1 322.361 2.519 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000357662723 148075426 /nfs/dbraw/zinc/07/54/26/148075426.db2.gz JUECHIGZLVILED-ZDUSSCGKSA-N 1 1 322.409 2.514 20 5 DFBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H](O)C(F)(F)F ZINC000350285148 286024330 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DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000067387594 425910139 /nfs/dbraw/zinc/91/01/39/425910139.db2.gz VYUWYGDDBHMAHS-JKSUJKDBSA-N 1 1 306.362 2.617 20 5 DFBDMO CC[N@@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000102573219 425922171 /nfs/dbraw/zinc/92/21/71/425922171.db2.gz RCSBFXUMDXJQIM-UHFFFAOYSA-N 1 1 308.382 2.755 20 5 DFBDMO CC[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000030144996 425830193 /nfs/dbraw/zinc/83/01/93/425830193.db2.gz CLGHRKFVFOROJM-ZDUSSCGKSA-N 1 1 317.389 2.606 20 5 DFBDMO C[N@H+]1CC[C@@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000037647797 425848903 /nfs/dbraw/zinc/84/89/03/425848903.db2.gz ZXXDTHMFSUESPA-VIFPVBQESA-N 1 1 314.183 2.721 20 5 DFBDMO C[C@@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245452986 268164363 /nfs/dbraw/zinc/16/43/63/268164363.db2.gz FDBOAHSTZQPUCZ-FRRDWIJNSA-N 1 1 305.378 2.645 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000272970205 268254273 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CC[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000125874933 425993559 /nfs/dbraw/zinc/99/35/59/425993559.db2.gz IPYIBKCDYPVUAQ-ZDUSSCGKSA-N 1 1 305.378 2.964 20 5 DFBDMO C[C@@]1(O)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000125115667 425954580 /nfs/dbraw/zinc/95/45/80/425954580.db2.gz UOERVYZXGUPIGS-MRXNPFEDSA-N 1 1 317.345 2.597 20 5 DFBDMO C[C@@]1(O)CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000125115667 425954582 /nfs/dbraw/zinc/95/45/82/425954582.db2.gz UOERVYZXGUPIGS-MRXNPFEDSA-N 1 1 317.345 2.597 20 5 DFBDMO COc1ccc(NC(=O)C[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000104077878 425958555 /nfs/dbraw/zinc/95/85/55/425958555.db2.gz LZRPCRZIDIPXDV-VXGBXAGGSA-N 1 1 321.377 2.805 20 5 DFBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000125356209 425967636 /nfs/dbraw/zinc/96/76/36/425967636.db2.gz HMYOVDLLQYTAPT-CYBMUJFWSA-N 1 1 317.389 2.684 20 5 DFBDMO Cc1ccnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000161915610 426045527 /nfs/dbraw/zinc/04/55/27/426045527.db2.gz ADLZSASRSVWQDM-HIFRSBDPSA-N 1 1 316.405 2.751 20 5 DFBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000161981173 426048422 /nfs/dbraw/zinc/04/84/22/426048422.db2.gz IJKLBOLDUIUHGV-CQSZACIVSA-N 1 1 319.405 2.611 20 5 DFBDMO CCC[N@@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162451366 426065567 /nfs/dbraw/zinc/06/55/67/426065567.db2.gz SRPKAALJXOCEKU-UHFFFAOYSA-N 1 1 317.183 2.562 20 5 DFBDMO CCc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(C)[nH+]1 ZINC000337804869 268550475 /nfs/dbraw/zinc/55/04/75/268550475.db2.gz KCHBKTQDQRULET-UHFFFAOYSA-N 1 1 300.362 2.935 20 5 DFBDMO CN(CCc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[N@H+]1C ZINC000075860344 426088016 /nfs/dbraw/zinc/08/80/16/426088016.db2.gz IKEJFTSZYOTUBY-MRXNPFEDSA-N 1 1 305.422 2.944 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000113232289 426109313 /nfs/dbraw/zinc/10/93/13/426109313.db2.gz IZVDATXUXDQENM-ZYHUDNBSSA-N 1 1 323.780 2.557 20 5 DFBDMO CC[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164759056 426118286 /nfs/dbraw/zinc/11/82/86/426118286.db2.gz FHQLOSCOZHDZNL-KBPBESRZSA-N 1 1 301.350 2.762 20 5 DFBDMO COCCC[N@@H+](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166771275 426128359 /nfs/dbraw/zinc/12/83/59/426128359.db2.gz KFHYRXBMUVQESD-CQSZACIVSA-N 1 1 309.410 2.522 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000128679302 426129750 /nfs/dbraw/zinc/12/97/50/426129750.db2.gz KVWTVFZQKFAYOV-UHFFFAOYSA-N 1 1 318.352 2.981 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC=C(c3ccccc3F)CC2)n1 ZINC000127592411 426075153 /nfs/dbraw/zinc/07/51/53/426075153.db2.gz GMJKIBJCMGQJRM-UHFFFAOYSA-N 1 1 316.336 2.720 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000112442559 426079279 /nfs/dbraw/zinc/07/92/79/426079279.db2.gz DPKPWFYTHKSXPF-CYBMUJFWSA-N 1 1 322.409 2.687 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(F)c1 ZINC000131686100 426166405 /nfs/dbraw/zinc/16/64/05/426166405.db2.gz UXGWTIWKQVGKSS-OAHLLOKOSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(F)c1 ZINC000131686100 426166407 /nfs/dbraw/zinc/16/64/07/426166407.db2.gz UXGWTIWKQVGKSS-OAHLLOKOSA-N 1 1 317.320 2.782 20 5 DFBDMO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1O ZINC000080962962 426218111 /nfs/dbraw/zinc/21/81/11/426218111.db2.gz VKWDKWWXNVGISU-UHFFFAOYSA-N 1 1 302.330 2.941 20 5 DFBDMO COc1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1O ZINC000080962962 426218114 /nfs/dbraw/zinc/21/81/14/426218114.db2.gz VKWDKWWXNVGISU-UHFFFAOYSA-N 1 1 302.330 2.941 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000084439837 426237686 /nfs/dbraw/zinc/23/76/86/426237686.db2.gz DDZCTYKBQDCHKC-LLVKDONJSA-N 1 1 309.797 2.822 20 5 DFBDMO C[N@H+](Cc1ccccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136810636 426246904 /nfs/dbraw/zinc/24/69/04/426246904.db2.gz SSKNHTVQFSUYND-INIZCTEOSA-N 1 1 304.321 2.899 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173739459 426247878 /nfs/dbraw/zinc/24/78/78/426247878.db2.gz USVSZUDXTGSKQR-HNNXBMFYSA-N 1 1 319.405 2.518 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173794310 426248547 /nfs/dbraw/zinc/24/85/47/426248547.db2.gz AXBWNUFJYRZAFI-CQSZACIVSA-N 1 1 319.405 2.707 20 5 DFBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000150938231 426267916 /nfs/dbraw/zinc/26/79/16/426267916.db2.gz BHVHUMVYAJUHFH-ZDUSSCGKSA-N 1 1 320.393 2.694 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117333302 426211390 /nfs/dbraw/zinc/21/13/90/426211390.db2.gz DKSWJEHDXKDRRZ-GFCCVEGCSA-N 1 1 319.361 2.625 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121303502 426332792 /nfs/dbraw/zinc/33/27/92/426332792.db2.gz NZWDJKBYBVHFEO-CYBMUJFWSA-N 1 1 317.389 2.600 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121303502 426332794 /nfs/dbraw/zinc/33/27/94/426332794.db2.gz NZWDJKBYBVHFEO-CYBMUJFWSA-N 1 1 317.389 2.600 20 5 DFBDMO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153752970 426404748 /nfs/dbraw/zinc/40/47/48/426404748.db2.gz BBSNNQUEEIYLHQ-AWEZNQCLSA-N 1 1 309.410 2.522 20 5 DFBDMO COCCN(C)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153752970 426404756 /nfs/dbraw/zinc/40/47/56/426404756.db2.gz BBSNNQUEEIYLHQ-AWEZNQCLSA-N 1 1 309.410 2.522 20 5 DFBDMO Cc1cccc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000176215062 426361368 /nfs/dbraw/zinc/36/13/68/426361368.db2.gz LVZDWGGHRALZCH-HNNXBMFYSA-N 1 1 300.362 2.937 20 5 DFBDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCn1ccc([N+](=O)[O-])n1)CCC2 ZINC000176240036 426363554 /nfs/dbraw/zinc/36/35/54/426363554.db2.gz POBAEQZCJCHVFG-LBPRGKRZSA-N 1 1 321.406 2.566 20 5 DFBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000176261746 426364223 /nfs/dbraw/zinc/36/42/23/426364223.db2.gz LCYHOYQBELQKKV-LLVKDONJSA-N 1 1 323.422 2.812 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000122415288 426374652 /nfs/dbraw/zinc/37/46/52/426374652.db2.gz IDZYJELPXZAOGD-JTQLQIEISA-N 1 1 316.361 2.861 20 5 DFBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000122508288 426379024 /nfs/dbraw/zinc/37/90/24/426379024.db2.gz LJJKMJYGIGAQBC-STQMWFEESA-N 1 1 305.378 2.901 20 5 DFBDMO CCOCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123023453 426408587 /nfs/dbraw/zinc/40/85/87/426408587.db2.gz VBWHRWRTSUZNKF-UHFFFAOYSA-N 1 1 317.183 2.826 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000153829616 426409171 /nfs/dbraw/zinc/40/91/71/426409171.db2.gz SVHSEMFTVKFSKZ-ZYHUDNBSSA-N 1 1 312.801 2.810 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000340860412 269023571 /nfs/dbraw/zinc/02/35/71/269023571.db2.gz SEUBFOXHHDNFQI-LBPRGKRZSA-N 1 1 309.414 2.652 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000177246385 426459387 /nfs/dbraw/zinc/45/93/87/426459387.db2.gz IOXSARMQBMWPDP-HIFRSBDPSA-N 1 1 318.377 2.685 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCOc1ccc([N+](=O)[O-])cc1 ZINC000177330182 426469042 /nfs/dbraw/zinc/46/90/42/426469042.db2.gz BVKXNJDEHAVPOB-ZBFHGGJFSA-N 1 1 319.405 2.532 20 5 DFBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000177330182 426469046 /nfs/dbraw/zinc/46/90/46/426469046.db2.gz BVKXNJDEHAVPOB-ZBFHGGJFSA-N 1 1 319.405 2.532 20 5 DFBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000177330182 426469048 /nfs/dbraw/zinc/46/90/48/426469048.db2.gz BVKXNJDEHAVPOB-ZBFHGGJFSA-N 1 1 319.405 2.532 20 5 DFBDMO Cc1sc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155410258 426471582 /nfs/dbraw/zinc/47/15/82/426471582.db2.gz CYLSPINEKLKUSF-NEPJUHHUSA-N 1 1 323.418 2.521 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1CO ZINC000264214342 426518881 /nfs/dbraw/zinc/51/88/81/426518881.db2.gz UCEPKBMUBBYUDC-HNNXBMFYSA-N 1 1 308.378 2.729 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1CO ZINC000264214342 426518884 /nfs/dbraw/zinc/51/88/84/426518884.db2.gz UCEPKBMUBBYUDC-HNNXBMFYSA-N 1 1 308.378 2.729 20 5 DFBDMO CS[C@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272517525 426546273 /nfs/dbraw/zinc/54/62/73/426546273.db2.gz KLIIYTQYMFETKV-BXUZGUMPSA-N 1 1 320.418 2.759 20 5 DFBDMO CN(C(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000177525066 426492056 /nfs/dbraw/zinc/49/20/56/426492056.db2.gz IFDXSWBBXQUGEV-OKILXGFUSA-N 1 1 317.389 2.680 20 5 DFBDMO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCS1 ZINC000177523633 426492121 /nfs/dbraw/zinc/49/21/21/426492121.db2.gz KOQRTFZFWXSFOJ-UHFFFAOYSA-N 1 1 324.402 2.789 20 5 DFBDMO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCS1 ZINC000177523633 426492123 /nfs/dbraw/zinc/49/21/23/426492123.db2.gz KOQRTFZFWXSFOJ-UHFFFAOYSA-N 1 1 324.402 2.789 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280399305 426566816 /nfs/dbraw/zinc/56/68/16/426566816.db2.gz KSECBUFZQYDTDD-XJKCOSOUSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280399305 426566818 /nfs/dbraw/zinc/56/68/18/426566818.db2.gz KSECBUFZQYDTDD-XJKCOSOUSA-N 1 1 306.362 2.536 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280413705 426570023 /nfs/dbraw/zinc/57/00/23/426570023.db2.gz YRUDELPRTVFYEW-KRWDZBQOSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1cc(N2CC[C@H]([NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272851715 426574212 /nfs/dbraw/zinc/57/42/12/426574212.db2.gz ORGRHKHAJBSJFH-ZDUSSCGKSA-N 1 1 300.362 2.592 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOCC2(CCOCC2)C1 ZINC000273020373 426576568 /nfs/dbraw/zinc/57/65/68/426576568.db2.gz DMLZGUQWNPMRNF-AWEZNQCLSA-N 1 1 320.389 2.785 20 5 DFBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000280445725 426576750 /nfs/dbraw/zinc/57/67/50/426576750.db2.gz KTXKAINTSZCEBW-IYBDPMFKSA-N 1 1 324.384 2.558 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000272562074 426558500 /nfs/dbraw/zinc/55/85/00/426558500.db2.gz LWKQEKPYFWSOMT-OLZOCXBDSA-N 1 1 308.378 2.585 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC=C(C)C1 ZINC000280728190 426644430 /nfs/dbraw/zinc/64/44/30/426644430.db2.gz GPAXACLDROOINH-UHFFFAOYSA-N 1 1 303.362 2.884 20 5 DFBDMO CCC(=O)c1ccc(N2CC[C@@H](C[N@H+](C)CC)C2)c([N+](=O)[O-])c1 ZINC000280763708 426651754 /nfs/dbraw/zinc/65/17/54/426651754.db2.gz RAEYHJJZFWZABC-ZDUSSCGKSA-N 1 1 319.405 2.966 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273487917 426672926 /nfs/dbraw/zinc/67/29/26/426672926.db2.gz RSNALWKWDPUZCT-JTQLQIEISA-N 1 1 312.345 2.586 20 5 DFBDMO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000178411318 426623686 /nfs/dbraw/zinc/62/36/86/426623686.db2.gz SQYJEBMNTWGYPI-JOCHJYFZSA-N 1 1 318.398 2.964 20 5 DFBDMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000178411318 426623692 /nfs/dbraw/zinc/62/36/92/426623692.db2.gz SQYJEBMNTWGYPI-JOCHJYFZSA-N 1 1 318.398 2.964 20 5 DFBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c1 ZINC000290069244 426686012 /nfs/dbraw/zinc/68/60/12/426686012.db2.gz YEENVTQXLMLRKF-CYBMUJFWSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c1 ZINC000290069244 426686015 /nfs/dbraw/zinc/68/60/15/426686015.db2.gz YEENVTQXLMLRKF-CYBMUJFWSA-N 1 1 304.325 2.686 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000280933359 426689564 /nfs/dbraw/zinc/68/95/64/426689564.db2.gz HHHQPGDASSDNBD-KRWDZBQOSA-N 1 1 313.357 2.781 20 5 DFBDMO C[C@H]1c2cccn2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178855785 426707936 /nfs/dbraw/zinc/70/79/36/426707936.db2.gz BRYUQMXJPIBNFF-LRDDRELGSA-N 1 1 301.346 2.507 20 5 DFBDMO C[C@H]1c2cccn2CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178855785 426707940 /nfs/dbraw/zinc/70/79/40/426707940.db2.gz BRYUQMXJPIBNFF-LRDDRELGSA-N 1 1 301.346 2.507 20 5 DFBDMO C[C@@H](O)c1ncc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000290206815 426715972 /nfs/dbraw/zinc/71/59/72/426715972.db2.gz DNGIKONKBSRHFR-VHSXEESVSA-N 1 1 307.375 2.955 20 5 DFBDMO C[C@@H](C[NH+](C)C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000290217680 426718777 /nfs/dbraw/zinc/71/87/77/426718777.db2.gz WUOHATBWCQSALZ-LBPRGKRZSA-N 1 1 303.362 2.895 20 5 DFBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000266887684 426789716 /nfs/dbraw/zinc/78/97/16/426789716.db2.gz CQCQFQHKEGTTLV-CQSZACIVSA-N 1 1 318.377 2.501 20 5 DFBDMO CSc1cccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000188125433 426723907 /nfs/dbraw/zinc/72/39/07/426723907.db2.gz UTAHDNDCLGDXPW-SNVBAGLBSA-N 1 1 323.418 2.529 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245478576 426742605 /nfs/dbraw/zinc/74/26/05/426742605.db2.gz VPGBINCBNHFROG-ZFWWWQNUSA-N 1 1 321.421 2.908 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000266929622 426798912 /nfs/dbraw/zinc/79/89/12/426798912.db2.gz LXJKUHFMKVUQLS-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000179551149 426800340 /nfs/dbraw/zinc/80/03/40/426800340.db2.gz BQKKZHWMRIQKIU-CQSZACIVSA-N 1 1 319.405 2.734 20 5 DFBDMO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595587 426801416 /nfs/dbraw/zinc/80/14/16/426801416.db2.gz VPRBYZGIFIOTLB-UVMHCMFPSA-N 1 1 303.406 2.880 20 5 DFBDMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595587 426801421 /nfs/dbraw/zinc/80/14/21/426801421.db2.gz VPRBYZGIFIOTLB-UVMHCMFPSA-N 1 1 303.406 2.880 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595587 426801425 /nfs/dbraw/zinc/80/14/25/426801425.db2.gz VPRBYZGIFIOTLB-UVMHCMFPSA-N 1 1 303.406 2.880 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](C)O)CC1 ZINC000267087445 426821132 /nfs/dbraw/zinc/82/11/32/426821132.db2.gz ZXXFZHSAZVQYEV-LBPRGKRZSA-N 1 1 308.378 2.586 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000267100185 426823775 /nfs/dbraw/zinc/82/37/75/426823775.db2.gz SZSRXDXDKUAAGL-CQSZACIVSA-N 1 1 304.325 2.768 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000267185404 426838819 /nfs/dbraw/zinc/83/88/19/426838819.db2.gz CIUORKBXZZINBW-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CF)CC1 ZINC000295196345 426858167 /nfs/dbraw/zinc/85/81/67/426858167.db2.gz UOYSMCAXDCQCQP-LLVKDONJSA-N 1 1 309.341 2.603 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000282218188 426855307 /nfs/dbraw/zinc/85/53/07/426855307.db2.gz DUYDDPCXXAFPJI-ZYHUDNBSSA-N 1 1 312.341 2.742 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000282218188 426855309 /nfs/dbraw/zinc/85/53/09/426855309.db2.gz DUYDDPCXXAFPJI-ZYHUDNBSSA-N 1 1 312.341 2.742 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000266900328 426792975 /nfs/dbraw/zinc/79/29/75/426792975.db2.gz HZDUQIJSVLKTMX-UHFFFAOYSA-N 1 1 319.361 2.803 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](C)CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000188830254 426793392 /nfs/dbraw/zinc/79/33/92/426793392.db2.gz ZPMONMGGJHNUDK-UHFFFAOYSA-N 1 1 322.405 2.692 20 5 DFBDMO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000266917974 426796764 /nfs/dbraw/zinc/79/67/64/426796764.db2.gz HDBZJMJWNQQYFC-GFCCVEGCSA-N 1 1 305.378 2.678 20 5 DFBDMO COC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000189481285 426866369 /nfs/dbraw/zinc/86/63/69/426866369.db2.gz VLWHEJFEFCGWSX-YDHLFZDLSA-N 1 1 308.378 2.700 20 5 DFBDMO COC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000189481285 426866376 /nfs/dbraw/zinc/86/63/76/426866376.db2.gz VLWHEJFEFCGWSX-YDHLFZDLSA-N 1 1 308.378 2.700 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000246950742 426882735 /nfs/dbraw/zinc/88/27/35/426882735.db2.gz LVYXRWHHYYBOIY-ZFWWWQNUSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1nn(C)c(Cl)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282330367 426885033 /nfs/dbraw/zinc/88/50/33/426885033.db2.gz AWVDSZVBCJKZRV-UHFFFAOYSA-N 1 1 322.796 2.965 20 5 DFBDMO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282330367 426885041 /nfs/dbraw/zinc/88/50/41/426885041.db2.gz AWVDSZVBCJKZRV-UHFFFAOYSA-N 1 1 322.796 2.965 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)CC(F)(F)F)C2CC2)c1 ZINC000189577782 426895271 /nfs/dbraw/zinc/89/52/71/426895271.db2.gz NEJFGDZXWACOKJ-ZDUSSCGKSA-N 1 1 318.295 2.873 20 5 DFBDMO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282415206 426907382 /nfs/dbraw/zinc/90/73/82/426907382.db2.gz IVXCKOMCAJPJLS-ZIAGYGMSSA-N 1 1 321.421 2.762 20 5 DFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H](O)C(F)(F)F ZINC000189862969 426966396 /nfs/dbraw/zinc/96/63/96/426966396.db2.gz LRJPFHHEQIIMDR-LBPRGKRZSA-N 1 1 306.284 2.648 20 5 DFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H](O)C(F)(F)F ZINC000189862969 426966403 /nfs/dbraw/zinc/96/64/03/426966403.db2.gz LRJPFHHEQIIMDR-LBPRGKRZSA-N 1 1 306.284 2.648 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000248342322 426990927 /nfs/dbraw/zinc/99/09/27/426990927.db2.gz JMKGHPNGYLRGID-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000275836180 426930434 /nfs/dbraw/zinc/93/04/34/426930434.db2.gz MTJMGUXRZJVLTN-UHFFFAOYSA-N 1 1 316.361 2.653 20 5 DFBDMO CC(=O)c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268158124 426930510 /nfs/dbraw/zinc/93/05/10/426930510.db2.gz OACANTCUCLXCIC-MEBBXXQBSA-N 1 1 303.362 2.692 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000248456086 427005307 /nfs/dbraw/zinc/00/53/07/427005307.db2.gz LIRJVLAPYZZZIL-GJZGRUSLSA-N 1 1 320.389 2.599 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000276436023 427067052 /nfs/dbraw/zinc/06/70/52/427067052.db2.gz QPGGMAFKUPJAGP-RWMBFGLXSA-N 1 1 306.362 2.787 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000249025015 427077803 /nfs/dbraw/zinc/07/78/03/427077803.db2.gz LHGNSHRBFCIBTP-NWDGAFQWSA-N 1 1 323.418 2.749 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCS[C@@H](C)CC1 ZINC000249025015 427077808 /nfs/dbraw/zinc/07/78/08/427077808.db2.gz LHGNSHRBFCIBTP-NWDGAFQWSA-N 1 1 323.418 2.749 20 5 DFBDMO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000292127057 427102039 /nfs/dbraw/zinc/10/20/39/427102039.db2.gz IJNMMGCVLGUAJY-SECBINFHSA-N 1 1 317.183 2.560 20 5 DFBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276603118 427112965 /nfs/dbraw/zinc/11/29/65/427112965.db2.gz KUBBFPDHKYRJHR-GFCCVEGCSA-N 1 1 300.362 2.531 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292164618 427115381 /nfs/dbraw/zinc/11/53/81/427115381.db2.gz OZXNXXTVEPDHLS-MRXNPFEDSA-N 1 1 304.390 2.886 20 5 DFBDMO C[C@H]1CCSCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276801823 427123438 /nfs/dbraw/zinc/12/34/38/427123438.db2.gz MPVZFPUCQJGJHB-NSHDSACASA-N 1 1 324.402 2.789 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000296258486 427127961 /nfs/dbraw/zinc/12/79/61/427127961.db2.gz OAYDZCGQQGUZIO-IUODEOHRSA-N 1 1 308.378 2.727 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000296258486 427127967 /nfs/dbraw/zinc/12/79/67/427127967.db2.gz OAYDZCGQQGUZIO-IUODEOHRSA-N 1 1 308.378 2.727 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249606797 427134362 /nfs/dbraw/zinc/13/43/62/427134362.db2.gz ZXHWDJXTUWWAJB-IUODEOHRSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249606797 427134367 /nfs/dbraw/zinc/13/43/67/427134367.db2.gz ZXHWDJXTUWWAJB-IUODEOHRSA-N 1 1 308.378 2.585 20 5 DFBDMO COC(=O)[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182739260 427134955 /nfs/dbraw/zinc/13/49/55/427134955.db2.gz VKDIVQYTNQNOKR-OLZOCXBDSA-N 1 1 306.362 2.849 20 5 DFBDMO Cc1cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000250115282 427155401 /nfs/dbraw/zinc/15/54/01/427155401.db2.gz PCYCUGHJHOBHBE-TZMCWYRMSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174852787 271141126 /nfs/dbraw/zinc/14/11/26/271141126.db2.gz ZDUXOMVDYHCDBW-SNVBAGLBSA-N 1 1 309.395 2.558 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc([N+](=O)[O-])c1C ZINC000175036719 271145383 /nfs/dbraw/zinc/14/53/83/271145383.db2.gz OKRUTAYZFHTYCP-HZPDHXFCSA-N 1 1 303.406 2.962 20 5 DFBDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270481755 271295945 /nfs/dbraw/zinc/29/59/45/271295945.db2.gz FXLGPDDCBJIEJN-UKRRQHHQSA-N 1 1 307.394 2.657 20 5 DFBDMO CCCCOC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000278819903 271320337 /nfs/dbraw/zinc/32/03/37/271320337.db2.gz XSVPCZSMLBIKLA-KRWDZBQOSA-N 1 1 324.421 2.983 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1 ZINC000292437563 427182884 /nfs/dbraw/zinc/18/28/84/427182884.db2.gz YBWCPCMOUCBKIC-GFCCVEGCSA-N 1 1 304.394 2.609 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000292575542 427193948 /nfs/dbraw/zinc/19/39/48/427193948.db2.gz RTCUERWIEHDTBW-OLZOCXBDSA-N 1 1 322.409 2.684 20 5 DFBDMO Cc1cnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000269440632 427198273 /nfs/dbraw/zinc/19/82/73/427198273.db2.gz SMPXSYBHOYAFCL-UKRRQHHQSA-N 1 1 316.405 2.751 20 5 DFBDMO C[N@H+](Cc1ccc(Cl)nc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269629409 427234629 /nfs/dbraw/zinc/23/46/29/427234629.db2.gz DVSJTABNYZNKSJ-AWEZNQCLSA-N 1 1 321.764 2.809 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000293168653 427235034 /nfs/dbraw/zinc/23/50/34/427235034.db2.gz CUEOADBEMCOIAQ-HNNXBMFYSA-N 1 1 318.348 2.769 20 5 DFBDMO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454127 427237472 /nfs/dbraw/zinc/23/74/72/427237472.db2.gz YIKLJZHNHKGVHV-BMIGLBTASA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454127 427237478 /nfs/dbraw/zinc/23/74/78/427237478.db2.gz YIKLJZHNHKGVHV-BMIGLBTASA-N 1 1 314.332 2.856 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C)(C)CC1 ZINC000330446250 427242022 /nfs/dbraw/zinc/24/20/22/427242022.db2.gz HFMNZVNNJQVTIY-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[N@@H+]1CC[C@H](N(C)Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330454910 427242586 /nfs/dbraw/zinc/24/25/86/427242586.db2.gz NNOOBXZBCUAEKO-OCCSQVGLSA-N 1 1 307.394 2.605 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330454910 427242591 /nfs/dbraw/zinc/24/25/91/427242591.db2.gz NNOOBXZBCUAEKO-OCCSQVGLSA-N 1 1 307.394 2.605 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c(F)c1 ZINC000330453585 427243055 /nfs/dbraw/zinc/24/30/55/427243055.db2.gz LLZGXKAZDXUHGA-CYBMUJFWSA-N 1 1 308.353 2.982 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000183357030 427254551 /nfs/dbraw/zinc/25/45/51/427254551.db2.gz SABNDBQXKDQLCU-AWEZNQCLSA-N 1 1 300.362 2.626 20 5 DFBDMO COc1cccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000269719328 427260912 /nfs/dbraw/zinc/26/09/12/427260912.db2.gz SXYNURSEIHUECP-QGZVFWFLSA-N 1 1 316.357 2.769 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000269758882 427272511 /nfs/dbraw/zinc/27/25/11/427272511.db2.gz ILWWKSQDAFYYDD-ZIAGYGMSSA-N 1 1 315.377 2.660 20 5 DFBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000277696388 427287354 /nfs/dbraw/zinc/28/73/54/427287354.db2.gz VWCBAIGAYPFARC-HNNXBMFYSA-N 1 1 318.377 2.733 20 5 DFBDMO CCc1ccc([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000293418400 427317917 /nfs/dbraw/zinc/31/79/17/427317917.db2.gz SNMFDROGEYWGEV-INIZCTEOSA-N 1 1 314.389 2.843 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000293430190 427324058 /nfs/dbraw/zinc/32/40/58/427324058.db2.gz JGAMNKVGXZFJMD-GFCCVEGCSA-N 1 1 318.295 2.960 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000293430190 427324061 /nfs/dbraw/zinc/32/40/61/427324061.db2.gz JGAMNKVGXZFJMD-GFCCVEGCSA-N 1 1 318.295 2.960 20 5 DFBDMO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000285753880 427328076 /nfs/dbraw/zinc/32/80/76/427328076.db2.gz QZCUSRFGGVNBRH-JTQLQIEISA-N 1 1 323.299 2.998 20 5 DFBDMO Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262125977 427349370 /nfs/dbraw/zinc/34/93/70/427349370.db2.gz KZJUXYNFQFNFPC-VXGBXAGGSA-N 1 1 300.362 2.625 20 5 DFBDMO Cc1c(C[N@H+]2CCOCC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000184086378 427388991 /nfs/dbraw/zinc/38/89/91/427388991.db2.gz OPXZNOWOUYDRRE-UHFFFAOYSA-N 1 1 320.389 2.532 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000191669651 427401777 /nfs/dbraw/zinc/40/17/77/427401777.db2.gz LSXYWDAPYRPSFU-QGZVFWFLSA-N 1 1 322.405 2.976 20 5 DFBDMO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C)CO ZINC000293700372 427408735 /nfs/dbraw/zinc/40/87/35/427408735.db2.gz RLLVLCRQQJVNNN-NSHDSACASA-N 1 1 321.402 2.921 20 5 DFBDMO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C)CO ZINC000293700372 427408740 /nfs/dbraw/zinc/40/87/40/427408740.db2.gz RLLVLCRQQJVNNN-NSHDSACASA-N 1 1 321.402 2.921 20 5 DFBDMO Cn1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000278805047 427457508 /nfs/dbraw/zinc/45/75/08/427457508.db2.gz RTYLIMGNFGSOLL-UHFFFAOYSA-N 1 1 314.267 2.637 20 5 DFBDMO CC[N@@H+](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000338772642 427479679 /nfs/dbraw/zinc/47/96/79/427479679.db2.gz ZUPBNFKNOLAOAP-UHFFFAOYSA-N 1 1 313.785 2.708 20 5 DFBDMO CO[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000271173396 427430603 /nfs/dbraw/zinc/43/06/03/427430603.db2.gz IEXZLBANGRXWGL-AWEZNQCLSA-N 1 1 319.386 2.939 20 5 DFBDMO CO[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000271173396 427430611 /nfs/dbraw/zinc/43/06/11/427430611.db2.gz IEXZLBANGRXWGL-AWEZNQCLSA-N 1 1 319.386 2.939 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271191677 427443230 /nfs/dbraw/zinc/44/32/30/427443230.db2.gz PWCZKNOEQJKMCR-WCQYABFASA-N 1 1 318.295 2.791 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271191677 427443232 /nfs/dbraw/zinc/44/32/32/427443232.db2.gz PWCZKNOEQJKMCR-WCQYABFASA-N 1 1 318.295 2.791 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000192168213 427494218 /nfs/dbraw/zinc/49/42/18/427494218.db2.gz ADQCAUCVPNBAFA-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@@H](C)CC1 ZINC000192168213 427494223 /nfs/dbraw/zinc/49/42/23/427494223.db2.gz ADQCAUCVPNBAFA-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO CCc1nc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000184749226 427533647 /nfs/dbraw/zinc/53/36/47/427533647.db2.gz DMKVTZCMSUBQDM-HZMBPMFUSA-N 1 1 321.402 2.998 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000332222199 427549515 /nfs/dbraw/zinc/54/95/15/427549515.db2.gz AUAMIMDCPDHDLY-KGLIPLIRSA-N 1 1 323.780 2.605 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000332454869 427615308 /nfs/dbraw/zinc/61/53/08/427615308.db2.gz GGOVBWRKPSNFLG-LSDHHAIUSA-N 1 1 319.405 2.532 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341766028 271892978 /nfs/dbraw/zinc/89/29/78/271892978.db2.gz FAOXSOWQWNURGP-DOMZBBRYSA-N 1 1 305.378 2.646 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332290758 427571178 /nfs/dbraw/zinc/57/11/78/427571178.db2.gz JIZYLFLQKZNXJB-YPMHNXCESA-N 1 1 301.350 2.654 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(CC(F)F)CC1 ZINC000271593140 427579746 /nfs/dbraw/zinc/57/97/46/427579746.db2.gz RWNGFIVTKXYBGV-LBPRGKRZSA-N 1 1 313.348 2.929 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(CC(F)F)CC1 ZINC000271593140 427579755 /nfs/dbraw/zinc/57/97/55/427579755.db2.gz RWNGFIVTKXYBGV-LBPRGKRZSA-N 1 1 313.348 2.929 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000271671959 427581281 /nfs/dbraw/zinc/58/12/81/427581281.db2.gz BDFXQACCZSVBQS-YDHLFZDLSA-N 1 1 319.405 2.940 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000271671950 427582317 /nfs/dbraw/zinc/58/23/17/427582317.db2.gz BDFXQACCZSVBQS-IPYPFGDCSA-N 1 1 319.405 2.940 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCC[C@H](C)C1 ZINC000298494268 427630561 /nfs/dbraw/zinc/63/05/61/427630561.db2.gz LHARXVJHGIXTNT-QWRGUYRKSA-N 1 1 311.407 2.507 20 5 DFBDMO COCCC[N@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192901403 427633112 /nfs/dbraw/zinc/63/31/12/427633112.db2.gz HXQQIHBQRXRSBE-KRWDZBQOSA-N 1 1 321.421 2.530 20 5 DFBDMO COCCC[N@@H+](C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192901403 427633118 /nfs/dbraw/zinc/63/31/18/427633118.db2.gz HXQQIHBQRXRSBE-KRWDZBQOSA-N 1 1 321.421 2.530 20 5 DFBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000264059534 427646740 /nfs/dbraw/zinc/64/67/40/427646740.db2.gz DFJSIOQFKSATRY-GFCCVEGCSA-N 1 1 300.362 2.531 20 5 DFBDMO CC(C)[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298630110 427663461 /nfs/dbraw/zinc/66/34/61/427663461.db2.gz VIWURRJBNFZKJR-UHFFFAOYSA-N 1 1 317.345 2.507 20 5 DFBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000342565688 272025424 /nfs/dbraw/zinc/02/54/24/272025424.db2.gz HNROUBHKVZGIBF-LBPRGKRZSA-N 1 1 305.334 2.737 20 5 DFBDMO COc1cc(C[N@@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000342582202 272027642 /nfs/dbraw/zinc/02/76/42/272027642.db2.gz GIKXNFRTYQTPBY-GFCCVEGCSA-N 1 1 312.341 2.743 20 5 DFBDMO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000294991087 427669094 /nfs/dbraw/zinc/66/90/94/427669094.db2.gz QRNQNELFMVAXGG-JTQLQIEISA-N 1 1 310.785 2.564 20 5 DFBDMO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000343066225 272081624 /nfs/dbraw/zinc/08/16/24/272081624.db2.gz BFRRIFCPEVPSQO-QWHCGFSZSA-N 1 1 305.378 2.588 20 5 DFBDMO COc1cccc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000185553723 427671761 /nfs/dbraw/zinc/67/17/61/427671761.db2.gz QOQFHRQBOQCFMA-ZDUSSCGKSA-N 1 1 307.394 2.993 20 5 DFBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000343463533 272152973 /nfs/dbraw/zinc/15/29/73/272152973.db2.gz UDJJEHJJUYZWFH-MFKMUULPSA-N 1 1 323.418 2.529 20 5 DFBDMO CCC1(CC)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343623124 272186459 /nfs/dbraw/zinc/18/64/59/272186459.db2.gz XLIGDOKUSROZCG-AWEZNQCLSA-N 1 1 322.405 2.847 20 5 DFBDMO COC[C@@H]1C[C@@H](OC)C[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000343892326 272233353 /nfs/dbraw/zinc/23/33/53/272233353.db2.gz YDXXXTAGQKLSGW-RVDBLKIQSA-N 1 1 320.389 2.734 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000343914692 272237183 /nfs/dbraw/zinc/23/71/83/272237183.db2.gz NXULTNGBRFEVGT-JTQLQIEISA-N 1 1 309.395 2.590 20 5 DFBDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000343957234 272242985 /nfs/dbraw/zinc/24/29/85/272242985.db2.gz DUMOMAUKAPXTNH-HNNXBMFYSA-N 1 1 318.377 2.883 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000344065478 272254670 /nfs/dbraw/zinc/25/46/70/272254670.db2.gz OKMJZRBIYPPDAX-CABCVRRESA-N 1 1 320.389 2.623 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344127816 272269593 /nfs/dbraw/zinc/26/95/93/272269593.db2.gz WSNXNRHNJYLOMI-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO COc1cc(C[N@@H+](C)CCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000344166291 272278161 /nfs/dbraw/zinc/27/81/61/272278161.db2.gz RNBSRHJKBRQIGS-UHFFFAOYSA-N 1 1 316.357 2.984 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000344167928 272278371 /nfs/dbraw/zinc/27/83/71/272278371.db2.gz UTPZKINNLFVFQP-ZIAGYGMSSA-N 1 1 322.405 2.703 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H]1c1cccnc1 ZINC000344243300 272295823 /nfs/dbraw/zinc/29/58/23/272295823.db2.gz BATSGQLSFUUCHN-IRXDYDNUSA-N 1 1 313.357 2.952 20 5 DFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1c1cccnc1 ZINC000344244735 272295833 /nfs/dbraw/zinc/29/58/33/272295833.db2.gz KYCXTYFWOKHQRQ-SJORKVTESA-N 1 1 313.357 2.952 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1CO ZINC000339121924 427685708 /nfs/dbraw/zinc/68/57/08/427685708.db2.gz AMVDLAIOAMRXHF-MWLCHTKSSA-N 1 1 318.295 2.674 20 5 DFBDMO Cc1c(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000298763456 427699451 /nfs/dbraw/zinc/69/94/51/427699451.db2.gz VPVQLPQBJVQQQW-ZFWWWQNUSA-N 1 1 318.377 2.652 20 5 DFBDMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193557813 427699630 /nfs/dbraw/zinc/69/96/30/427699630.db2.gz YAXQDXKXDSWWAY-KRWDZBQOSA-N 1 1 324.421 2.839 20 5 DFBDMO COCC1=CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185833987 427717775 /nfs/dbraw/zinc/71/77/75/427717775.db2.gz LHAVDBFYUQDTCF-UHFFFAOYSA-N 1 1 306.362 2.642 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000301178590 427780153 /nfs/dbraw/zinc/78/01/53/427780153.db2.gz GYCUEGACLCEQKJ-STQMWFEESA-N 1 1 322.409 2.598 20 5 DFBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000279955104 427727361 /nfs/dbraw/zinc/72/73/61/427727361.db2.gz XXMXUYFVUGVUGR-DXCKQFNASA-N 1 1 320.389 2.672 20 5 DFBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000279955104 427727367 /nfs/dbraw/zinc/72/73/67/427727367.db2.gz XXMXUYFVUGVUGR-DXCKQFNASA-N 1 1 320.389 2.672 20 5 DFBDMO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334041861 427731563 /nfs/dbraw/zinc/73/15/63/427731563.db2.gz FCINFSJZFCAUMA-JQWIXIFHSA-N 1 1 323.418 2.529 20 5 DFBDMO Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301376211 427792205 /nfs/dbraw/zinc/79/22/05/427792205.db2.gz VXEVKNUJUIDBIF-JLJPHGGASA-N 1 1 301.390 2.824 20 5 DFBDMO Cc1ccc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301449989 427797414 /nfs/dbraw/zinc/79/74/14/427797414.db2.gz SJGWKARGNQGQLI-OKILXGFUSA-N 1 1 307.394 2.814 20 5 DFBDMO Cc1nc(NCCNc2ccccc2[N+](=O)[O-])c(C)c(C)[nH+]1 ZINC000301454888 427797546 /nfs/dbraw/zinc/79/75/46/427797546.db2.gz VXSYREMGOJVXSH-UHFFFAOYSA-N 1 1 301.350 2.834 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301462297 427797755 /nfs/dbraw/zinc/79/77/55/427797755.db2.gz FFZXVXAYTQYRLP-JLJPHGGASA-N 1 1 301.390 2.824 20 5 DFBDMO Cc1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301479979 427798394 /nfs/dbraw/zinc/79/83/94/427798394.db2.gz RHMWNXHUHIZKQE-SOUVJXGZSA-N 1 1 301.390 2.824 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301507255 427800754 /nfs/dbraw/zinc/80/07/54/427800754.db2.gz AEQMYMRYNPUVSN-ZDUSSCGKSA-N 1 1 321.377 2.668 20 5 DFBDMO CC1=CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000339629788 427805114 /nfs/dbraw/zinc/80/51/14/427805114.db2.gz RSPVGJDAMVFMEG-UHFFFAOYSA-N 1 1 317.345 2.545 20 5 DFBDMO CCOc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000301590209 427807900 /nfs/dbraw/zinc/80/79/00/427807900.db2.gz QHJLKQCUFVLWGN-OCCSQVGLSA-N 1 1 305.378 2.666 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301593756 427807942 /nfs/dbraw/zinc/80/79/42/427807942.db2.gz FAAKSFAICMAKAK-ZWNOBZJWSA-N 1 1 308.338 2.644 20 5 DFBDMO Cc1nc(NCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301641909 427811611 /nfs/dbraw/zinc/81/16/11/427811611.db2.gz MOMQSVLLZFNLBZ-UHFFFAOYSA-N 1 1 300.362 2.842 20 5 DFBDMO COc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000301646120 427812061 /nfs/dbraw/zinc/81/20/61/427812061.db2.gz PKVRPCZGDVNOPS-GXFFZTMASA-N 1 1 311.357 2.883 20 5 DFBDMO CC(C)[C@]1(CO)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000339701414 427815071 /nfs/dbraw/zinc/81/50/71/427815071.db2.gz HTRKUMUBVBACAC-MRXNPFEDSA-N 1 1 310.369 2.964 20 5 DFBDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000339701414 427815073 /nfs/dbraw/zinc/81/50/73/427815073.db2.gz HTRKUMUBVBACAC-MRXNPFEDSA-N 1 1 310.369 2.964 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000301786728 427824381 /nfs/dbraw/zinc/82/43/81/427824381.db2.gz WHVAPRNGZISNDK-UHFFFAOYSA-N 1 1 321.421 2.698 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1CC1CCC1 ZINC000339775786 427827447 /nfs/dbraw/zinc/82/74/47/427827447.db2.gz MOUQKVUYQAEEFY-AWEZNQCLSA-N 1 1 306.362 2.691 20 5 DFBDMO COc1cc(NCC[N@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301899340 427835941 /nfs/dbraw/zinc/83/59/41/427835941.db2.gz XVSFQOPESFQKHF-NSHDSACASA-N 1 1 311.357 2.886 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359419048 427844029 /nfs/dbraw/zinc/84/40/29/427844029.db2.gz LJIGOSQSYJERPI-OKILXGFUSA-N 1 1 319.405 2.516 20 5 DFBDMO COCC[N@H+]1CCC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302758629 427864896 /nfs/dbraw/zinc/86/48/96/427864896.db2.gz JKDMSQMOKMZHPS-GFCCVEGCSA-N 1 1 313.785 2.771 20 5 DFBDMO COC(=O)COc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355744847 427873166 /nfs/dbraw/zinc/87/31/66/427873166.db2.gz ZDPKUDGBYCUZNS-TXEJJXNPSA-N 1 1 322.361 2.519 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355787202 427895058 /nfs/dbraw/zinc/89/50/58/427895058.db2.gz UIIOMPCMXHKNME-KRWDZBQOSA-N 1 1 320.389 2.866 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000349961369 427905884 /nfs/dbraw/zinc/90/58/84/427905884.db2.gz GPSLRICKTXYKAJ-QWHCGFSZSA-N 1 1 318.295 2.791 20 5 DFBDMO COC(=O)c1ccc(OCC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000340667107 427921364 /nfs/dbraw/zinc/92/13/64/427921364.db2.gz MMUWEVFNMAUMED-ZDUSSCGKSA-N 1 1 322.361 2.635 20 5 DFBDMO COC(=O)c1ccc(OCC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000340667106 427921437 /nfs/dbraw/zinc/92/14/37/427921437.db2.gz MMUWEVFNMAUMED-CYBMUJFWSA-N 1 1 322.361 2.635 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413197433 427988069 /nfs/dbraw/zinc/98/80/69/427988069.db2.gz GRBOZNIFJSXWST-GFCCVEGCSA-N 1 1 310.373 2.909 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345876233 427936895 /nfs/dbraw/zinc/93/68/95/427936895.db2.gz DHIKFLXJJZGUMX-VXGBXAGGSA-N 1 1 306.366 2.541 20 5 DFBDMO C[N@@H+](CCCCNc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000413347862 428028250 /nfs/dbraw/zinc/02/82/50/428028250.db2.gz MCJDVAYNNAFHPU-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DFBDMO Cc1ccc(N(C)C[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000376973128 428035109 /nfs/dbraw/zinc/03/51/09/428035109.db2.gz UFHDMHHJPVBYCY-ZDUSSCGKSA-N 1 1 300.362 2.799 20 5 DFBDMO Cc1c(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000369766433 428055534 /nfs/dbraw/zinc/05/55/34/428055534.db2.gz LRKNOXJSVPNVFC-IAGOWNOFSA-N 1 1 303.406 2.962 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000377175208 428076045 /nfs/dbraw/zinc/07/60/45/428076045.db2.gz HAGGWKZFAXERCS-KFWWJZLASA-N 1 1 320.389 2.599 20 5 DFBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000369936729 428093535 /nfs/dbraw/zinc/09/35/35/428093535.db2.gz MVWVCDGCTIZLIJ-HUUCEWRRSA-N 1 1 317.389 2.514 20 5 DFBDMO CCCCC[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341576212 428112321 /nfs/dbraw/zinc/11/23/21/428112321.db2.gz OZBILVQTDXYQMY-AWEZNQCLSA-N 1 1 307.394 2.801 20 5 DFBDMO Cc1csc([C@@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370024780 428114092 /nfs/dbraw/zinc/11/40/92/428114092.db2.gz AVWZXEKBKFLIJL-LBPRGKRZSA-N 1 1 321.406 2.783 20 5 DFBDMO Cc1csc([C@@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370024780 428114096 /nfs/dbraw/zinc/11/40/96/428114096.db2.gz AVWZXEKBKFLIJL-LBPRGKRZSA-N 1 1 321.406 2.783 20 5 DFBDMO CC1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000377388238 428118745 /nfs/dbraw/zinc/11/87/45/428118745.db2.gz DDVYRLFBZUBDDM-UHFFFAOYSA-N 1 1 308.378 2.865 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+]([C@@H]3C[C@H]3c3ccccc3)C2)c1 ZINC000377395599 428119708 /nfs/dbraw/zinc/11/97/08/428119708.db2.gz FSQGHIQSNYJYBJ-HYVNUMGLSA-N 1 1 312.373 2.984 20 5 DFBDMO C[C@H]1C[C@H](c2cccs2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046819 428120689 /nfs/dbraw/zinc/12/06/89/428120689.db2.gz TZUOCQKBEGAZDK-QWRGUYRKSA-N 1 1 306.391 2.768 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346343079 428135329 /nfs/dbraw/zinc/13/53/29/428135329.db2.gz VLUJIDYLTLFRLG-LXZKKBNFSA-N 1 1 304.390 2.921 20 5 DFBDMO CCC(CC)NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543418 428143112 /nfs/dbraw/zinc/14/31/12/428143112.db2.gz FECHJVFYTSDIGI-ZDUSSCGKSA-N 1 1 321.421 2.762 20 5 DFBDMO CCC(CC)NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543418 428143117 /nfs/dbraw/zinc/14/31/17/428143117.db2.gz FECHJVFYTSDIGI-ZDUSSCGKSA-N 1 1 321.421 2.762 20 5 DFBDMO Cc1ccccc1[C@@]1(F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370149883 428144531 /nfs/dbraw/zinc/14/45/31/428144531.db2.gz QBOOPCJWVPSXDF-MRXNPFEDSA-N 1 1 318.352 2.670 20 5 DFBDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370149883 428144540 /nfs/dbraw/zinc/14/45/40/428144540.db2.gz QBOOPCJWVPSXDF-MRXNPFEDSA-N 1 1 318.352 2.670 20 5 DFBDMO CCc1nc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000360155889 428185148 /nfs/dbraw/zinc/18/51/48/428185148.db2.gz BIWYOVYMJYZOIO-ZDUSSCGKSA-N 1 1 316.361 2.920 20 5 DFBDMO CCc1nc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000360155889 428185153 /nfs/dbraw/zinc/18/51/53/428185153.db2.gz BIWYOVYMJYZOIO-ZDUSSCGKSA-N 1 1 316.361 2.920 20 5 DFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000377609934 428170962 /nfs/dbraw/zinc/17/09/62/428170962.db2.gz ZVDSVWYBYMFSTE-INIZCTEOSA-N 1 1 308.378 2.588 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCC1CCOCC1)CCO2 ZINC000352712335 428216366 /nfs/dbraw/zinc/21/63/66/428216366.db2.gz ZJQAXJRUMYJJRJ-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCC1CCOCC1)CCO2 ZINC000352712335 428216368 /nfs/dbraw/zinc/21/63/68/428216368.db2.gz ZJQAXJRUMYJJRJ-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000352766842 428236803 /nfs/dbraw/zinc/23/68/03/428236803.db2.gz DDYVMLCZEPPXDC-GUYCJALGSA-N 1 1 317.389 2.566 20 5 DFBDMO Cc1c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000360356597 428266288 /nfs/dbraw/zinc/26/62/88/428266288.db2.gz WXWFJBLNEXWGFR-HOTGVXAUSA-N 1 1 317.389 2.602 20 5 DFBDMO C[C@@H]1C[C@@H](c2ccsc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000377954037 428268476 /nfs/dbraw/zinc/26/84/76/428268476.db2.gz MZYXAKYOKKMUCP-DGCLKSJQSA-N 1 1 306.391 2.731 20 5 DFBDMO Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352879323 428291743 /nfs/dbraw/zinc/29/17/43/428291743.db2.gz WCZYVLFUDXRXHC-WCQYABFASA-N 1 1 306.366 2.507 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000352884265 428294504 /nfs/dbraw/zinc/29/45/04/428294504.db2.gz RORDGAXOKUZWJD-OLZOCXBDSA-N 1 1 320.393 2.850 20 5 DFBDMO Cc1cnn(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000341905085 428246423 /nfs/dbraw/zinc/24/64/23/428246423.db2.gz BMFREIFYIMLAAL-UHFFFAOYSA-N 1 1 300.362 2.764 20 5 DFBDMO Cc1cnn(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000341905085 428246429 /nfs/dbraw/zinc/24/64/29/428246429.db2.gz BMFREIFYIMLAAL-UHFFFAOYSA-N 1 1 300.362 2.764 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCc2c(cnn2C)C1 ZINC000414470034 428308099 /nfs/dbraw/zinc/30/80/99/428308099.db2.gz HUZJALNBDHLLJM-UHFFFAOYSA-N 1 1 300.362 2.585 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000414470034 428308107 /nfs/dbraw/zinc/30/81/07/428308107.db2.gz HUZJALNBDHLLJM-UHFFFAOYSA-N 1 1 300.362 2.585 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000353000584 428347704 /nfs/dbraw/zinc/34/77/04/428347704.db2.gz ZJQIUTPBCNESQE-IUODEOHRSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000353000584 428347708 /nfs/dbraw/zinc/34/77/08/428347708.db2.gz ZJQIUTPBCNESQE-IUODEOHRSA-N 1 1 310.369 2.963 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000353145411 428402982 /nfs/dbraw/zinc/40/29/82/428402982.db2.gz WEAQBFPVWYXQDL-INIZCTEOSA-N 1 1 321.421 2.958 20 5 DFBDMO CCCN1CCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000353145411 428402987 /nfs/dbraw/zinc/40/29/87/428402987.db2.gz WEAQBFPVWYXQDL-INIZCTEOSA-N 1 1 321.421 2.958 20 5 DFBDMO CC(C)[C@H](N)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414792065 428414466 /nfs/dbraw/zinc/41/44/66/428414466.db2.gz IMDJAHRCJLDVHN-BMFZPTHFSA-N 1 1 305.422 2.879 20 5 DFBDMO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000357101474 428386815 /nfs/dbraw/zinc/38/68/15/428386815.db2.gz PZTLPVCDSHRLNC-ZIAGYGMSSA-N 1 1 324.425 2.744 20 5 DFBDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000357101474 428386817 /nfs/dbraw/zinc/38/68/17/428386817.db2.gz PZTLPVCDSHRLNC-ZIAGYGMSSA-N 1 1 324.425 2.744 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000414866145 428439043 /nfs/dbraw/zinc/43/90/43/428439043.db2.gz MFKVBBROYQHTQN-IMJJTQAJSA-N 1 1 303.406 2.648 20 5 DFBDMO Cc1nnc([C@@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000372727982 428496556 /nfs/dbraw/zinc/49/65/56/428496556.db2.gz PFLGRVOJHRPUSS-HNNXBMFYSA-N 1 1 315.377 2.791 20 5 DFBDMO Cc1nnc([C@@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000372727982 428496561 /nfs/dbraw/zinc/49/65/61/428496561.db2.gz PFLGRVOJHRPUSS-HNNXBMFYSA-N 1 1 315.377 2.791 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000360960838 428509814 /nfs/dbraw/zinc/50/98/14/428509814.db2.gz NHGWLTMNDOKQBR-RYUDHWBXSA-N 1 1 309.414 2.652 20 5 DFBDMO C[C@H]([NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353391237 428518735 /nfs/dbraw/zinc/51/87/35/428518735.db2.gz BJNSLHMMFNBEPR-NHYWBVRUSA-N 1 1 300.362 2.806 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)n1 ZINC000373243017 428526388 /nfs/dbraw/zinc/52/63/88/428526388.db2.gz MYYLSEXDCBVAJV-UHFFFAOYSA-N 1 1 322.315 2.907 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000353296473 428472814 /nfs/dbraw/zinc/47/28/14/428472814.db2.gz BUTXCHFMPMASPI-GFCCVEGCSA-N 1 1 324.356 2.730 20 5 DFBDMO CC[N@@H+]1CCC[C@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000391471355 428477665 /nfs/dbraw/zinc/47/76/65/428477665.db2.gz REMLKVLHJVSZRJ-ZDUSSCGKSA-N 1 1 314.389 2.770 20 5 DFBDMO CC[N@H+]1CCC[C@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000391471355 428477670 /nfs/dbraw/zinc/47/76/70/428477670.db2.gz REMLKVLHJVSZRJ-ZDUSSCGKSA-N 1 1 314.389 2.770 20 5 DFBDMO CC[C@H](C)[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000347475197 428585270 /nfs/dbraw/zinc/58/52/70/428585270.db2.gz NBKQFILZAVCFJJ-ZDUSSCGKSA-N 1 1 310.394 2.975 20 5 DFBDMO Cn1c2ccc(F)cc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000361638178 428586051 /nfs/dbraw/zinc/58/60/51/428586051.db2.gz AVPKIONSWJNUIZ-UHFFFAOYSA-N 1 1 318.283 3.372 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373468226 428586280 /nfs/dbraw/zinc/58/62/80/428586280.db2.gz USPRXPVWCKFPRI-NVXWUHKLSA-N 1 1 320.389 2.673 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373468226 428586284 /nfs/dbraw/zinc/58/62/84/428586284.db2.gz USPRXPVWCKFPRI-NVXWUHKLSA-N 1 1 320.389 2.673 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398932486 428532595 /nfs/dbraw/zinc/53/25/95/428532595.db2.gz TUNWVTFSSVUUBZ-SRVKXCTJSA-N 1 1 310.781 2.841 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000347350106 428559576 /nfs/dbraw/zinc/55/95/76/428559576.db2.gz CJTVGMTVCXVMHE-QXSWTLKVSA-N 1 1 301.390 2.778 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343997549 428602127 /nfs/dbraw/zinc/60/21/27/428602127.db2.gz CCEPVDZTKYQZSQ-ZDUSSCGKSA-N 1 1 306.362 2.714 20 5 DFBDMO C[C@H]1C[N@@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353589998 428610419 /nfs/dbraw/zinc/61/04/19/428610419.db2.gz IIQWISJUOYSSKW-ZDUSSCGKSA-N 1 1 315.373 2.991 20 5 DFBDMO C[C@H]1CN(C)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353589998 428610424 /nfs/dbraw/zinc/61/04/24/428610424.db2.gz IIQWISJUOYSSKW-ZDUSSCGKSA-N 1 1 315.373 2.991 20 5 DFBDMO C[C@H]1CN(C)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353589998 428610429 /nfs/dbraw/zinc/61/04/29/428610429.db2.gz IIQWISJUOYSSKW-ZDUSSCGKSA-N 1 1 315.373 2.991 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344031987 428612378 /nfs/dbraw/zinc/61/23/78/428612378.db2.gz OBDWBSGCYRQIIF-WCQYABFASA-N 1 1 303.362 2.654 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347588939 428615337 /nfs/dbraw/zinc/61/53/37/428615337.db2.gz XRZDOCBQDISQNR-YPMHNXCESA-N 1 1 305.378 2.820 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347588939 428615342 /nfs/dbraw/zinc/61/53/42/428615342.db2.gz XRZDOCBQDISQNR-YPMHNXCESA-N 1 1 305.378 2.820 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+]CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353615710 428622896 /nfs/dbraw/zinc/62/28/96/428622896.db2.gz ADKFLNOEZFTETP-HNNXBMFYSA-N 1 1 300.362 2.807 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)c(Cl)c1 ZINC000344303541 428631593 /nfs/dbraw/zinc/63/15/93/428631593.db2.gz MSTXAPWABYMLPC-MRVPVSSYSA-N 1 1 312.675 2.651 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000362133685 428632766 /nfs/dbraw/zinc/63/27/66/428632766.db2.gz AWAKGSMMUZQKTE-MRXNPFEDSA-N 1 1 320.389 2.521 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000373709914 428638853 /nfs/dbraw/zinc/63/88/53/428638853.db2.gz BQKKUMWJLNNURS-LRDDRELGSA-N 1 1 312.373 2.673 20 5 DFBDMO COc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])cc1F ZINC000292846737 274097026 /nfs/dbraw/zinc/09/70/26/274097026.db2.gz QZIWEJGNJALEQS-MRXNPFEDSA-N 1 1 323.368 2.665 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000348201701 428651445 /nfs/dbraw/zinc/65/14/45/428651445.db2.gz XJTATHCNYALJSS-MRXNPFEDSA-N 1 1 319.405 2.532 20 5 DFBDMO CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348201701 428651452 /nfs/dbraw/zinc/65/14/52/428651452.db2.gz XJTATHCNYALJSS-MRXNPFEDSA-N 1 1 319.405 2.532 20 5 DFBDMO CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348201701 428651456 /nfs/dbraw/zinc/65/14/56/428651456.db2.gz XJTATHCNYALJSS-MRXNPFEDSA-N 1 1 319.405 2.532 20 5 DFBDMO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)[N@@H+]1C ZINC000294863647 274370609 /nfs/dbraw/zinc/37/06/09/274370609.db2.gz DIWXTOKZGJCUPP-TXEJJXNPSA-N 1 1 300.362 2.672 20 5 DFBDMO CSc1ccccc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000348332410 428710678 /nfs/dbraw/zinc/71/06/78/428710678.db2.gz UEEBXRKNAGTFOI-UHFFFAOYSA-N 1 1 306.391 2.645 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000358914243 428730184 /nfs/dbraw/zinc/73/01/84/428730184.db2.gz KYIUJGJBCQYUNY-ZDUSSCGKSA-N 1 1 307.398 2.548 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC12CCC2 ZINC000411304017 428777226 /nfs/dbraw/zinc/77/72/26/428777226.db2.gz BERYLVQOVZDLRD-UHFFFAOYSA-N 1 1 319.361 2.560 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411368970 428785727 /nfs/dbraw/zinc/78/57/27/428785727.db2.gz WPORCOSCAFJFCZ-NSHDSACASA-N 1 1 309.366 2.662 20 5 DFBDMO COC[C@@H]1CCCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000375112717 428802267 /nfs/dbraw/zinc/80/22/67/428802267.db2.gz WMYGGPMYQCWGKC-CQSZACIVSA-N 1 1 308.378 2.722 20 5 DFBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000354015119 428821968 /nfs/dbraw/zinc/82/19/68/428821968.db2.gz PVSOJMVAXGWBST-GFCCVEGCSA-N 1 1 305.378 2.901 20 5 DFBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000354015119 428821972 /nfs/dbraw/zinc/82/19/72/428821972.db2.gz PVSOJMVAXGWBST-GFCCVEGCSA-N 1 1 305.378 2.901 20 5 DFBDMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1ccc([N+](=O)[O-])cn1 ZINC000375240952 428829876 /nfs/dbraw/zinc/82/98/76/428829876.db2.gz YNSNFFWIPGLAIT-UHFFFAOYSA-N 1 1 324.340 2.720 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363026686 428844160 /nfs/dbraw/zinc/84/41/60/428844160.db2.gz LJDYEHJOJHYGGS-NEPJUHHUSA-N 1 1 323.780 2.605 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000349043059 428908010 /nfs/dbraw/zinc/90/80/10/428908010.db2.gz XKFMVKWTTYSLGI-RQPMMQJISA-N 1 1 308.353 2.795 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000349043059 428908014 /nfs/dbraw/zinc/90/80/14/428908014.db2.gz XKFMVKWTTYSLGI-RQPMMQJISA-N 1 1 308.353 2.795 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCc1noc(C)n1 ZINC000348836856 428854276 /nfs/dbraw/zinc/85/42/76/428854276.db2.gz DYCDYZRZRIWNLN-XFXZXTDPSA-N 1 1 316.361 2.864 20 5 DFBDMO C[C@H]1CSc2ccccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000375393205 428872521 /nfs/dbraw/zinc/87/25/21/428872521.db2.gz PVBNYDCVXQWAII-LBPRGKRZSA-N 1 1 318.402 2.788 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O ZINC000354125133 428873181 /nfs/dbraw/zinc/87/31/81/428873181.db2.gz BMVWKJGOFRAYAM-HZPDHXFCSA-N 1 1 319.405 2.816 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O ZINC000354125133 428873186 /nfs/dbraw/zinc/87/31/86/428873186.db2.gz BMVWKJGOFRAYAM-HZPDHXFCSA-N 1 1 319.405 2.816 20 5 DFBDMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375414598 428877980 /nfs/dbraw/zinc/87/79/80/428877980.db2.gz ZSDUMMUIWOWEBF-YESZJQIVSA-N 1 1 320.389 2.611 20 5 DFBDMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375414598 428877987 /nfs/dbraw/zinc/87/79/87/428877987.db2.gz ZSDUMMUIWOWEBF-YESZJQIVSA-N 1 1 320.389 2.611 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000363310956 428903364 /nfs/dbraw/zinc/90/33/64/428903364.db2.gz PGWJTSYGQKCOCO-INIZCTEOSA-N 1 1 319.405 2.664 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412033732 428916845 /nfs/dbraw/zinc/91/68/45/428916845.db2.gz DLOKLNKRPBOYNS-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412033732 428916852 /nfs/dbraw/zinc/91/68/52/428916852.db2.gz DLOKLNKRPBOYNS-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1nc(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)no1 ZINC000363444201 428917364 /nfs/dbraw/zinc/91/73/64/428917364.db2.gz NSZLJCWZAFNTRJ-UHFFFAOYSA-N 1 1 320.324 2.805 20 5 DFBDMO C[NH+]1CCC([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000349149913 428930172 /nfs/dbraw/zinc/93/01/72/428930172.db2.gz MGFUIAVQRWDLLY-CQSZACIVSA-N 1 1 321.396 2.898 20 5 DFBDMO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261909872 274713296 /nfs/dbraw/zinc/71/32/96/274713296.db2.gz QCKWBRLZCUGWOO-GLQYFDAESA-N 1 1 312.373 2.625 20 5 DFBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412058436 428932853 /nfs/dbraw/zinc/93/28/53/428932853.db2.gz VGJIXJTWRSXLHD-HNNXBMFYSA-N 1 1 317.389 2.572 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cnccn3)CC2)cc1F ZINC000375671266 428937013 /nfs/dbraw/zinc/93/70/13/428937013.db2.gz GDDKRMPTNRIDHU-UHFFFAOYSA-N 1 1 316.336 2.904 20 5 DFBDMO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccon2)cccc1[N+](=O)[O-] ZINC000349236389 428943663 /nfs/dbraw/zinc/94/36/63/428943663.db2.gz GZAPICWERPDZRE-LLVKDONJSA-N 1 1 318.333 2.571 20 5 DFBDMO COc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000349293634 428956717 /nfs/dbraw/zinc/95/67/17/428956717.db2.gz GBZRYZZYGNONRT-LLVKDONJSA-N 1 1 320.345 2.676 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451775748 428970373 /nfs/dbraw/zinc/97/03/73/428970373.db2.gz FFENEDHZPMOMAM-ZDUSSCGKSA-N 1 1 310.394 2.703 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000451904801 429015132 /nfs/dbraw/zinc/01/51/32/429015132.db2.gz BONOQVRIAZAURE-INIZCTEOSA-N 1 1 324.352 2.745 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000451904801 429015137 /nfs/dbraw/zinc/01/51/37/429015137.db2.gz BONOQVRIAZAURE-INIZCTEOSA-N 1 1 324.352 2.745 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421767577 429030667 /nfs/dbraw/zinc/03/06/67/429030667.db2.gz LFPDHHUOHWHWMB-UHFFFAOYSA-N 1 1 307.394 2.673 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000354383669 428977597 /nfs/dbraw/zinc/97/75/97/428977597.db2.gz AXSKLBWAYJZWSE-UKRRQHHQSA-N 1 1 319.405 2.848 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000375806963 428982507 /nfs/dbraw/zinc/98/25/07/428982507.db2.gz BDROLKUOJZBZPI-HUUCEWRRSA-N 1 1 319.405 2.532 20 5 DFBDMO Cc1cccnc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000093158693 274813413 /nfs/dbraw/zinc/81/34/13/274813413.db2.gz QEVNPPUBIJZFEJ-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452001921 429036194 /nfs/dbraw/zinc/03/61/94/429036194.db2.gz GGAAKMFUXYDCGB-OCCSQVGLSA-N 1 1 308.378 2.597 20 5 DFBDMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452020380 429039249 /nfs/dbraw/zinc/03/92/49/429039249.db2.gz ZITYGSBPBXZWIU-OLZOCXBDSA-N 1 1 308.378 2.597 20 5 DFBDMO C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452017008 429039320 /nfs/dbraw/zinc/03/93/20/429039320.db2.gz WXDXOXPKAYJARB-GFCCVEGCSA-N 1 1 317.389 2.747 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000452016885 429040795 /nfs/dbraw/zinc/04/07/95/429040795.db2.gz WQUBOJGLSJFZIW-LLVKDONJSA-N 1 1 321.377 2.805 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376046035 429046834 /nfs/dbraw/zinc/04/68/34/429046834.db2.gz PNFZCJIDIAATOR-XJKSGUPXSA-N 1 1 320.389 2.993 20 5 DFBDMO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000424136867 429096820 /nfs/dbraw/zinc/09/68/20/429096820.db2.gz LDMUXBWXZWPNEU-AAEUAGOBSA-N 1 1 305.378 2.645 20 5 DFBDMO CCOc1cc(C[NH2+]C(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000452095535 429055925 /nfs/dbraw/zinc/05/59/25/429055925.db2.gz LQTSIZCUJWDVJN-UHFFFAOYSA-N 1 1 321.421 2.958 20 5 DFBDMO COC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000452094194 429056662 /nfs/dbraw/zinc/05/66/62/429056662.db2.gz VTLPYDGYBVVGEL-CQSZACIVSA-N 1 1 308.378 2.722 20 5 DFBDMO C[C@]1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC[NH2+]C1 ZINC000423323723 429065071 /nfs/dbraw/zinc/06/50/71/429065071.db2.gz AMPCFCLIIMGAEQ-SJORKVTESA-N 1 1 303.406 2.952 20 5 DFBDMO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000424136868 429097360 /nfs/dbraw/zinc/09/73/60/429097360.db2.gz LDMUXBWXZWPNEU-DGCLKSJQSA-N 1 1 305.378 2.645 20 5 DFBDMO CC(=O)c1cc(N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000376222152 429079173 /nfs/dbraw/zinc/07/91/73/429079173.db2.gz PDPVXCFVKRIDFY-IAGOWNOFSA-N 1 1 317.389 2.860 20 5 DFBDMO Cc1cc(NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487200901 429142863 /nfs/dbraw/zinc/14/28/63/429142863.db2.gz PVRSCHMBFKSYJA-OAHLLOKOSA-N 1 1 320.393 2.707 20 5 DFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413131171 429144436 /nfs/dbraw/zinc/14/44/36/429144436.db2.gz AAQJFDSPQLZCTL-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO O=[N+]([O-])c1ccc2nc(NCc3c[nH+]c4n3CCCC4)ccc2c1 ZINC000376475406 429118643 /nfs/dbraw/zinc/11/86/43/429118643.db2.gz TYWDOCKJMBFHEY-UHFFFAOYSA-N 1 1 323.356 3.288 20 5 DFBDMO CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000413004718 429121639 /nfs/dbraw/zinc/12/16/39/429121639.db2.gz XQVIMKGSINPQKO-GFCCVEGCSA-N 1 1 313.785 2.673 20 5 DFBDMO Cc1cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000376512019 429125548 /nfs/dbraw/zinc/12/55/48/429125548.db2.gz GAZZOKAYWRZCDF-DZGCQCFKSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000494658804 429138017 /nfs/dbraw/zinc/13/80/17/429138017.db2.gz ZOCIWQFIWLHABI-KRWDZBQOSA-N 1 1 320.389 2.865 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000487194351 429141095 /nfs/dbraw/zinc/14/10/95/429141095.db2.gz AKHVOXWXGJFOTN-HNNXBMFYSA-N 1 1 320.393 2.707 20 5 DFBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[N@@H+](C)C1CC1 ZINC000413120217 429141833 /nfs/dbraw/zinc/14/18/33/429141833.db2.gz QADDXRODFZPWNE-MRVPVSSYSA-N 1 1 318.299 2.903 20 5 DFBDMO CC(=O)c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364089027 429168843 /nfs/dbraw/zinc/16/88/43/429168843.db2.gz PAWLHIGMOQPOPW-KBPBESRZSA-N 1 1 303.362 2.836 20 5 DFBDMO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000364095786 429170135 /nfs/dbraw/zinc/17/01/35/429170135.db2.gz OQHCSRFJBKOBPN-HOTGVXAUSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC(c4[nH]cc[nH+]4)CC3)nc2c1 ZINC000277859090 275037510 /nfs/dbraw/zinc/03/75/10/275037510.db2.gz NWMFNMUOXWXIIH-UHFFFAOYSA-N 1 1 312.333 2.578 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487930668 429175495 /nfs/dbraw/zinc/17/54/95/429175495.db2.gz FZLJKEWYVNEZAU-ZDUSSCGKSA-N 1 1 314.389 2.709 20 5 DFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCCC3CCOCC3)C2)c1 ZINC000364329350 429184043 /nfs/dbraw/zinc/18/40/43/429184043.db2.gz QUJPJPJCQIZUPV-HNNXBMFYSA-N 1 1 322.409 2.635 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364360627 429191449 /nfs/dbraw/zinc/19/14/49/429191449.db2.gz MCHUAMUQRLHEDJ-UHFFFAOYSA-N 1 1 314.345 2.577 20 5 DFBDMO Cn1cc[nH+]c1N1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000364602717 429232374 /nfs/dbraw/zinc/23/23/74/429232374.db2.gz GXIPMNQSFJFTSP-UHFFFAOYSA-N 1 1 319.340 2.548 20 5 DFBDMO C[C@H]1[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000436362804 429198741 /nfs/dbraw/zinc/19/87/41/429198741.db2.gz QDTVVRQVHWJWIA-DTWKUNHWSA-N 1 1 318.299 2.903 20 5 DFBDMO CC[N@H+](CCOC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425410205 429288357 /nfs/dbraw/zinc/28/83/57/429288357.db2.gz WGWWZGWFRHLYTG-UHFFFAOYSA-N 1 1 317.183 2.826 20 5 DFBDMO CC[N@@H+](CCOC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425410205 429288361 /nfs/dbraw/zinc/28/83/61/429288361.db2.gz WGWWZGWFRHLYTG-UHFFFAOYSA-N 1 1 317.183 2.826 20 5 DFBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC1(C)C ZINC000489482798 429247264 /nfs/dbraw/zinc/24/72/64/429247264.db2.gz RWQUZZYOJOATFC-LBPRGKRZSA-N 1 1 302.334 2.875 20 5 DFBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC1(C)C ZINC000489482798 429247268 /nfs/dbraw/zinc/24/72/68/429247268.db2.gz RWQUZZYOJOATFC-LBPRGKRZSA-N 1 1 302.334 2.875 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489860401 429263894 /nfs/dbraw/zinc/26/38/94/429263894.db2.gz CHHKTHOGCRKKAP-ZDUSSCGKSA-N 1 1 308.378 2.599 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c(OC(F)F)c1 ZINC000489892984 429265742 /nfs/dbraw/zinc/26/57/42/429265742.db2.gz WXXCORJWZRMGCH-SECBINFHSA-N 1 1 324.287 2.820 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c2ncccc12 ZINC000489883008 429266034 /nfs/dbraw/zinc/26/60/34/429266034.db2.gz IFQZZRYQCQQRCZ-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO CCOc1cccc(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489927269 429268111 /nfs/dbraw/zinc/26/81/11/429268111.db2.gz WECIPWDKLHWIQV-NSHDSACASA-N 1 1 302.334 2.617 20 5 DFBDMO CC(C)(C)SCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298009189 275526132 /nfs/dbraw/zinc/52/61/32/275526132.db2.gz CBYZSPLHDQAPQV-UHFFFAOYSA-N 1 1 324.450 2.644 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449082970 429327562 /nfs/dbraw/zinc/32/75/62/429327562.db2.gz RHIOFLPPLUBANN-KMFMINBZSA-N 1 1 303.406 2.742 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000449082970 429327564 /nfs/dbraw/zinc/32/75/64/429327564.db2.gz RHIOFLPPLUBANN-KMFMINBZSA-N 1 1 303.406 2.742 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000501812629 429328244 /nfs/dbraw/zinc/32/82/44/429328244.db2.gz HPTGHTDXSLIWBZ-QWHCGFSZSA-N 1 1 308.378 2.960 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425496243 429310511 /nfs/dbraw/zinc/31/05/11/429310511.db2.gz AGRALQIGXMZFOT-DOMZBBRYSA-N 1 1 301.350 2.584 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425503509 429312660 /nfs/dbraw/zinc/31/26/60/429312660.db2.gz SLWJHVCPTYNYSY-STQMWFEESA-N 1 1 301.350 2.584 20 5 DFBDMO C[C@H](NCc1ncc(C[NH+](C)C)s1)c1ccc([N+](=O)[O-])cc1 ZINC000449347766 429394560 /nfs/dbraw/zinc/39/45/60/429394560.db2.gz IVGBOKWEQTWODK-NSHDSACASA-N 1 1 320.418 2.964 20 5 DFBDMO Cn1cc(C[N@@H+]2CC[C@@H](F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449390720 429400798 /nfs/dbraw/zinc/40/07/98/429400798.db2.gz WPVRWAMADGZFDH-CYBMUJFWSA-N 1 1 304.325 2.539 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@@H](F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449390720 429400801 /nfs/dbraw/zinc/40/08/01/429400801.db2.gz WPVRWAMADGZFDH-CYBMUJFWSA-N 1 1 304.325 2.539 20 5 DFBDMO CCc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457112349 429404720 /nfs/dbraw/zinc/40/47/20/429404720.db2.gz JDEOWFZSCZWSSE-HNNXBMFYSA-N 1 1 319.405 2.712 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000517955771 429406630 /nfs/dbraw/zinc/40/66/30/429406630.db2.gz CSYIXFKKNNMFDO-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491531921 429370625 /nfs/dbraw/zinc/37/06/25/429370625.db2.gz IPILDMWKJMPEIM-XYLWRLHESA-N 1 1 323.368 2.594 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365836475 429384455 /nfs/dbraw/zinc/38/44/55/429384455.db2.gz INTUUKXGHIZQMM-BLLLJJGKSA-N 1 1 306.362 2.604 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000366079160 429414765 /nfs/dbraw/zinc/41/47/65/429414765.db2.gz TXVKKYZYXQVAPJ-NSHDSACASA-N 1 1 304.325 2.851 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518706619 429430549 /nfs/dbraw/zinc/43/05/49/429430549.db2.gz PPTZNZNMBNIZGR-DZGCQCFKSA-N 1 1 319.405 2.641 20 5 DFBDMO Cc1cnc([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000428941359 429561060 /nfs/dbraw/zinc/56/10/60/429561060.db2.gz VHKLDFPABSEVQY-CYBMUJFWSA-N 1 1 300.362 2.929 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367068018 429568835 /nfs/dbraw/zinc/56/88/35/429568835.db2.gz PILXFAWAXWBPAP-QGZVFWFLSA-N 1 1 320.389 2.866 20 5 DFBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429011939 429571491 /nfs/dbraw/zinc/57/14/91/429571491.db2.gz SYAXLUIRTSEDRY-JKIFEVAISA-N 1 1 303.406 2.757 20 5 DFBDMO CCOc1cc(CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492585531 429572224 /nfs/dbraw/zinc/57/22/24/429572224.db2.gz XMILZEGIIMVNJX-KGLIPLIRSA-N 1 1 321.421 2.908 20 5 DFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429030760 429574175 /nfs/dbraw/zinc/57/41/75/429574175.db2.gz SPOVLGZNLIDALD-KEYYUXOJSA-N 1 1 303.406 2.757 20 5 DFBDMO Cc1cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000521142546 429539881 /nfs/dbraw/zinc/53/98/81/429539881.db2.gz WHZHVLLFYCLFAE-UHFFFAOYSA-N 1 1 319.405 2.850 20 5 DFBDMO CCOc1cc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492459626 429542476 /nfs/dbraw/zinc/54/24/76/429542476.db2.gz GJHACWXLNSQBAS-OAHLLOKOSA-N 1 1 319.405 2.662 20 5 DFBDMO O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000450395739 429616035 /nfs/dbraw/zinc/61/60/35/429616035.db2.gz VJZMYOBFGYHHQK-CYBMUJFWSA-N 1 1 323.356 3.329 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429575038 429618560 /nfs/dbraw/zinc/61/85/60/429618560.db2.gz CDWGGGZDBAIVGM-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429575685 429619218 /nfs/dbraw/zinc/61/92/18/429619218.db2.gz AFXHXWTVBFWMJX-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450531101 429641342 /nfs/dbraw/zinc/64/13/42/429641342.db2.gz GRPAITBCZBZMAL-GFCCVEGCSA-N 1 1 302.378 3.284 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C3CC3)C[C@H](C)C2)n1 ZINC000450548576 429644627 /nfs/dbraw/zinc/64/46/27/429644627.db2.gz SSYQYWSGQWPVRB-NSHDSACASA-N 1 1 304.394 2.527 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)nc1 ZINC000450565579 429650968 /nfs/dbraw/zinc/65/09/68/429650968.db2.gz JMIJGUZBSOEKFM-CQSZACIVSA-N 1 1 302.378 2.976 20 5 DFBDMO Cc1ccc(C)c(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000429286898 429594589 /nfs/dbraw/zinc/59/45/89/429594589.db2.gz KREVMCCDHJNUPD-UHFFFAOYSA-N 1 1 315.373 2.505 20 5 DFBDMO COCCC[N@@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450354375 429606918 /nfs/dbraw/zinc/60/69/18/429606918.db2.gz LIXYBLQXIYUJGA-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000430195615 429660934 /nfs/dbraw/zinc/66/09/34/429660934.db2.gz OPDXWBRHTMZZIF-HUBLWGQQSA-N 1 1 308.378 2.585 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000430217616 429663332 /nfs/dbraw/zinc/66/33/32/429663332.db2.gz IBYFIQBLEGYFFK-MRXNPFEDSA-N 1 1 316.357 2.817 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000430227916 429665642 /nfs/dbraw/zinc/66/56/42/429665642.db2.gz CPMUEZGHBKVGFV-OCCSQVGLSA-N 1 1 308.378 2.729 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000430241211 429666446 /nfs/dbraw/zinc/66/64/46/429666446.db2.gz GEARFNLHGPAONY-GXTWGEPZSA-N 1 1 307.394 2.518 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243988 429667547 /nfs/dbraw/zinc/66/75/47/429667547.db2.gz NGPZXLITABSPLM-UKRRQHHQSA-N 1 1 321.421 2.908 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243989 429668068 /nfs/dbraw/zinc/66/80/68/429668068.db2.gz NGPZXLITABSPLM-ZFWWWQNUSA-N 1 1 321.421 2.908 20 5 DFBDMO CC1=C[C@@H](C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000430287359 429674693 /nfs/dbraw/zinc/67/46/93/429674693.db2.gz XIZVXEXIMQHNJK-LLVKDONJSA-N 1 1 304.346 2.859 20 5 DFBDMO CC1=C[C@@H](C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000430287359 429674698 /nfs/dbraw/zinc/67/46/98/429674698.db2.gz XIZVXEXIMQHNJK-LLVKDONJSA-N 1 1 304.346 2.859 20 5 DFBDMO CN1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000367553657 429670250 /nfs/dbraw/zinc/67/02/50/429670250.db2.gz QGOKBMBKSFQUSE-IKGGRYGDSA-N 1 1 303.406 2.600 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493024250 429672465 /nfs/dbraw/zinc/67/24/65/429672465.db2.gz YDMWGMAWSKUELY-VFFGBVLKSA-N 1 1 323.368 2.592 20 5 DFBDMO CC1=C[C@@H](C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430284502 429673841 /nfs/dbraw/zinc/67/38/41/429673841.db2.gz MLFBFDKSKNWEHO-MLGOLLRUSA-N 1 1 315.373 2.598 20 5 DFBDMO CC1=C[C@@H](C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430284502 429673842 /nfs/dbraw/zinc/67/38/42/429673842.db2.gz MLFBFDKSKNWEHO-MLGOLLRUSA-N 1 1 315.373 2.598 20 5 DFBDMO CC[N@@H+](CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000127734466 276347640 /nfs/dbraw/zinc/34/76/40/276347640.db2.gz HUVCTYQDJKMUFT-UHFFFAOYSA-N 1 1 320.393 2.817 20 5 DFBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000367701065 429702436 /nfs/dbraw/zinc/70/24/36/429702436.db2.gz KBAHEEIWYDSVCI-LLVKDONJSA-N 1 1 320.780 2.971 20 5 DFBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451262320 429799018 /nfs/dbraw/zinc/79/90/18/429799018.db2.gz XJTPYSBGLJSPRK-CZUORRHYSA-N 1 1 322.405 2.975 20 5 DFBDMO CCC[N@H+]1CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000367944868 429749040 /nfs/dbraw/zinc/74/90/40/429749040.db2.gz NFOQREZHGXZDKC-UHFFFAOYSA-N 1 1 305.378 2.720 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000451082665 429763511 /nfs/dbraw/zinc/76/35/11/429763511.db2.gz MPQDXRCZWMGGGU-ZDUSSCGKSA-N 1 1 319.405 2.520 20 5 DFBDMO CCOc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487070591 429764705 /nfs/dbraw/zinc/76/47/05/429764705.db2.gz UWJLUECRCQYVIJ-OAHLLOKOSA-N 1 1 307.394 2.770 20 5 DFBDMO COC[C@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000451204398 429788074 /nfs/dbraw/zinc/78/80/74/429788074.db2.gz WUEIHVLQKFCNHG-OAHLLOKOSA-N 1 1 305.334 2.594 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000368282556 429824302 /nfs/dbraw/zinc/82/43/02/429824302.db2.gz UFZFLXYIYWTGQP-ZDUSSCGKSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000368282556 429824303 /nfs/dbraw/zinc/82/43/03/429824303.db2.gz UFZFLXYIYWTGQP-ZDUSSCGKSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451413876 429824419 /nfs/dbraw/zinc/82/44/19/429824419.db2.gz HRFNQDJLAOZPAG-PEYYIBSZSA-N 1 1 308.353 2.859 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000451411327 429824456 /nfs/dbraw/zinc/82/44/56/429824456.db2.gz DWTSHRQLUHOXSS-BBWFWOEESA-N 1 1 320.389 2.599 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000451411328 429824581 /nfs/dbraw/zinc/82/45/81/429824581.db2.gz DWTSHRQLUHOXSS-BRWVUGGUSA-N 1 1 320.389 2.599 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451420357 429825746 /nfs/dbraw/zinc/82/57/46/429825746.db2.gz AECACEMHGANKPY-YGRLFVJLSA-N 1 1 300.305 2.666 20 5 DFBDMO CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544015 429846959 /nfs/dbraw/zinc/84/69/59/429846959.db2.gz CZGVVWSIZSOJGN-AWEZNQCLSA-N 1 1 319.405 2.689 20 5 DFBDMO CCC(=O)CC[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000368460229 429852240 /nfs/dbraw/zinc/85/22/40/429852240.db2.gz ANAFDOOZPQOJIW-UHFFFAOYSA-N 1 1 317.389 2.944 20 5 DFBDMO CC(C)N(C)C(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451560872 429854930 /nfs/dbraw/zinc/85/49/30/429854930.db2.gz IJYFKXABJLFRNR-OAHLLOKOSA-N 1 1 319.405 2.641 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451645658 429866114 /nfs/dbraw/zinc/86/61/14/429866114.db2.gz BNBYYWPGRAEJDW-CQSZACIVSA-N 1 1 308.403 2.931 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369060038 429909662 /nfs/dbraw/zinc/90/96/62/429909662.db2.gz AGYHJNKMERNCBS-SWLSCSKDSA-N 1 1 317.389 2.646 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369060038 429909663 /nfs/dbraw/zinc/90/96/63/429909663.db2.gz AGYHJNKMERNCBS-SWLSCSKDSA-N 1 1 317.389 2.646 20 5 DFBDMO Cc1cc(N(C)C[C@@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000369237004 429921210 /nfs/dbraw/zinc/92/12/10/429921210.db2.gz AULLJCHJZLIPNQ-ZDUSSCGKSA-N 1 1 300.362 2.799 20 5 DFBDMO Cc1ccc([C@]2(C)CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000369384068 429935699 /nfs/dbraw/zinc/93/56/99/429935699.db2.gz QCZBZFLDWUIFNX-QGZVFWFLSA-N 1 1 314.389 2.800 20 5 DFBDMO C[N@H+]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000377837918 277199794 /nfs/dbraw/zinc/19/97/94/277199794.db2.gz SPIZBMHDKQSHRQ-HLLBOEOZSA-N 1 1 324.384 2.729 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000581499525 430215101 /nfs/dbraw/zinc/21/51/01/430215101.db2.gz IXXYHDVQIQJQOV-OLZOCXBDSA-N 1 1 305.378 2.524 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000582333957 430289418 /nfs/dbraw/zinc/28/94/18/430289418.db2.gz PWABLPHEFLUPCC-CHWSQXEVSA-N 1 1 307.394 2.543 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000546728712 430368372 /nfs/dbraw/zinc/36/83/72/430368372.db2.gz VRSDKJCGRRDSSH-UHFFFAOYSA-N 1 1 313.766 2.873 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000569116001 430425294 /nfs/dbraw/zinc/42/52/94/430425294.db2.gz CKCLGIDNPIDJFZ-UHFFFAOYSA-N 1 1 307.394 2.914 20 5 DFBDMO CCOc1cc(CN2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000570054863 430509961 /nfs/dbraw/zinc/50/99/61/430509961.db2.gz BSXLBUGDTUFUIO-UHFFFAOYSA-N 1 1 307.394 2.520 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000549248823 430521823 /nfs/dbraw/zinc/52/18/23/430521823.db2.gz YTSBCQAFSRDDDP-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO COc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000268193461 277824935 /nfs/dbraw/zinc/82/49/35/277824935.db2.gz NJZJJCARXNTOLG-UHFFFAOYSA-N 1 1 320.324 2.850 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(CNc3ccc4c([nH+]3)CCC4)nc2c1 ZINC000602682073 430543306 /nfs/dbraw/zinc/54/33/06/430543306.db2.gz 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C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000270279561 278706413 /nfs/dbraw/zinc/70/64/13/278706413.db2.gz VDUFXMGBTSGBQQ-GHMZBOCLSA-N 1 1 317.345 2.506 20 5 DFBDMO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000289621144 279494890 /nfs/dbraw/zinc/49/48/90/279494890.db2.gz DOPGTANFKJKFIV-LBPRGKRZSA-N 1 1 300.362 2.907 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccco2)C2CCCC2)n1 ZINC000176211959 280376746 /nfs/dbraw/zinc/37/67/46/280376746.db2.gz VIRAZQFOHWCMIQ-UHFFFAOYSA-N 1 1 304.350 2.829 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000375859130 281184727 /nfs/dbraw/zinc/18/47/27/281184727.db2.gz ILVPHFMPQCFRJL-GOEBONIOSA-N 1 1 317.389 2.684 20 5 DFBDMO Cc1ccccc1[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267059908 281392665 /nfs/dbraw/zinc/39/26/65/281392665.db2.gz IKQDBXKZOFAXTQ-AWEZNQCLSA-N 1 1 300.362 2.589 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000363356529 289081899 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O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000029630496 398489583 /nfs/dbraw/zinc/48/95/83/398489583.db2.gz DLAPNOAUDQDCKJ-UHFFFAOYSA-N 1 1 313.357 2.623 20 5 DFBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CC[N@@H+](C)C1 ZINC000592830910 398491812 /nfs/dbraw/zinc/49/18/12/398491812.db2.gz HUJZTNIEANFALA-LLVKDONJSA-N 1 1 311.407 2.521 20 5 DFBDMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000596867056 398518367 /nfs/dbraw/zinc/51/83/67/398518367.db2.gz PDWKKXXQNWSNDM-CYBMUJFWSA-N 1 1 320.393 2.817 20 5 DFBDMO Cc1cncc(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000593019387 398522378 /nfs/dbraw/zinc/52/23/78/398522378.db2.gz GQLJVBGVLBSHCD-UHFFFAOYSA-N 1 1 312.373 2.900 20 5 DFBDMO O=C(CC[N@H+]1CCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000593037687 398527586 /nfs/dbraw/zinc/52/75/86/398527586.db2.gz BDLQDXFBHYGGPC-UHFFFAOYSA-N 1 1 303.362 2.942 20 5 DFBDMO CC(C)[N@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000068800376 398529724 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COc1ccc(C[NH2+]Cc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000279790711 215148906 /nfs/dbraw/zinc/14/89/06/215148906.db2.gz CVIWIJHEUXKLPR-UHFFFAOYSA-N 1 1 304.350 2.671 20 5 DFBDMO CCC[NH+]1CCC(N(C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092165295 398560793 /nfs/dbraw/zinc/56/07/93/398560793.db2.gz PPNODTFPSWKMHF-UHFFFAOYSA-N 1 1 307.394 2.607 20 5 DFBDMO CCc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593188765 398567797 /nfs/dbraw/zinc/56/77/97/398567797.db2.gz PJSAIFHEBZGQHY-FRRDWIJNSA-N 1 1 319.405 2.710 20 5 DFBDMO Cc1cc(NC[C@@H]2CCn3cc[nH+]c3C2)c(F)cc1[N+](=O)[O-] ZINC000589692037 398571433 /nfs/dbraw/zinc/57/14/33/398571433.db2.gz ABRVZDSITPCRHH-LLVKDONJSA-N 1 1 304.325 2.913 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C2CC2)CC1 ZINC000590006386 398589722 /nfs/dbraw/zinc/58/97/22/398589722.db2.gz BYHXXJCMTAMINB-UHFFFAOYSA-N 1 1 317.389 2.964 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C2CC2)CC1 ZINC000590006387 398589576 /nfs/dbraw/zinc/58/95/76/398589576.db2.gz BZSAIFODWWJIPN-UHFFFAOYSA-N 1 1 317.389 2.964 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000092652164 398590422 /nfs/dbraw/zinc/59/04/22/398590422.db2.gz XLMGMIKCFHARIG-JTQLQIEISA-N 1 1 315.320 2.950 20 5 DFBDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000459674738 299161899 /nfs/dbraw/zinc/16/18/99/299161899.db2.gz LDJAEWCUUCAZTJ-CQSZACIVSA-N 1 1 308.378 2.994 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597223625 398596821 /nfs/dbraw/zinc/59/68/21/398596821.db2.gz ROJZHWZZVMIKLY-KBPBESRZSA-N 1 1 312.373 2.837 20 5 DFBDMO CC(=O)c1ccc(N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000072521777 398619175 /nfs/dbraw/zinc/61/91/75/398619175.db2.gz VTJSZUHDGCFAFW-UHFFFAOYSA-N 1 1 305.378 2.575 20 5 DFBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000590522948 398629058 /nfs/dbraw/zinc/62/90/58/398629058.db2.gz IOCSJBMYBQLMFK-LBPRGKRZSA-N 1 1 317.345 2.507 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000590522948 398629060 /nfs/dbraw/zinc/62/90/60/398629060.db2.gz IOCSJBMYBQLMFK-LBPRGKRZSA-N 1 1 317.345 2.507 20 5 DFBDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072698063 398630837 /nfs/dbraw/zinc/63/08/37/398630837.db2.gz MKPNKHQLDIXPLN-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093343094 398632519 /nfs/dbraw/zinc/63/25/19/398632519.db2.gz KVBPCNBRWLEKLA-WFASDCNBSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093343094 398632522 /nfs/dbraw/zinc/63/25/22/398632522.db2.gz KVBPCNBRWLEKLA-WFASDCNBSA-N 1 1 308.378 2.585 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000266843800 186356682 /nfs/dbraw/zinc/35/66/82/186356682.db2.gz HKBMUKNCEWOFFB-OLZOCXBDSA-N 1 1 305.378 2.646 20 5 DFBDMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ncc1[N+](=O)[O-] ZINC000266846746 186357264 /nfs/dbraw/zinc/35/72/64/186357264.db2.gz PHKGYODIPNBJGP-KGLIPLIRSA-N 1 1 304.394 2.750 20 5 DFBDMO CC[N@@H+]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000590693388 398653124 /nfs/dbraw/zinc/65/31/24/398653124.db2.gz URBFFDOZKSGWDV-FZMZJTMJSA-N 1 1 300.362 2.895 20 5 DFBDMO CCc1nn(C)c(NCC[N@@H+]2CCCC[C@H]2CC)c1[N+](=O)[O-] ZINC000094158781 398655772 /nfs/dbraw/zinc/65/57/72/398655772.db2.gz YTCLUQLKAYZNFL-GFCCVEGCSA-N 1 1 309.414 2.567 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000280057971 215343565 /nfs/dbraw/zinc/34/35/65/215343565.db2.gz MMTJYLOWMKCCTB-MRXNPFEDSA-N 1 1 308.378 2.730 20 5 DFBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000171954954 198013853 /nfs/dbraw/zinc/01/38/53/198013853.db2.gz QKNCLDBVHAGALD-LBPRGKRZSA-N 1 1 323.393 2.940 20 5 DFBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000171955390 198015256 /nfs/dbraw/zinc/01/52/56/198015256.db2.gz POXIESPXNKUGRX-LBPRGKRZSA-N 1 1 323.393 2.940 20 5 DFBDMO Cc1ccc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754955 398667302 /nfs/dbraw/zinc/66/73/02/398667302.db2.gz VSTWFINDWKNQOG-UHFFFAOYSA-N 1 1 301.346 2.809 20 5 DFBDMO CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072492457 191182231 /nfs/dbraw/zinc/18/22/31/191182231.db2.gz RTGJNVWKQXHBDM-LBPRGKRZSA-N 1 1 305.378 2.562 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000172858109 198159186 /nfs/dbraw/zinc/15/91/86/198159186.db2.gz CMLOEVQPQFSGFB-CHWSQXEVSA-N 1 1 305.378 2.678 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172952064 198170411 /nfs/dbraw/zinc/17/04/11/198170411.db2.gz XTVFWRLUUXAFAO-OKILXGFUSA-N 1 1 317.389 2.820 20 5 DFBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051201063 425882679 /nfs/dbraw/zinc/88/26/79/425882679.db2.gz ORGZOQSFRWVNFN-CQSZACIVSA-N 1 1 306.362 2.678 20 5 DFBDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000173188701 198193722 /nfs/dbraw/zinc/19/37/22/198193722.db2.gz OPNKDVFOFNHWCW-FZMZJTMJSA-N 1 1 306.366 2.541 20 5 DFBDMO CCc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173464598 198217735 /nfs/dbraw/zinc/21/77/35/198217735.db2.gz FOGLGIRAMLIDPZ-WFASDCNBSA-N 1 1 319.405 2.569 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597854801 398704818 /nfs/dbraw/zinc/70/48/18/398704818.db2.gz LWRAVEXXXRCDNG-LLVKDONJSA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000174473698 198338717 /nfs/dbraw/zinc/33/87/17/198338717.db2.gz YDBKLXCQPRLRKS-DGCLKSJQSA-N 1 1 320.393 2.850 20 5 DFBDMO O=[N+]([O-])c1cccnc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000046479006 398708338 /nfs/dbraw/zinc/70/83/38/398708338.db2.gz JUVIKHACYNSQDV-UHFFFAOYSA-N 1 1 312.373 2.850 20 5 DFBDMO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174770460 198382747 /nfs/dbraw/zinc/38/27/47/198382747.db2.gz GQKXFMFDBARYHZ-HUUCEWRRSA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174770460 198382749 /nfs/dbraw/zinc/38/27/49/198382749.db2.gz GQKXFMFDBARYHZ-HUUCEWRRSA-N 1 1 321.421 2.636 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174770460 198382751 /nfs/dbraw/zinc/38/27/51/198382751.db2.gz GQKXFMFDBARYHZ-HUUCEWRRSA-N 1 1 321.421 2.636 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174770460 198382752 /nfs/dbraw/zinc/38/27/52/198382752.db2.gz GQKXFMFDBARYHZ-HUUCEWRRSA-N 1 1 321.421 2.636 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000174830517 198390330 /nfs/dbraw/zinc/39/03/30/198390330.db2.gz REYCRWTWXJZVFV-OAHLLOKOSA-N 1 1 304.325 2.768 20 5 DFBDMO CCOc1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000590971799 398711129 /nfs/dbraw/zinc/71/11/29/398711129.db2.gz NJEZSXDFZHANBG-HIFRSBDPSA-N 1 1 306.362 2.604 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000590971799 398711133 /nfs/dbraw/zinc/71/11/33/398711133.db2.gz NJEZSXDFZHANBG-HIFRSBDPSA-N 1 1 306.362 2.604 20 5 DFBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925384 398722792 /nfs/dbraw/zinc/72/27/92/398722792.db2.gz ODJINPGMRPKKLJ-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO COC(=O)C1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000129602191 283021806 /nfs/dbraw/zinc/02/18/06/283021806.db2.gz PQLPLSBYHHPHPL-UHFFFAOYSA-N 1 1 306.362 2.903 20 5 DFBDMO COC(=O)C1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000129602191 283021811 /nfs/dbraw/zinc/02/18/11/283021811.db2.gz PQLPLSBYHHPHPL-UHFFFAOYSA-N 1 1 306.362 2.903 20 5 DFBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)O1 ZINC000446078752 297274854 /nfs/dbraw/zinc/27/48/54/297274854.db2.gz HYGOSBINAGTOJU-MCIONIFRSA-N 1 1 308.378 2.861 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c(F)c1 ZINC000332481042 235017369 /nfs/dbraw/zinc/01/73/69/235017369.db2.gz YLNSFCDBGBHVCP-UHFFFAOYSA-N 1 1 304.325 2.837 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000591149428 398732480 /nfs/dbraw/zinc/73/24/80/398732480.db2.gz ZLVFUQJWZLUTRB-VXGBXAGGSA-N 1 1 308.357 2.582 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCC3)C1)OCCO2 ZINC000591267712 398744184 /nfs/dbraw/zinc/74/41/84/398744184.db2.gz DQLUAPNPDHMUBI-CYBMUJFWSA-N 1 1 318.373 2.988 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594195771 398762512 /nfs/dbraw/zinc/76/25/12/398762512.db2.gz JAXQCHPSKOTRQF-HOCLYGCPSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594201739 398764977 /nfs/dbraw/zinc/76/49/77/398764977.db2.gz QOLURUQUJMGYMC-GOEBONIOSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074768090 398765704 /nfs/dbraw/zinc/76/57/04/398765704.db2.gz HTKLUEWEJVATFH-CQSZACIVSA-N 1 1 304.394 2.975 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000598343458 398796454 /nfs/dbraw/zinc/79/64/54/398796454.db2.gz VQTRLKZNWFMGIG-NSHDSACASA-N 1 1 323.418 2.531 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000276914485 213172403 /nfs/dbraw/zinc/17/24/03/213172403.db2.gz NZFUBGHVZOXZRS-OCCSQVGLSA-N 1 1 308.378 2.729 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc2c1OCO2 ZINC000237197551 202187146 /nfs/dbraw/zinc/18/71/46/202187146.db2.gz FQNWSZLAGWXKAE-UHFFFAOYSA-N 1 1 316.313 2.622 20 5 DFBDMO CCOc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902522 213163608 /nfs/dbraw/zinc/16/36/08/213163608.db2.gz MAGTUFKWVAETPQ-ZFWWWQNUSA-N 1 1 321.421 2.908 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(=O)OC(C)(C)C ZINC000150920298 283271048 /nfs/dbraw/zinc/27/10/48/283271048.db2.gz UBHSWGCJOWBEFP-UHFFFAOYSA-N 1 1 324.377 2.637 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000594495346 398809568 /nfs/dbraw/zinc/80/95/68/398809568.db2.gz VLMPTJPZFPITCA-XEZPLFJOSA-N 1 1 301.390 2.799 20 5 DFBDMO COc1ccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594522477 398815956 /nfs/dbraw/zinc/81/59/56/398815956.db2.gz YQLIJVUAHVAAKT-CABCVRRESA-N 1 1 319.405 2.710 20 5 DFBDMO COc1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594522477 398815958 /nfs/dbraw/zinc/81/59/58/398815958.db2.gz YQLIJVUAHVAAKT-CABCVRRESA-N 1 1 319.405 2.710 20 5 DFBDMO O=[N+]([O-])c1c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)nc2sccn21 ZINC000594598033 398827644 /nfs/dbraw/zinc/82/76/44/398827644.db2.gz FYSRZGLFXOUPRT-QWRGUYRKSA-N 1 1 321.406 2.733 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594604444 398829566 /nfs/dbraw/zinc/82/95/66/398829566.db2.gz ZFCPAYGKPDXRDW-STQMWFEESA-N 1 1 307.398 2.548 20 5 DFBDMO C[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180190582 199128500 /nfs/dbraw/zinc/12/85/00/199128500.db2.gz VILWYQNIFOMVNW-INIZCTEOSA-N 1 1 302.330 2.812 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000052862994 398853267 /nfs/dbraw/zinc/85/32/67/398853267.db2.gz IBSKHFQCAQEXBO-CQSZACIVSA-N 1 1 316.361 2.974 20 5 DFBDMO COc1cc(C[NH+]2CC(CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000598677431 398853534 /nfs/dbraw/zinc/85/35/34/398853534.db2.gz HCKAGNATTCXOSN-UHFFFAOYSA-N 1 1 306.362 2.844 20 5 DFBDMO CCC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000053378892 398870806 /nfs/dbraw/zinc/87/08/06/398870806.db2.gz WOVRRORKYLIBHA-UHFFFAOYSA-N 1 1 317.389 2.606 20 5 DFBDMO COC(=O)c1cc(NCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000076776201 398868832 /nfs/dbraw/zinc/86/88/32/398868832.db2.gz XSFJUGACJWPNQL-LBPRGKRZSA-N 1 1 321.377 2.668 20 5 DFBDMO CCC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000053376451 398870270 /nfs/dbraw/zinc/87/02/70/398870270.db2.gz FZXPKJDURIXBJK-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO CCOc1ccc([C@@H](C)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000153492200 283370941 /nfs/dbraw/zinc/37/09/41/283370941.db2.gz UOSMFSXVTVBKJL-CYBMUJFWSA-N 1 1 309.410 2.984 20 5 DFBDMO CCOc1ccc([C@@H](C)[NH2+]CCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000153492200 283370944 /nfs/dbraw/zinc/37/09/44/283370944.db2.gz UOSMFSXVTVBKJL-CYBMUJFWSA-N 1 1 309.410 2.984 20 5 DFBDMO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594985218 398886853 /nfs/dbraw/zinc/88/68/53/398886853.db2.gz ZIXODSCBWJESLX-CYBMUJFWSA-N 1 1 309.385 2.944 20 5 DFBDMO C[C@@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000595006398 398890012 /nfs/dbraw/zinc/89/00/12/398890012.db2.gz JQCLAOBWIYMMGF-BZNIZROVSA-N 1 1 304.321 2.946 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000468739894 299281582 /nfs/dbraw/zinc/28/15/82/299281582.db2.gz SLNDKNNAEMSKDL-BLMSOEDDSA-N 1 1 312.373 2.868 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000595012859 398891463 /nfs/dbraw/zinc/89/14/63/398891463.db2.gz PIXJLUKBNKNVOM-RYUDHWBXSA-N 1 1 307.394 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000595012859 398891466 /nfs/dbraw/zinc/89/14/66/398891466.db2.gz PIXJLUKBNKNVOM-RYUDHWBXSA-N 1 1 307.394 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@H+]1CCC[C@H](C)C1 ZINC000595009209 398890741 /nfs/dbraw/zinc/89/07/41/398890741.db2.gz FQAIAHWVMUBXQP-KBPBESRZSA-N 1 1 321.421 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCC[C@H](C)C1 ZINC000595009209 398890742 /nfs/dbraw/zinc/89/07/42/398890742.db2.gz FQAIAHWVMUBXQP-KBPBESRZSA-N 1 1 321.421 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000595030206 398895342 /nfs/dbraw/zinc/89/53/42/398895342.db2.gz YPINTUDLXYIJNA-WWGRRREGSA-N 1 1 321.421 2.983 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@H]1C ZINC000595030206 398895343 /nfs/dbraw/zinc/89/53/43/398895343.db2.gz YPINTUDLXYIJNA-WWGRRREGSA-N 1 1 321.421 2.983 20 5 DFBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000598998076 398905634 /nfs/dbraw/zinc/90/56/34/398905634.db2.gz LXAQTTPCQDUKLN-OAHLLOKOSA-N 1 1 307.369 2.840 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)c(F)c1 ZINC000598998076 398905637 /nfs/dbraw/zinc/90/56/37/398905637.db2.gz LXAQTTPCQDUKLN-OAHLLOKOSA-N 1 1 307.369 2.840 20 5 DFBDMO Cc1cc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCOCC2)on1 ZINC000599021252 398908775 /nfs/dbraw/zinc/90/87/75/398908775.db2.gz WIIIVCOWSBCSBK-UHFFFAOYSA-N 1 1 317.345 2.687 20 5 DFBDMO C[C@@H]1CCCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000187906788 200174774 /nfs/dbraw/zinc/17/47/74/200174774.db2.gz QVQSKJIEEMYJPC-CYBMUJFWSA-N 1 1 305.378 2.680 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000188101815 200194124 /nfs/dbraw/zinc/19/41/24/200194124.db2.gz LGAJRMBGMIAAJY-HSRYQADGSA-N 1 1 318.373 2.739 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000595300267 398918498 /nfs/dbraw/zinc/91/84/98/398918498.db2.gz OKJUVAZTYDXNTJ-AWEZNQCLSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000595300267 398918501 /nfs/dbraw/zinc/91/85/01/398918501.db2.gz OKJUVAZTYDXNTJ-AWEZNQCLSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000595300268 398919119 /nfs/dbraw/zinc/91/91/19/398919119.db2.gz OKJUVAZTYDXNTJ-CQSZACIVSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000595300268 398919121 /nfs/dbraw/zinc/91/91/21/398919121.db2.gz OKJUVAZTYDXNTJ-CQSZACIVSA-N 1 1 304.325 2.768 20 5 DFBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599093457 398920144 /nfs/dbraw/zinc/92/01/44/398920144.db2.gz TWAJTVAFGADUGN-ZDUSSCGKSA-N 1 1 300.362 2.673 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000595305031 398920520 /nfs/dbraw/zinc/92/05/20/398920520.db2.gz AIYMOKMHUPNSAQ-AWEZNQCLSA-N 1 1 304.325 2.595 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000595305031 398920521 /nfs/dbraw/zinc/92/05/21/398920521.db2.gz AIYMOKMHUPNSAQ-AWEZNQCLSA-N 1 1 304.325 2.595 20 5 DFBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595309928 398921209 /nfs/dbraw/zinc/92/12/09/398921209.db2.gz ZVQLXJOAPYQEMA-JTQLQIEISA-N 1 1 310.325 2.507 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595319960 398921908 /nfs/dbraw/zinc/92/19/08/398921908.db2.gz UWJXKWWTQMJDTN-IUODEOHRSA-N 1 1 307.369 2.793 20 5 DFBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000595336932 398923393 /nfs/dbraw/zinc/92/33/93/398923393.db2.gz IOYQMYFPCIWGNQ-GFCCVEGCSA-N 1 1 318.352 2.532 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000595346184 398925145 /nfs/dbraw/zinc/92/51/45/398925145.db2.gz GGRYXEISJXIZLZ-CQSZACIVSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000595346184 398925146 /nfs/dbraw/zinc/92/51/46/398925146.db2.gz GGRYXEISJXIZLZ-CQSZACIVSA-N 1 1 317.320 2.782 20 5 DFBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000188799962 200304946 /nfs/dbraw/zinc/30/49/46/200304946.db2.gz IQNICVGLYBMEEY-UHFFFAOYSA-N 1 1 309.341 2.937 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000188992882 200332892 /nfs/dbraw/zinc/33/28/92/200332892.db2.gz UUBBMVYUEBJHFW-UHFFFAOYSA-N 1 1 319.405 2.884 20 5 DFBDMO CO[C@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCOC1 ZINC000595387021 398930894 /nfs/dbraw/zinc/93/08/94/398930894.db2.gz MRJTZLNSDFQNBS-WMLDXEAASA-N 1 1 320.389 2.611 20 5 DFBDMO CO[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCOC1 ZINC000595387018 398930948 /nfs/dbraw/zinc/93/09/48/398930948.db2.gz MRJTZLNSDFQNBS-PBHICJAKSA-N 1 1 320.389 2.611 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000595392544 398931328 /nfs/dbraw/zinc/93/13/28/398931328.db2.gz NXOLLPCNVHRAED-UHFFFAOYSA-N 1 1 304.325 2.837 20 5 DFBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471804149 299306673 /nfs/dbraw/zinc/30/66/73/299306673.db2.gz KZBKJPUANHQXTM-IINYFYTJSA-N 1 1 319.386 2.673 20 5 DFBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471804149 299306675 /nfs/dbraw/zinc/30/66/75/299306675.db2.gz KZBKJPUANHQXTM-IINYFYTJSA-N 1 1 319.386 2.673 20 5 DFBDMO C[N@H+]1CCCC12CCN(Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595412800 398933461 /nfs/dbraw/zinc/93/34/61/398933461.db2.gz RLGQARFYIYICJO-UHFFFAOYSA-N 1 1 307.369 2.794 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000417339834 296012022 /nfs/dbraw/zinc/01/20/22/296012022.db2.gz ONEDOEBZCNFWFI-ZFWWWQNUSA-N 1 1 312.373 2.807 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(C(C)C)nc1C ZINC000281215995 216160215 /nfs/dbraw/zinc/16/02/15/216160215.db2.gz CRWQQFBCVYWEMG-UHFFFAOYSA-N 1 1 318.377 2.979 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281237172 216174889 /nfs/dbraw/zinc/17/48/89/216174889.db2.gz LLFOKLIUAXLDCI-CYBMUJFWSA-N 1 1 324.377 2.613 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281237172 216174891 /nfs/dbraw/zinc/17/48/91/216174891.db2.gz LLFOKLIUAXLDCI-CYBMUJFWSA-N 1 1 324.377 2.613 20 5 DFBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000595465762 398944699 /nfs/dbraw/zinc/94/46/99/398944699.db2.gz FUQFIGVMTKUOSP-MGPQQGTHSA-N 1 1 323.393 2.797 20 5 DFBDMO COc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])sn1 ZINC000595482986 398947879 /nfs/dbraw/zinc/94/78/79/398947879.db2.gz DKESGQHTFGLBMM-UHFFFAOYSA-N 1 1 307.375 2.734 20 5 DFBDMO COc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])sn1 ZINC000595482986 398947882 /nfs/dbraw/zinc/94/78/82/398947882.db2.gz DKESGQHTFGLBMM-UHFFFAOYSA-N 1 1 307.375 2.734 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000595487683 398948455 /nfs/dbraw/zinc/94/84/55/398948455.db2.gz HVGJDBTWNANPPT-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000595487683 398948457 /nfs/dbraw/zinc/94/84/57/398948457.db2.gz HVGJDBTWNANPPT-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO Cn1cnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000595519740 398956115 /nfs/dbraw/zinc/95/61/15/398956115.db2.gz CADFTHHNKYIRQF-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO CC(C)c1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000275944502 212594066 /nfs/dbraw/zinc/59/40/66/212594066.db2.gz YZFPOJDKHBXVLS-ZDUSSCGKSA-N 1 1 319.405 2.742 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000595528447 398957287 /nfs/dbraw/zinc/95/72/87/398957287.db2.gz YGPIDVQXGFFJDE-CYBMUJFWSA-N 1 1 317.345 2.971 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@H]2COc2ccccc2)c1[N+](=O)[O-] ZINC000595530068 398957367 /nfs/dbraw/zinc/95/73/67/398957367.db2.gz ROLYTDDVHVTNQK-ZDUSSCGKSA-N 1 1 317.345 2.935 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H]2COc2ccccc2)c1[N+](=O)[O-] ZINC000595530068 398957368 /nfs/dbraw/zinc/95/73/68/398957368.db2.gz ROLYTDDVHVTNQK-ZDUSSCGKSA-N 1 1 317.345 2.935 20 5 DFBDMO CC[N@H+]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000595536125 398959343 /nfs/dbraw/zinc/95/93/43/398959343.db2.gz MQKBWWTYYJRGOR-ZDUSSCGKSA-N 1 1 307.394 2.520 20 5 DFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000078507037 398961530 /nfs/dbraw/zinc/96/15/30/398961530.db2.gz FKJNKSYUNKGKNE-MRXNPFEDSA-N 1 1 312.373 2.701 20 5 DFBDMO Cc1cc(NC[C@H]2CCc3[nH+]ccn3C2)c(F)cc1[N+](=O)[O-] ZINC000292646228 223183092 /nfs/dbraw/zinc/18/30/92/223183092.db2.gz OYJCSGWGGXMRNW-LLVKDONJSA-N 1 1 304.325 2.913 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1cc(N)ccc1[N+](=O)[O-] ZINC000193529293 201068976 /nfs/dbraw/zinc/06/89/76/201068976.db2.gz HVTSQMCDNLJEDL-UHFFFAOYSA-N 1 1 317.393 2.853 20 5 DFBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000194643940 201267452 /nfs/dbraw/zinc/26/74/52/201267452.db2.gz FCMRHLBLKREFKQ-LLVKDONJSA-N 1 1 323.418 2.531 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194678934 201271487 /nfs/dbraw/zinc/27/14/87/201271487.db2.gz SLIICZQVBSKEAW-CYBMUJFWSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608349 398997068 /nfs/dbraw/zinc/99/70/68/398997068.db2.gz OAQRDQHBLURVBL-ZIAGYGMSSA-N 1 1 315.377 2.578 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000600206696 399005301 /nfs/dbraw/zinc/00/53/01/399005301.db2.gz HIHOVVZHHUXFRC-BUPRPMBJSA-N 1 1 302.374 2.702 20 5 DFBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCc2ccccc21 ZINC000595631107 399010488 /nfs/dbraw/zinc/01/04/88/399010488.db2.gz FKUANWUKEAQAJZ-UHFFFAOYSA-N 1 1 314.389 2.627 20 5 DFBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600229521 399013240 /nfs/dbraw/zinc/01/32/40/399013240.db2.gz UXLNSOAKQKHIKT-INIZCTEOSA-N 1 1 317.389 2.732 20 5 DFBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000600229562 399013257 /nfs/dbraw/zinc/01/32/57/399013257.db2.gz VXDPKBGEPQWPAO-GFCCVEGCSA-N 1 1 323.418 2.793 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275451493 212341927 /nfs/dbraw/zinc/34/19/27/212341927.db2.gz XVSJXRXUVCLIAL-CYBMUJFWSA-N 1 1 318.421 2.731 20 5 DFBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000595669518 399027931 /nfs/dbraw/zinc/02/79/31/399027931.db2.gz VVNCKGFBJLSSCG-SNVBAGLBSA-N 1 1 320.374 2.731 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000599648543 399043524 /nfs/dbraw/zinc/04/35/24/399043524.db2.gz AAPIJKLJZDPKTQ-XHSDSOJGSA-N 1 1 318.373 2.758 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595701114 399044522 /nfs/dbraw/zinc/04/45/22/399044522.db2.gz PWHFWUBJPCWGLG-PBHICJAKSA-N 1 1 322.405 2.847 20 5 DFBDMO CCC(O)(CC)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599673660 399054817 /nfs/dbraw/zinc/05/48/17/399054817.db2.gz SUNAIVSINMYAGS-UHFFFAOYSA-N 1 1 310.394 2.847 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600471215 399058555 /nfs/dbraw/zinc/05/85/55/399058555.db2.gz JVVPVWXIZRWDSN-HNNXBMFYSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600474584 399058674 /nfs/dbraw/zinc/05/86/74/399058674.db2.gz ZISHCUWWUZPSHR-AWEZNQCLSA-N 1 1 317.389 2.650 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599681404 399060730 /nfs/dbraw/zinc/06/07/30/399060730.db2.gz QDCSBPYGTGSZBL-XGWLTEMNSA-N 1 1 320.389 2.727 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748597 399068246 /nfs/dbraw/zinc/06/82/46/399068246.db2.gz AQNSGFUYFMNIIQ-HNNXBMFYSA-N 1 1 310.781 2.985 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748597 399068253 /nfs/dbraw/zinc/06/82/53/399068253.db2.gz AQNSGFUYFMNIIQ-HNNXBMFYSA-N 1 1 310.781 2.985 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000595772790 399078662 /nfs/dbraw/zinc/07/86/62/399078662.db2.gz VDDOIHZUPWKXBM-SWLSCSKDSA-N 1 1 308.378 2.727 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000595785791 399085733 /nfs/dbraw/zinc/08/57/33/399085733.db2.gz GOWMXIIVEZJJJH-OLZOCXBDSA-N 1 1 309.366 2.672 20 5 DFBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253460 193180343 /nfs/dbraw/zinc/18/03/43/193180343.db2.gz TVEVAJJLSAUZAJ-RZIFZGNASA-N 1 1 303.406 2.882 20 5 DFBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599778323 399089408 /nfs/dbraw/zinc/08/94/08/399089408.db2.gz CRNCHLPMNHDHJY-OAHLLOKOSA-N 1 1 318.377 2.733 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595810748 399094931 /nfs/dbraw/zinc/09/49/31/399094931.db2.gz NKSARIQSDAOSAA-AVGNSLFASA-N 1 1 303.362 2.572 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595810748 399094933 /nfs/dbraw/zinc/09/49/33/399094933.db2.gz NKSARIQSDAOSAA-AVGNSLFASA-N 1 1 303.362 2.572 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821937 399099768 /nfs/dbraw/zinc/09/97/68/399099768.db2.gz JADMZZJGQNZEKZ-UHFFFAOYSA-N 1 1 302.374 2.986 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821937 399099772 /nfs/dbraw/zinc/09/97/72/399099772.db2.gz JADMZZJGQNZEKZ-UHFFFAOYSA-N 1 1 302.374 2.986 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595826969 399101508 /nfs/dbraw/zinc/10/15/08/399101508.db2.gz BNPRAPDDWDWBJC-DZGCQCFKSA-N 1 1 320.389 2.850 20 5 DFBDMO CC(C)NC(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595849070 399112488 /nfs/dbraw/zinc/11/24/88/399112488.db2.gz DWSRUBUPEYSROP-KGLIPLIRSA-N 1 1 319.405 2.892 20 5 DFBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595857736 399114849 /nfs/dbraw/zinc/11/48/49/399114849.db2.gz NVOBWHTYFWYQIL-YHWZYXNKSA-N 1 1 303.362 2.796 20 5 DFBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595857604 399115006 /nfs/dbraw/zinc/11/50/06/399115006.db2.gz MCRLIMIYRFNRPA-HUORLRHWSA-N 1 1 320.389 2.597 20 5 DFBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595867080 399117139 /nfs/dbraw/zinc/11/71/39/399117139.db2.gz KORDHCCVOMNOJK-SMDDNHRTSA-N 1 1 305.378 2.847 20 5 DFBDMO C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293710578 296146498 /nfs/dbraw/zinc/14/64/98/296146498.db2.gz LYHHSJZOMMDYSZ-QWHCGFSZSA-N 1 1 306.410 2.702 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611602 193274576 /nfs/dbraw/zinc/27/45/76/193274576.db2.gz MVHUFCKIOZPZAS-LQPUYASZSA-N 1 1 316.279 2.607 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000093611602 193274577 /nfs/dbraw/zinc/27/45/77/193274577.db2.gz MVHUFCKIOZPZAS-LQPUYASZSA-N 1 1 316.279 2.607 20 5 DFBDMO CN(C)CC[N@@H+](C)CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000341037682 284231914 /nfs/dbraw/zinc/23/19/14/284231914.db2.gz LMLMBQQOGYXKHE-UHFFFAOYSA-N 1 1 314.817 2.544 20 5 DFBDMO CN(CCCNc1ccc(Cl)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000341037682 284231916 /nfs/dbraw/zinc/23/19/16/284231916.db2.gz LMLMBQQOGYXKHE-UHFFFAOYSA-N 1 1 314.817 2.544 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080464231 399150372 /nfs/dbraw/zinc/15/03/72/399150372.db2.gz VVGPNVLCUWHPON-QWHCGFSZSA-N 1 1 303.362 2.716 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000341230408 284253813 /nfs/dbraw/zinc/25/38/13/284253813.db2.gz SIFLDBMAACUXKE-HNNXBMFYSA-N 1 1 304.321 2.947 20 5 DFBDMO [NH3+]CC(F)(F)c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600792469 399148879 /nfs/dbraw/zinc/14/88/79/399148879.db2.gz IYTXQEZSEZEODU-UHFFFAOYSA-N 1 1 322.311 2.847 20 5 DFBDMO Cc1nn(C)c(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000271745507 209176773 /nfs/dbraw/zinc/17/67/73/209176773.db2.gz AUDIJKMSQYCYAD-GFCCVEGCSA-N 1 1 317.393 2.569 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271726130 209160119 /nfs/dbraw/zinc/16/01/19/209160119.db2.gz MDEVBGRJFCBJNA-ZDUSSCGKSA-N 1 1 305.378 2.504 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1Cc2ccccc2[C@H]1O ZINC000282492403 217038240 /nfs/dbraw/zinc/03/82/40/217038240.db2.gz PYPVQEQAQGUBBZ-ZWKOTPCHSA-N 1 1 312.369 2.727 20 5 DFBDMO CCn1nccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000596095341 399170772 /nfs/dbraw/zinc/17/07/72/399170772.db2.gz PDNIBHJMOPGIPM-LLVKDONJSA-N 1 1 304.350 2.671 20 5 DFBDMO COc1cc(N[C@@H]2CCc3[nH+]ccn3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596100041 399173267 /nfs/dbraw/zinc/17/32/67/399173267.db2.gz ZLZGNVAFJOPWOC-SECBINFHSA-N 1 1 322.752 2.880 20 5 DFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000080747751 399175145 /nfs/dbraw/zinc/17/51/45/399175145.db2.gz AVMFLNOLOOQNBI-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000342036025 284313830 /nfs/dbraw/zinc/31/38/30/284313830.db2.gz QTCABPIPNWTGKO-LBPRGKRZSA-N 1 1 311.407 2.537 20 5 DFBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000342036025 284313834 /nfs/dbraw/zinc/31/38/34/284313834.db2.gz QTCABPIPNWTGKO-LBPRGKRZSA-N 1 1 311.407 2.537 20 5 DFBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000063257364 399181602 /nfs/dbraw/zinc/18/16/02/399181602.db2.gz TWROLHWNYORXDB-PHIMTYICSA-N 1 1 313.423 2.956 20 5 DFBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000063257364 399181607 /nfs/dbraw/zinc/18/16/07/399181607.db2.gz TWROLHWNYORXDB-PHIMTYICSA-N 1 1 313.423 2.956 20 5 DFBDMO COc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000596156392 399194861 /nfs/dbraw/zinc/19/48/61/399194861.db2.gz OVCFSSJEJLUNJJ-NEPJUHHUSA-N 1 1 305.378 2.949 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342523679 284357384 /nfs/dbraw/zinc/35/73/84/284357384.db2.gz KQVNDDYKRIQBOB-LBPRGKRZSA-N 1 1 308.382 2.837 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000063615532 399197917 /nfs/dbraw/zinc/19/79/17/399197917.db2.gz MXYLNCPNNDSIQK-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000600998535 399198944 /nfs/dbraw/zinc/19/89/44/399198944.db2.gz WQRALIZXAGWGNW-VXGBXAGGSA-N 1 1 323.368 2.584 20 5 DFBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000063778370 399207867 /nfs/dbraw/zinc/20/78/67/399207867.db2.gz BKXUIWBLMKLOPB-UHFFFAOYSA-N 1 1 319.405 2.931 20 5 DFBDMO C[C@@H]([NH2+]Cc1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000266831855 205633584 /nfs/dbraw/zinc/63/35/84/205633584.db2.gz DVHSVAGEIDDLFD-GFCCVEGCSA-N 1 1 300.362 2.978 20 5 DFBDMO Cn1cnnc1[C@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601135177 399237343 /nfs/dbraw/zinc/23/73/43/399237343.db2.gz BEQXFIDLISPCEY-OAHLLOKOSA-N 1 1 324.344 2.613 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCO[C@H](C4CC4)C3)c2c1 ZINC000601143764 399240364 /nfs/dbraw/zinc/24/03/64/399240364.db2.gz KCVKKMHVTGYUPV-PXAZEXFGSA-N 1 1 313.357 2.934 20 5 DFBDMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000023991299 182371649 /nfs/dbraw/zinc/37/16/49/182371649.db2.gz OBPYPKONPLBPFZ-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000023991299 182371650 /nfs/dbraw/zinc/37/16/50/182371650.db2.gz OBPYPKONPLBPFZ-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H]4CC[C@@H](O)C[C@@H]4C3)c2c1 ZINC000601177175 399249422 /nfs/dbraw/zinc/24/94/22/399249422.db2.gz WISCXIJDJDBYNW-OUCADQQQSA-N 1 1 313.357 2.740 20 5 DFBDMO C[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000601198768 399253433 /nfs/dbraw/zinc/25/34/33/399253433.db2.gz GOSXOQCGEIIMLN-RYUDHWBXSA-N 1 1 301.346 2.598 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H]3CCC[C@H]31)OCCO2 ZINC000614662864 399257692 /nfs/dbraw/zinc/25/76/92/399257692.db2.gz FOUZXXOMYPGINS-DGCLKSJQSA-N 1 1 304.346 2.740 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H]3CCC[C@@H]31)OCCO2 ZINC000614662866 399257814 /nfs/dbraw/zinc/25/78/14/399257814.db2.gz FOUZXXOMYPGINS-YPMHNXCESA-N 1 1 304.346 2.740 20 5 DFBDMO O=[N+]([O-])c1ncccc1N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614735503 399264405 /nfs/dbraw/zinc/26/44/05/399264405.db2.gz ZLIGYRUADYAAFK-GFCCVEGCSA-N 1 1 313.361 2.517 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000421362903 296248423 /nfs/dbraw/zinc/24/84/23/296248423.db2.gz OHCLKUOQAVJHMB-SXIRTYMMSA-N 1 1 304.390 2.948 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000421374428 296249956 /nfs/dbraw/zinc/24/99/56/296249956.db2.gz OUKRMNLBJYGZGN-YFCVBGDOSA-N 1 1 302.374 2.987 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000421497783 296260754 /nfs/dbraw/zinc/26/07/54/296260754.db2.gz RFFKFEFXXVHDDE-KGLIPLIRSA-N 1 1 319.405 2.766 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000421557226 296265618 /nfs/dbraw/zinc/26/56/18/296265618.db2.gz QWSNIRDTJQNBNP-AGUYFDCRSA-N 1 1 317.389 2.567 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000608835960 399299106 /nfs/dbraw/zinc/29/91/06/399299106.db2.gz CAWOZLJRBKNEAK-VPIBYOGUSA-N 1 1 301.390 2.824 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000608835960 399299109 /nfs/dbraw/zinc/29/91/09/399299109.db2.gz CAWOZLJRBKNEAK-VPIBYOGUSA-N 1 1 301.390 2.824 20 5 DFBDMO C[C@@H](O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000609194171 399308949 /nfs/dbraw/zinc/30/89/49/399308949.db2.gz AMDDNTBYPXJSIH-CQSZACIVSA-N 1 1 322.405 2.989 20 5 DFBDMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609258865 399311034 /nfs/dbraw/zinc/31/10/34/399311034.db2.gz ZLKMKAVCBCHFBZ-OAHLLOKOSA-N 1 1 314.345 2.577 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000609541010 399321952 /nfs/dbraw/zinc/32/19/52/399321952.db2.gz SXCWVQWFCWBMJD-XJKSGUPXSA-N 1 1 317.389 2.743 20 5 DFBDMO CC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000609540924 399322016 /nfs/dbraw/zinc/32/20/16/399322016.db2.gz RWJBDQACTHLMPX-UKRRQHHQSA-N 1 1 308.378 2.863 20 5 DFBDMO CC[N@@H+](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000102573595 193899253 /nfs/dbraw/zinc/89/92/53/193899253.db2.gz GYTUFRBNWYZNGV-UHFFFAOYSA-N 1 1 308.382 2.755 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284695811 218136774 /nfs/dbraw/zinc/13/67/74/218136774.db2.gz IFDGOBLYLTWMBP-ZFWWWQNUSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1ncccc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000619501277 399354404 /nfs/dbraw/zinc/35/44/04/399354404.db2.gz OHZLGUVTMGXZQT-IYBDPMFKSA-N 1 1 324.384 2.558 20 5 DFBDMO CC1=C[C@@H](C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619535007 399358532 /nfs/dbraw/zinc/35/85/32/399358532.db2.gz UAEKGWSDEYGZIU-LLVKDONJSA-N 1 1 304.346 2.764 20 5 DFBDMO CC1=C[C@@H](C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619535007 399358533 /nfs/dbraw/zinc/35/85/33/399358533.db2.gz UAEKGWSDEYGZIU-LLVKDONJSA-N 1 1 304.346 2.764 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000619531608 399358673 /nfs/dbraw/zinc/35/86/73/399358673.db2.gz OQIIRJIMQKGZFM-KRWDZBQOSA-N 1 1 316.357 2.601 20 5 DFBDMO CCOc1cccc(N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000273844512 211109021 /nfs/dbraw/zinc/10/90/21/211109021.db2.gz IMYPZKGBAPBVNV-ZDUSSCGKSA-N 1 1 307.394 2.772 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(F)c1 ZINC000610476212 399371046 /nfs/dbraw/zinc/37/10/46/399371046.db2.gz AITUUPHMVYGCOD-GFCCVEGCSA-N 1 1 304.325 2.837 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)c(F)c1 ZINC000610476664 399371618 /nfs/dbraw/zinc/37/16/18/399371618.db2.gz TXSUXNYJYYQDKX-CQSZACIVSA-N 1 1 304.325 2.595 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2Cn2cccn2)c(F)c1 ZINC000610476664 399371622 /nfs/dbraw/zinc/37/16/22/399371622.db2.gz TXSUXNYJYYQDKX-CQSZACIVSA-N 1 1 304.325 2.595 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601970997 399372314 /nfs/dbraw/zinc/37/23/14/399372314.db2.gz SMTMHVMORNYBPW-DOMZBBRYSA-N 1 1 305.378 2.599 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601970997 399372317 /nfs/dbraw/zinc/37/23/17/399372317.db2.gz SMTMHVMORNYBPW-DOMZBBRYSA-N 1 1 305.378 2.599 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000610576038 399381444 /nfs/dbraw/zinc/38/14/44/399381444.db2.gz GOOLEPWUMOJAAD-ZIAGYGMSSA-N 1 1 304.394 2.751 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000610585363 399383712 /nfs/dbraw/zinc/38/37/12/399383712.db2.gz MFVMSEVBBFJXSS-SWLSCSKDSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1nccn1CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285339553 218388684 /nfs/dbraw/zinc/38/86/84/218388684.db2.gz OTKBJOVTQWFMHA-UHFFFAOYSA-N 1 1 302.378 2.664 20 5 DFBDMO COc1ccc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602129087 399398913 /nfs/dbraw/zinc/39/89/13/399398913.db2.gz COXMAFZBITZXBC-CYBMUJFWSA-N 1 1 319.361 2.559 20 5 DFBDMO COc1ccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602129087 399398917 /nfs/dbraw/zinc/39/89/17/399398917.db2.gz COXMAFZBITZXBC-CYBMUJFWSA-N 1 1 319.361 2.559 20 5 DFBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000110974890 194376599 /nfs/dbraw/zinc/37/65/99/194376599.db2.gz SHTANTRDAIVTLD-GFCCVEGCSA-N 1 1 323.393 2.818 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000610765565 399404065 /nfs/dbraw/zinc/40/40/65/399404065.db2.gz WMIARBMJWNPJBW-INIZCTEOSA-N 1 1 313.357 2.781 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000616121606 399424180 /nfs/dbraw/zinc/42/41/80/399424180.db2.gz OZFGUVYJMZPARG-TZMCWYRMSA-N 1 1 320.393 2.673 20 5 DFBDMO CC[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000611084541 399433067 /nfs/dbraw/zinc/43/30/67/399433067.db2.gz CMLINJQEUKHWSO-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO C[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602425869 399441035 /nfs/dbraw/zinc/44/10/35/399441035.db2.gz XELVXGLFCBDGOL-UHFFFAOYSA-N 1 1 317.311 2.751 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000611179962 399442858 /nfs/dbraw/zinc/44/28/58/399442858.db2.gz OPDBKDYQMZFQBN-NSHDSACASA-N 1 1 300.305 2.951 20 5 DFBDMO Cn1cc(C[NH+]2CCC(OC3CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602450844 399447972 /nfs/dbraw/zinc/44/79/72/399447972.db2.gz BHSDJSGOXUUQSF-UHFFFAOYSA-N 1 1 322.409 2.642 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CCSCC3)C2)nc1 ZINC000602472114 399453496 /nfs/dbraw/zinc/45/34/96/399453496.db2.gz GURXQHXRAFDNHR-CYBMUJFWSA-N 1 1 322.434 2.619 20 5 DFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccn(C(F)F)c1=O ZINC000602440687 399445067 /nfs/dbraw/zinc/44/50/67/399445067.db2.gz ROGPAQGVZILABA-UHFFFAOYSA-N 1 1 323.299 2.784 20 5 DFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccn(C(F)F)c1=O ZINC000602440687 399445069 /nfs/dbraw/zinc/44/50/69/399445069.db2.gz ROGPAQGVZILABA-UHFFFAOYSA-N 1 1 323.299 2.784 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602474567 399455386 /nfs/dbraw/zinc/45/53/86/399455386.db2.gz YWTBFTKRZCUVHI-QGZVFWFLSA-N 1 1 314.389 2.882 20 5 DFBDMO Cc1nc(CC[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)no1 ZINC000269093499 207235432 /nfs/dbraw/zinc/23/54/32/207235432.db2.gz MICSNUNCARJKSF-UHFFFAOYSA-N 1 1 310.741 2.614 20 5 DFBDMO C[N@H+](CCOC(C)(C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274735 399456846 /nfs/dbraw/zinc/45/68/46/399456846.db2.gz RCQUVOJNWZSFOO-UHFFFAOYSA-N 1 1 324.377 2.613 20 5 DFBDMO C[N@@H+](CCOC(C)(C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274735 399456848 /nfs/dbraw/zinc/45/68/48/399456848.db2.gz RCQUVOJNWZSFOO-UHFFFAOYSA-N 1 1 324.377 2.613 20 5 DFBDMO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611275644 399456857 /nfs/dbraw/zinc/45/68/57/399456857.db2.gz PSIALVHMIRYCEU-CABCVRRESA-N 1 1 319.405 2.749 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611275644 399456858 /nfs/dbraw/zinc/45/68/58/399456858.db2.gz PSIALVHMIRYCEU-CABCVRRESA-N 1 1 319.405 2.749 20 5 DFBDMO CCCCN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602535927 399470086 /nfs/dbraw/zinc/47/00/86/399470086.db2.gz PCLRZVLTSCDZCN-UHFFFAOYSA-N 1 1 305.422 2.991 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000065535711 184362667 /nfs/dbraw/zinc/36/26/67/184362667.db2.gz UGIBXDJWWAGZAF-ZDUSSCGKSA-N 1 1 316.361 2.576 20 5 DFBDMO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422740154 296324487 /nfs/dbraw/zinc/32/44/87/296324487.db2.gz MNFJUIZKTQGOCV-KSSFIOAISA-N 1 1 313.401 2.685 20 5 DFBDMO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422740152 296324528 /nfs/dbraw/zinc/32/45/28/296324528.db2.gz MNFJUIZKTQGOCV-KBXCAEBGSA-N 1 1 313.401 2.685 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000611522454 399488038 /nfs/dbraw/zinc/48/80/38/399488038.db2.gz ZZEKYWGJABLTHD-GFCCVEGCSA-N 1 1 306.391 2.998 20 5 DFBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC(O)C1 ZINC000602610796 399490129 /nfs/dbraw/zinc/49/01/29/399490129.db2.gz AHULSARUJHUUEK-UHFFFAOYSA-N 1 1 304.268 2.569 20 5 DFBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC(O)C1 ZINC000602610796 399490132 /nfs/dbraw/zinc/49/01/32/399490132.db2.gz AHULSARUJHUUEK-UHFFFAOYSA-N 1 1 304.268 2.569 20 5 DFBDMO Cc1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000611567449 399492678 /nfs/dbraw/zinc/49/26/78/399492678.db2.gz XRTBQUNIZBAZMP-LLVKDONJSA-N 1 1 314.345 2.678 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)nc2c1 ZINC000602653160 399503847 /nfs/dbraw/zinc/50/38/47/399503847.db2.gz NALIWGLFRRIEQZ-DZGCQCFKSA-N 1 1 317.345 2.879 20 5 DFBDMO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C1=CC[N@@H+](C)CC1 ZINC000611713527 399510638 /nfs/dbraw/zinc/51/06/38/399510638.db2.gz DHBXZGGALMVQKE-NSHDSACASA-N 1 1 313.361 2.600 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668053 399511262 /nfs/dbraw/zinc/51/12/62/399511262.db2.gz SIDMOAGHQBMQJS-BXUZGUMPSA-N 1 1 318.377 2.508 20 5 DFBDMO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000295856179 533025151 /nfs/dbraw/zinc/02/51/51/533025151.db2.gz BNLPINSWDFDPOW-FGWVZKOKSA-N 1 1 309.341 2.780 20 5 DFBDMO COc1cc(NCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])cc1OC ZINC000302165174 533029620 /nfs/dbraw/zinc/02/96/20/533029620.db2.gz RBHMLNNKSDTCKL-UHFFFAOYSA-N 1 1 321.377 2.676 20 5 DFBDMO Cn1cc(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)c([N+](=O)[O-])n1 ZINC000602699259 399527116 /nfs/dbraw/zinc/52/71/16/399527116.db2.gz LNWOUZFAECPKNT-INIZCTEOSA-N 1 1 318.352 2.631 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)c([N+](=O)[O-])n1 ZINC000602699259 399527119 /nfs/dbraw/zinc/52/71/19/399527119.db2.gz LNWOUZFAECPKNT-INIZCTEOSA-N 1 1 318.352 2.631 20 5 DFBDMO COc1cc(N[C@H]2CCc3[nH+]c(C)cn3C2)c(F)cc1[N+](=O)[O-] ZINC000302687333 533041366 /nfs/dbraw/zinc/04/13/66/533041366.db2.gz UFALNJSBQMEHJN-JTQLQIEISA-N 1 1 320.324 2.674 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCn1ccnc1C ZINC000159211171 197336303 /nfs/dbraw/zinc/33/63/03/197336303.db2.gz NSPRIRGPXUUBQV-UHFFFAOYSA-N 1 1 318.377 2.630 20 5 DFBDMO [NH3+]C[C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088464 296376738 /nfs/dbraw/zinc/37/67/38/296376738.db2.gz QFEHSUAXKCEFMG-ZWNOBZJWSA-N 1 1 317.311 2.831 20 5 DFBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000602751766 399556477 /nfs/dbraw/zinc/55/64/77/399556477.db2.gz LRPPDMALUBAKJB-AATOQMJSSA-N 1 1 301.390 2.634 20 5 DFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000602751766 399556479 /nfs/dbraw/zinc/55/64/79/399556479.db2.gz LRPPDMALUBAKJB-AATOQMJSSA-N 1 1 301.390 2.634 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000602777996 399569237 /nfs/dbraw/zinc/56/92/37/399569237.db2.gz AKUAPHWLYRFHMX-INIZCTEOSA-N 1 1 314.389 2.664 20 5 DFBDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000271267799 208760170 /nfs/dbraw/zinc/76/01/70/208760170.db2.gz AFHDBDBWLWIINV-JTQLQIEISA-N 1 1 305.309 2.988 20 5 DFBDMO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157963194 197230781 /nfs/dbraw/zinc/23/07/81/197230781.db2.gz JNMRBERDUXWBTJ-FZMZJTMJSA-N 1 1 324.402 2.636 20 5 DFBDMO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157963194 197230782 /nfs/dbraw/zinc/23/07/82/197230782.db2.gz JNMRBERDUXWBTJ-FZMZJTMJSA-N 1 1 324.402 2.636 20 5 DFBDMO Cc1ccc([C@H]2CCC[N@H+]2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602784649 399572103 /nfs/dbraw/zinc/57/21/03/399572103.db2.gz VBEOLWKOOPCANF-CYBMUJFWSA-N 1 1 304.350 2.838 20 5 DFBDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602783309 399572164 /nfs/dbraw/zinc/57/21/64/399572164.db2.gz KRTLXTMRZJKLIH-CHWSQXEVSA-N 1 1 312.439 2.706 20 5 DFBDMO O=[N+]([O-])c1ccccc1N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000301503222 285164136 /nfs/dbraw/zinc/16/41/36/285164136.db2.gz BRJNJMOLSSCEHW-UHFFFAOYSA-N 1 1 318.764 2.970 20 5 DFBDMO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000423193643 296390707 /nfs/dbraw/zinc/39/07/07/296390707.db2.gz XPXZSFBZUFCJNN-CQSZACIVSA-N 1 1 314.389 2.820 20 5 DFBDMO CCOc1cccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602802011 399581368 /nfs/dbraw/zinc/58/13/68/399581368.db2.gz OEOSNEROKADLCB-NSHDSACASA-N 1 1 304.350 2.578 20 5 DFBDMO C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000423212635 296393158 /nfs/dbraw/zinc/39/31/58/296393158.db2.gz ISWHSNXHNFMVRT-JDFRZJQESA-N 1 1 303.406 2.950 20 5 DFBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347816759 285187743 /nfs/dbraw/zinc/18/77/43/285187743.db2.gz RFNHDGGQGDBMCP-GFCCVEGCSA-N 1 1 322.409 2.553 20 5 DFBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000602815744 399587722 /nfs/dbraw/zinc/58/77/22/399587722.db2.gz FVQBPLLJMNQXSM-SECBINFHSA-N 1 1 317.374 2.789 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423278335 296400175 /nfs/dbraw/zinc/40/01/75/296400175.db2.gz QQXHXCIAIKFOAM-FPMFFAJLSA-N 1 1 307.394 2.772 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156566012 197123940 /nfs/dbraw/zinc/12/39/40/197123940.db2.gz RANWCFNHQSRJHY-CJNGLKHVSA-N 1 1 300.362 2.874 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000156428929 197112820 /nfs/dbraw/zinc/11/28/20/197112820.db2.gz DLKIFTVUOXZLHM-CJNGLKHVSA-N 1 1 300.362 2.874 20 5 DFBDMO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156425739 197112373 /nfs/dbraw/zinc/11/23/73/197112373.db2.gz ZVQUXSJHHNBMLW-YPMHNXCESA-N 1 1 306.391 2.936 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156425739 197112375 /nfs/dbraw/zinc/11/23/75/197112375.db2.gz ZVQUXSJHHNBMLW-YPMHNXCESA-N 1 1 306.391 2.936 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1nccs1 ZINC000271591246 209040738 /nfs/dbraw/zinc/04/07/38/209040738.db2.gz FVNCECMRSLAZDX-VHSXEESVSA-N 1 1 320.374 2.729 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000330852181 533218872 /nfs/dbraw/zinc/21/88/72/533218872.db2.gz MERJASYWGHZSJG-GJZGRUSLSA-N 1 1 322.405 2.832 20 5 DFBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000289715971 221174872 /nfs/dbraw/zinc/17/48/72/221174872.db2.gz PCIIBQWOHNCNFJ-HNNXBMFYSA-N 1 1 319.405 2.784 20 5 DFBDMO CC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289914786 221313936 /nfs/dbraw/zinc/31/39/36/221313936.db2.gz OEWBENHOJZJPPA-UHFFFAOYSA-N 1 1 320.130 2.651 20 5 DFBDMO Cc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000602961543 399640720 /nfs/dbraw/zinc/64/07/20/399640720.db2.gz BLLBIWOGMATZEU-KRWDZBQOSA-N 1 1 315.373 2.604 20 5 DFBDMO Cc1nsc(C)c1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962783 399641494 /nfs/dbraw/zinc/64/14/94/399641494.db2.gz OYTZLDQQPVTOIL-HNNXBMFYSA-N 1 1 321.402 2.665 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602998173 399655968 /nfs/dbraw/zinc/65/59/68/399655968.db2.gz YMAUOLZLVOCRRT-WPGHFRTFSA-N 1 1 308.353 2.859 20 5 DFBDMO C[C@@H]1C[C@H](CC(F)(F)F)[C@H](C)[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602967946 399642815 /nfs/dbraw/zinc/64/28/15/399642815.db2.gz VBWLZPKHSPUADZ-KXUCPTDWSA-N 1 1 320.315 2.880 20 5 DFBDMO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)n1 ZINC000290244437 221517408 /nfs/dbraw/zinc/51/74/08/221517408.db2.gz SVWPCDPKOISYTA-NSHDSACASA-N 1 1 317.345 2.858 20 5 DFBDMO CCC[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000120954914 195270857 /nfs/dbraw/zinc/27/08/57/195270857.db2.gz LOBJIMSRUJFDOL-GFCCVEGCSA-N 1 1 305.378 2.706 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+](C)Cc2ccccc2)n1 ZINC000121964028 195382553 /nfs/dbraw/zinc/38/25/53/195382553.db2.gz HOZAXEJRLNFVFR-UHFFFAOYSA-N 1 1 300.362 2.842 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccnn1C ZINC000355283661 533407396 /nfs/dbraw/zinc/40/73/96/533407396.db2.gz BPJCBMSXLWSQGN-UKTHLTGXSA-N 1 1 300.362 2.864 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ccnn1C ZINC000355283661 533407408 /nfs/dbraw/zinc/40/74/08/533407408.db2.gz BPJCBMSXLWSQGN-UKTHLTGXSA-N 1 1 300.362 2.864 20 5 DFBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000603398561 399765322 /nfs/dbraw/zinc/76/53/22/399765322.db2.gz AYGORNFBPWSPRA-UHFFFAOYSA-N 1 1 314.389 2.948 20 5 DFBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000603398774 399765892 /nfs/dbraw/zinc/76/58/92/399765892.db2.gz RANPSIZQMNDALW-HUUCEWRRSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)c1 ZINC000603395487 399764800 /nfs/dbraw/zinc/76/48/00/399764800.db2.gz FFBNQYYIANECCN-JKSUJKDBSA-N 1 1 319.405 2.814 20 5 DFBDMO Cc1ccnc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000603415547 399771122 /nfs/dbraw/zinc/77/11/22/399771122.db2.gz KPGBUNZKDDIDHZ-HOTGVXAUSA-N 1 1 324.384 2.761 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000604303563 399835707 /nfs/dbraw/zinc/83/57/07/399835707.db2.gz DYHDUFWTNAIUAA-HZSPNIEDSA-N 1 1 304.394 2.831 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC(F)(F)CO ZINC000184692020 296514445 /nfs/dbraw/zinc/51/44/45/296514445.db2.gz IEAWJSYEGZXRBK-DGCLKSJQSA-N 1 1 314.332 2.523 20 5 DFBDMO Cc1[nH+]ccn1C[C@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000302825101 543047654 /nfs/dbraw/zinc/04/76/54/543047654.db2.gz YEOZPJSMLVLGDQ-CYBMUJFWSA-N 1 1 304.325 2.908 20 5 DFBDMO O=[N+]([O-])c1ncccc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309782910 543065865 /nfs/dbraw/zinc/06/58/65/543065865.db2.gz FLABIDBVDPKGPP-HNNXBMFYSA-N 1 1 312.373 2.924 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000613301996 399844353 /nfs/dbraw/zinc/84/43/53/399844353.db2.gz PVCGADYUSBMBNO-OCCSQVGLSA-N 1 1 320.393 2.673 20 5 DFBDMO O=C(C[N@@H+]1CC[C@@H](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000339679945 543146542 /nfs/dbraw/zinc/14/65/42/543146542.db2.gz SRINLQQSMSZVBY-ZDUSSCGKSA-N 1 1 303.362 2.655 20 5 DFBDMO O=C(C[N@H+]1CC[C@@H](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000339679945 543146544 /nfs/dbraw/zinc/14/65/44/543146544.db2.gz SRINLQQSMSZVBY-ZDUSSCGKSA-N 1 1 303.362 2.655 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000152872318 145213337 /nfs/dbraw/zinc/21/33/37/145213337.db2.gz NOZIVEBPVZQOOH-RHSMWYFYSA-N 1 1 320.389 2.865 20 5 DFBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+](C2CC2)CC1 ZINC000171844601 145281504 /nfs/dbraw/zinc/28/15/04/145281504.db2.gz VVJVCUWSJRODHJ-UHFFFAOYSA-N 1 1 323.780 2.559 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc1 ZINC000173464130 145344207 /nfs/dbraw/zinc/34/42/07/145344207.db2.gz JNQLTYQTNUCRJC-AWEZNQCLSA-N 1 1 316.336 2.815 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245888209 146107228 /nfs/dbraw/zinc/10/72/28/146107228.db2.gz DYGUYZFZTIGKRN-IUODEOHRSA-N 1 1 305.378 2.646 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246640695 146147222 /nfs/dbraw/zinc/14/72/22/146147222.db2.gz JNDLXLJNXNKYKT-ZIAGYGMSSA-N 1 1 315.377 2.660 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000252667765 146222634 /nfs/dbraw/zinc/22/26/34/146222634.db2.gz NNFPNXURNYTHQR-NWDGAFQWSA-N 1 1 311.769 2.523 20 5 DFBDMO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261892004 146296450 /nfs/dbraw/zinc/29/64/50/146296450.db2.gz ZTJYHNDVRKBGCY-AEFFLSMTSA-N 1 1 311.385 2.769 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000262042780 146325978 /nfs/dbraw/zinc/32/59/78/146325978.db2.gz BZOIFRNUCGWIMI-YESZJQIVSA-N 1 1 303.406 2.995 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000262443498 146360119 /nfs/dbraw/zinc/36/01/19/146360119.db2.gz HDBIRYWHIXGRCM-INIZCTEOSA-N 1 1 307.369 2.698 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000354371285 147010352 /nfs/dbraw/zinc/01/03/52/147010352.db2.gz GSMAMUHADMWWLU-AWEZNQCLSA-N 1 1 319.405 2.898 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000354372307 147012374 /nfs/dbraw/zinc/01/23/74/147012374.db2.gz MKLZVIKHGDBJOG-CQSZACIVSA-N 1 1 319.405 2.898 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000354405861 147025481 /nfs/dbraw/zinc/02/54/81/147025481.db2.gz RSEOQVBGAVUXHI-UKRRQHHQSA-N 1 1 319.405 2.848 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000354435494 147034634 /nfs/dbraw/zinc/03/46/34/147034634.db2.gz PIQCYJGHNMNZRM-PWSUYJOCSA-N 1 1 311.407 2.601 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)cc1 ZINC000349896283 285966530 /nfs/dbraw/zinc/96/65/30/285966530.db2.gz QWBGPSYGPJKQKP-NSHDSACASA-N 1 1 311.301 2.571 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000355596382 147379347 /nfs/dbraw/zinc/37/93/47/147379347.db2.gz CRHKKIYXWHZPPC-QWHCGFSZSA-N 1 1 320.393 2.816 20 5 DFBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000350093018 286003460 /nfs/dbraw/zinc/00/34/60/286003460.db2.gz VKQRVTUPOKHIEQ-LSDHHAIUSA-N 1 1 324.425 2.707 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000358408706 148349402 /nfs/dbraw/zinc/34/94/02/148349402.db2.gz HBENTSLQUVFGJY-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000358408706 148349403 /nfs/dbraw/zinc/34/94/03/148349403.db2.gz HBENTSLQUVFGJY-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000360990237 149001235 /nfs/dbraw/zinc/00/12/35/149001235.db2.gz JZYKOQDEYAOMGW-CYBMUJFWSA-N 1 1 305.378 2.575 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000361054382 149018167 /nfs/dbraw/zinc/01/81/67/149018167.db2.gz BHHFODUGIYWCOR-CYBMUJFWSA-N 1 1 309.414 2.509 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000361703195 149196097 /nfs/dbraw/zinc/19/60/97/149196097.db2.gz ZWIQOLTXEXTGQE-OAHLLOKOSA-N 1 1 300.362 2.846 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361856259 149238136 /nfs/dbraw/zinc/23/81/36/149238136.db2.gz WPHMXVWKUWDNEX-QWHCGFSZSA-N 1 1 320.393 2.816 20 5 DFBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000362756817 149359702 /nfs/dbraw/zinc/35/97/02/149359702.db2.gz PLYYUOWTHKFKSV-WDEREUQCSA-N 1 1 323.418 2.529 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000362846634 149380069 /nfs/dbraw/zinc/38/00/69/149380069.db2.gz IFKHJWCSKHFVFI-UHFFFAOYSA-N 1 1 310.423 2.580 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000362846634 149380070 /nfs/dbraw/zinc/38/00/70/149380070.db2.gz IFKHJWCSKHFVFI-UHFFFAOYSA-N 1 1 310.423 2.580 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000351508560 286139089 /nfs/dbraw/zinc/13/90/89/286139089.db2.gz ITFJQCVGAJSARA-QWRGUYRKSA-N 1 1 311.357 2.661 20 5 DFBDMO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371334272 150024969 /nfs/dbraw/zinc/02/49/69/150024969.db2.gz GFZDETDRXNFUGL-LLVKDONJSA-N 1 1 323.780 2.919 20 5 DFBDMO O=C(C[N@H+]1CC[C@@H](C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371334272 150024974 /nfs/dbraw/zinc/02/49/74/150024974.db2.gz GFZDETDRXNFUGL-LLVKDONJSA-N 1 1 323.780 2.919 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000371331258 150025922 /nfs/dbraw/zinc/02/59/22/150025922.db2.gz GFARFZCGEBRMIC-KADIJHKTSA-N 1 1 302.374 2.966 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000371546295 150063314 /nfs/dbraw/zinc/06/33/14/150063314.db2.gz ZICHPSAXRDKMCH-BWTRYIQHSA-N 1 1 301.390 2.634 20 5 DFBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000373766634 150254985 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DFBDMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1[N+](=O)[O-] ZINC000374468583 150372294 /nfs/dbraw/zinc/37/22/94/150372294.db2.gz JJBLADVRZYAWIF-SMDDNHRTSA-N 1 1 300.362 2.834 20 5 DFBDMO COc1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000295035612 286229721 /nfs/dbraw/zinc/22/97/21/286229721.db2.gz WMNZVJYJSXDVEV-LLVKDONJSA-N 1 1 323.368 2.663 20 5 DFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358200 286352352 /nfs/dbraw/zinc/35/23/52/286352352.db2.gz WKOGDXPYGYCNEP-NWDGAFQWSA-N 1 1 300.362 2.672 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352417208 286368165 /nfs/dbraw/zinc/36/81/65/286368165.db2.gz YOVPOIQONAULDB-LBPRGKRZSA-N 1 1 308.382 2.837 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000246366752 158088249 /nfs/dbraw/zinc/08/82/49/158088249.db2.gz YCDXUYRBGWRNTK-ARFHVFGLSA-N 1 1 322.430 2.988 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000246955404 158108182 /nfs/dbraw/zinc/10/81/82/158108182.db2.gz RGCXCJSLXYPNFG-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000246955404 158108184 /nfs/dbraw/zinc/10/81/84/158108184.db2.gz RGCXCJSLXYPNFG-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247245915 158124317 /nfs/dbraw/zinc/12/43/17/158124317.db2.gz DRCFVPAIQCMCKN-HIFRSBDPSA-N 1 1 318.377 2.685 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247245930 158125079 /nfs/dbraw/zinc/12/50/79/158125079.db2.gz DRCFVPAIQCMCKN-ZFWWWQNUSA-N 1 1 318.377 2.685 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000247497220 158140067 /nfs/dbraw/zinc/14/00/67/158140067.db2.gz USRCIZFKXWJAMT-HOCLYGCPSA-N 1 1 319.405 2.532 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000248415524 158174077 /nfs/dbraw/zinc/17/40/77/158174077.db2.gz HZZFGBNYVWQULD-BYCMXARLSA-N 1 1 317.389 2.704 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000248667358 158195842 /nfs/dbraw/zinc/19/58/42/158195842.db2.gz PNCNTHFDDOIYBS-NEPJUHHUSA-N 1 1 309.414 2.652 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000356909749 158322346 /nfs/dbraw/zinc/32/23/46/158322346.db2.gz VYRVGICTQURKAJ-CYBMUJFWSA-N 1 1 321.421 2.717 20 5 DFBDMO C[C@@H](C1CCC1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000357029077 158351986 /nfs/dbraw/zinc/35/19/86/158351986.db2.gz VXTHSBMFBAIYFC-LBPRGKRZSA-N 1 1 305.378 2.678 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000279766884 287152086 /nfs/dbraw/zinc/15/20/86/287152086.db2.gz SHHJDTZAIZSWJY-AWEZNQCLSA-N 1 1 321.421 2.698 20 5 DFBDMO Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000297338379 227027325 /nfs/dbraw/zinc/02/73/25/227027325.db2.gz ASGODLPKLOLYHU-HIFRSBDPSA-N 1 1 313.361 2.551 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000299657999 229306783 /nfs/dbraw/zinc/30/67/83/229306783.db2.gz QCEDDIHPNDBOOZ-CYBMUJFWSA-N 1 1 305.378 2.507 20 5 DFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302023323 230043545 /nfs/dbraw/zinc/04/35/45/230043545.db2.gz GQQZIEOGZMIVRS-HZSPNIEDSA-N 1 1 321.421 2.865 20 5 DFBDMO Cc1[nH+]ccn1Cc1cccc(CNc2ncc([N+](=O)[O-])cn2)c1 ZINC000302143673 230121926 /nfs/dbraw/zinc/12/19/26/230121926.db2.gz GKBCQTCOMQKVSX-UHFFFAOYSA-N 1 1 324.344 2.550 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000302178048 230144209 /nfs/dbraw/zinc/14/42/09/230144209.db2.gz PIDYOVSXXRPNDB-CZUORRHYSA-N 1 1 312.373 2.922 20 5 DFBDMO Cc1sc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000068360038 425917585 /nfs/dbraw/zinc/91/75/85/425917585.db2.gz XTSLKOFGWPESKC-SECBINFHSA-N 1 1 322.390 2.536 20 5 DFBDMO CCC(CC)[N@@H+](CCOC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000102928465 425931638 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2.778 20 5 DFBDMO CC(C)N1CCC([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000263700046 268170804 /nfs/dbraw/zinc/17/08/04/268170804.db2.gz LJGMBFVMDMFMDP-UHFFFAOYSA-N 1 1 321.421 2.778 20 5 DFBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccs1 ZINC000270604105 268190917 /nfs/dbraw/zinc/19/09/17/268190917.db2.gz XPJXTLAHIKCYDH-UHFFFAOYSA-N 1 1 321.402 2.729 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](CCO)Cc1cccnc1 ZINC000272367038 268252213 /nfs/dbraw/zinc/25/22/13/268252213.db2.gz TWRLRCKWGSOESL-AWEZNQCLSA-N 1 1 315.373 2.854 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](CCO)Cc1cccnc1 ZINC000272367038 268252215 /nfs/dbraw/zinc/25/22/15/268252215.db2.gz TWRLRCKWGSOESL-AWEZNQCLSA-N 1 1 315.373 2.854 20 5 DFBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000049963470 425880947 /nfs/dbraw/zinc/88/09/47/425880947.db2.gz LGGBWYJOQYSYCW-NSHDSACASA-N 1 1 309.797 2.822 20 5 DFBDMO CCOC(=O)CC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445116 425881968 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DFBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000125402814 425969524 /nfs/dbraw/zinc/96/95/24/425969524.db2.gz CBDHPNWMRBPTNR-UHFFFAOYSA-N 1 1 301.346 2.891 20 5 DFBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000337372784 268482563 /nfs/dbraw/zinc/48/25/63/268482563.db2.gz PLXIVYVUHRYBDQ-OLZOCXBDSA-N 1 1 320.393 2.979 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2cccn2)CC1 ZINC000109008616 426027128 /nfs/dbraw/zinc/02/71/28/426027128.db2.gz PAMRTVVKVMSJST-UHFFFAOYSA-N 1 1 316.361 2.637 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000162669354 426071542 /nfs/dbraw/zinc/07/15/42/426071542.db2.gz SHMHMWYVNQSVIO-WFASDCNBSA-N 1 1 320.393 2.753 20 5 DFBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000073993167 426036624 /nfs/dbraw/zinc/03/66/24/426036624.db2.gz FYYJCWSISVKCBF-CMPLNLGQSA-N 1 1 323.780 2.557 20 5 DFBDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000111255181 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COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000112701825 426088804 /nfs/dbraw/zinc/08/88/04/426088804.db2.gz ZMOMFJBYCPIYGE-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC1CC1 ZINC000112983268 426100630 /nfs/dbraw/zinc/10/06/30/426100630.db2.gz KICMRXSVRLQSJW-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCCO1 ZINC000128123416 426102628 /nfs/dbraw/zinc/10/26/28/426102628.db2.gz HHLCSGXIBXNTMR-LBPRGKRZSA-N 1 1 316.304 2.807 20 5 DFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCCO1 ZINC000128123416 426102630 /nfs/dbraw/zinc/10/26/30/426102630.db2.gz HHLCSGXIBXNTMR-LBPRGKRZSA-N 1 1 316.304 2.807 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128550967 426122605 /nfs/dbraw/zinc/12/26/05/426122605.db2.gz YOIQWVGMRLTYSA-NVXWUHKLSA-N 1 1 304.390 2.764 20 5 DFBDMO CCCC[N@@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000112333514 426073289 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2.753 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173738697 426247695 /nfs/dbraw/zinc/24/76/95/426247695.db2.gz KBJARGPDLVXHRI-AWEZNQCLSA-N 1 1 319.405 2.898 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3F)C2)nc1 ZINC000118866664 426249564 /nfs/dbraw/zinc/24/95/64/426249564.db2.gz QFVRCKRPKLSVGP-CYBMUJFWSA-N 1 1 316.336 2.815 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000137079720 426249966 /nfs/dbraw/zinc/24/99/66/426249966.db2.gz WJSQZFBOAOHQOI-KRWDZBQOSA-N 1 1 316.332 2.826 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000137079720 426249969 /nfs/dbraw/zinc/24/99/69/426249969.db2.gz WJSQZFBOAOHQOI-KRWDZBQOSA-N 1 1 316.332 2.826 20 5 DFBDMO C[N@H+](CCC(=O)OC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000150873351 426265157 /nfs/dbraw/zinc/26/51/57/426265157.db2.gz RZTBIUDKJXKBDU-UHFFFAOYSA-N 1 1 300.380 2.820 20 5 DFBDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000150873351 426265161 /nfs/dbraw/zinc/26/51/61/426265161.db2.gz RZTBIUDKJXKBDU-UHFFFAOYSA-N 1 1 300.380 2.820 20 5 DFBDMO COc1ccc(CNc2[nH+]c(C)ccc2OC)cc1[N+](=O)[O-] ZINC000150989172 426270883 /nfs/dbraw/zinc/27/08/83/426270883.db2.gz FURSQEAAQOAABS-UHFFFAOYSA-N 1 1 303.318 2.928 20 5 DFBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCOC1 ZINC000089908333 426317857 /nfs/dbraw/zinc/31/78/57/426317857.db2.gz XRQDVXRYQIJCMS-GFCCVEGCSA-N 1 1 317.345 2.718 20 5 DFBDMO CC(C)(C)C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522349 426327214 /nfs/dbraw/zinc/32/72/14/426327214.db2.gz CJBUBMYWXMZSFS-CYBMUJFWSA-N 1 1 307.394 2.657 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153657645 426397882 /nfs/dbraw/zinc/39/78/82/426397882.db2.gz CJKBSZBVNVKULP-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122909015 426402861 /nfs/dbraw/zinc/40/28/61/426402861.db2.gz CPYIKVIHNSSXEN-NEPJUHHUSA-N 1 1 321.377 2.520 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122909015 426402863 /nfs/dbraw/zinc/40/28/63/426402863.db2.gz CPYIKVIHNSSXEN-NEPJUHHUSA-N 1 1 321.377 2.520 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339777303 268888234 /nfs/dbraw/zinc/88/82/34/268888234.db2.gz SQUBCMMOQVGLPA-ZDUSSCGKSA-N 1 1 321.421 2.719 20 5 DFBDMO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000176082370 426350784 /nfs/dbraw/zinc/35/07/84/426350784.db2.gz YXGIOJBTHHXFSJ-CYBMUJFWSA-N 1 1 322.409 2.604 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000092588729 426351531 /nfs/dbraw/zinc/35/15/31/426351531.db2.gz INUFEGRGITXHPH-AWEZNQCLSA-N 1 1 319.405 2.948 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152756939 426352394 /nfs/dbraw/zinc/35/23/94/426352394.db2.gz LOFFZIVYFXCFCG-CMPLNLGQSA-N 1 1 323.780 2.557 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2CCc2ccccc2)n1 ZINC000176212312 426361002 /nfs/dbraw/zinc/36/10/02/426361002.db2.gz HJQIZJQTVKFDFN-INIZCTEOSA-N 1 1 314.389 2.889 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176248343 426363170 /nfs/dbraw/zinc/36/31/70/426363170.db2.gz TYMFRSFQDCHUHU-AWEZNQCLSA-N 1 1 306.366 2.543 20 5 DFBDMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000153380757 426382673 /nfs/dbraw/zinc/38/26/73/426382673.db2.gz RPOJFPCQRHVGLV-LBPRGKRZSA-N 1 1 305.378 2.565 20 5 DFBDMO CCCc1[nH+]ccn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000153518193 426389980 /nfs/dbraw/zinc/38/99/80/426389980.db2.gz KLDPUGIRYCIBIX-UHFFFAOYSA-N 1 1 313.317 2.842 20 5 DFBDMO CCOc1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000123274893 426423353 /nfs/dbraw/zinc/42/33/53/426423353.db2.gz HMPKWJHFVBNHMB-RYUDHWBXSA-N 1 1 321.377 2.805 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(CCC2)C1 ZINC000123416687 426431990 /nfs/dbraw/zinc/43/19/90/426431990.db2.gz SNBFJOXVBKHOHH-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO CCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000154255007 426432124 /nfs/dbraw/zinc/43/21/24/426432124.db2.gz OCSWEYNLDGGIPW-UHFFFAOYSA-N 1 1 300.362 2.976 20 5 DFBDMO CCn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000154255007 426432128 /nfs/dbraw/zinc/43/21/28/426432128.db2.gz OCSWEYNLDGGIPW-UHFFFAOYSA-N 1 1 300.362 2.976 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000176994835 426432709 /nfs/dbraw/zinc/43/27/09/426432709.db2.gz TVPQRPKPTHDIPO-AUECHBEKSA-N 1 1 317.389 2.551 20 5 DFBDMO COCCO[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000340766462 269009543 /nfs/dbraw/zinc/00/95/43/269009543.db2.gz IIAIGTAUNFVLNG-ZIAGYGMSSA-N 1 1 308.378 2.783 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000341268089 269055965 /nfs/dbraw/zinc/05/59/65/269055965.db2.gz LABWBGWNIQUVPH-UHFFFAOYSA-N 1 1 309.272 2.881 20 5 DFBDMO C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123700913 426448621 /nfs/dbraw/zinc/44/86/21/426448621.db2.gz DHDQZZFLJMATSP-JTMKOSTRSA-N 1 1 317.389 2.549 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177417642 426477634 /nfs/dbraw/zinc/47/76/34/426477634.db2.gz NIODNOPTEPHMNQ-CQSZACIVSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177417642 426477636 /nfs/dbraw/zinc/47/76/36/426477636.db2.gz NIODNOPTEPHMNQ-CQSZACIVSA-N 1 1 312.753 2.633 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCO1 ZINC000264181463 426510125 /nfs/dbraw/zinc/51/01/25/426510125.db2.gz KIEIELGTTPXWLL-OAHLLOKOSA-N 1 1 308.378 2.993 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCCO1 ZINC000264181463 426510128 /nfs/dbraw/zinc/51/01/28/426510128.db2.gz KIEIELGTTPXWLL-OAHLLOKOSA-N 1 1 308.378 2.993 20 5 DFBDMO CC[C@H](C)C[N@@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177846405 426530705 /nfs/dbraw/zinc/53/07/05/426530705.db2.gz BQNUQGVNPGUMLY-ZDUSSCGKSA-N 1 1 319.405 2.852 20 5 DFBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000177531605 426493553 /nfs/dbraw/zinc/49/35/53/426493553.db2.gz ARJUMKFWTNGBDW-HIFRSBDPSA-N 1 1 300.362 2.669 20 5 DFBDMO CCC(=O)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000280135194 426504651 /nfs/dbraw/zinc/50/46/51/426504651.db2.gz YKIRATOWBRXKCU-CQSZACIVSA-N 1 1 317.389 2.862 20 5 DFBDMO CCC(=O)c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000280135194 426504656 /nfs/dbraw/zinc/50/46/56/426504656.db2.gz YKIRATOWBRXKCU-CQSZACIVSA-N 1 1 317.389 2.862 20 5 DFBDMO Cc1cc(N2CC[C@@H]([NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272851714 426573711 /nfs/dbraw/zinc/57/37/11/426573711.db2.gz ORGRHKHAJBSJFH-CYBMUJFWSA-N 1 1 300.362 2.592 20 5 DFBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000264646519 426575421 /nfs/dbraw/zinc/57/54/21/426575421.db2.gz OAALRQITLCLKDV-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCC(OC)CC1 ZINC000265265288 426608826 /nfs/dbraw/zinc/60/88/26/426608826.db2.gz ZBOQMVHMUFRJPM-UHFFFAOYSA-N 1 1 308.378 2.993 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186954031 426613280 /nfs/dbraw/zinc/61/32/80/426613280.db2.gz HLPINDJRDCKSOH-UHFFFAOYSA-N 1 1 303.362 2.718 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC2(CC2)C1 ZINC000186954031 426613285 /nfs/dbraw/zinc/61/32/85/426613285.db2.gz HLPINDJRDCKSOH-UHFFFAOYSA-N 1 1 303.362 2.718 20 5 DFBDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273299882 426637236 /nfs/dbraw/zinc/63/72/36/426637236.db2.gz GXSAVUGQIKFPLH-CJNGLKHVSA-N 1 1 322.405 2.845 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234316966 426655471 /nfs/dbraw/zinc/65/54/71/426655471.db2.gz DMJBDISTSKOEPD-MRVPVSSYSA-N 1 1 304.272 2.515 20 5 DFBDMO Cc1ncc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000178575457 426656124 /nfs/dbraw/zinc/65/61/24/426656124.db2.gz PODZUXULAWBJOW-CQSZACIVSA-N 1 1 307.375 2.525 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000178730784 426684841 /nfs/dbraw/zinc/68/48/41/426684841.db2.gz NODJSYIAGILJSF-AWEZNQCLSA-N 1 1 316.361 2.504 20 5 DFBDMO Cc1cnn([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c1 ZINC000290069246 426685053 /nfs/dbraw/zinc/68/50/53/426685053.db2.gz YEENVTQXLMLRKF-ZDUSSCGKSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c1 ZINC000290069246 426685057 /nfs/dbraw/zinc/68/50/57/426685057.db2.gz YEENVTQXLMLRKF-ZDUSSCGKSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1ncsc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178861751 426708613 /nfs/dbraw/zinc/70/86/13/426708613.db2.gz ZKPKIMSRALTKMJ-CYBMUJFWSA-N 1 1 307.375 2.525 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280966668 426697505 /nfs/dbraw/zinc/69/75/05/426697505.db2.gz KFKURFWUSABLIL-QGZVFWFLSA-N 1 1 313.357 2.781 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000274447301 426771833 /nfs/dbraw/zinc/77/18/33/426771833.db2.gz IJNVSKXKLAWOPY-JOZWUWCOSA-N 1 1 317.389 2.597 20 5 DFBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000188809524 426789989 /nfs/dbraw/zinc/78/99/89/426789989.db2.gz LBLHOPLNFFKSNX-OAHLLOKOSA-N 1 1 322.405 2.956 20 5 DFBDMO CN(c1ncc([N+](=O)[O-])s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281888573 426786483 /nfs/dbraw/zinc/78/64/83/426786483.db2.gz LYAONSJXCLXJAA-CYBMUJFWSA-N 1 1 318.402 2.762 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000245437715 426738402 /nfs/dbraw/zinc/73/84/02/426738402.db2.gz RRHSEGWIXXLRGV-WBVHZDCISA-N 1 1 303.406 2.696 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000266565730 426739144 /nfs/dbraw/zinc/73/91/44/426739144.db2.gz ZOHAFPOHJZCLHR-FRFSOERESA-N 1 1 320.389 2.599 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000245437713 426739700 /nfs/dbraw/zinc/73/97/00/426739700.db2.gz RRHSEGWIXXLRGV-RDJZCZTQSA-N 1 1 303.406 2.696 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000245442524 426740020 /nfs/dbraw/zinc/74/00/20/426740020.db2.gz ICFVSANUYBHYRX-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000246158313 426805318 /nfs/dbraw/zinc/80/53/18/426805318.db2.gz NLZKOJYJHFKRMB-LALPHHSUSA-N 1 1 317.389 2.847 20 5 DFBDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267110016 426824666 /nfs/dbraw/zinc/82/46/66/426824666.db2.gz XARPSNJBJABLQN-HOCLYGCPSA-N 1 1 314.389 2.744 20 5 DFBDMO COc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000290800016 426840418 /nfs/dbraw/zinc/84/04/18/426840418.db2.gz POPBYVFNBLHRLU-UWVGGRQHSA-N 1 1 309.341 2.780 20 5 DFBDMO C[C@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@H+]1C1CC1 ZINC000290805235 426843160 /nfs/dbraw/zinc/84/31/60/426843160.db2.gz QIVBIIZTRFCUBG-UWVGGRQHSA-N 1 1 301.350 2.508 20 5 DFBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246677320 426854633 /nfs/dbraw/zinc/85/46/33/426854633.db2.gz BXAYLOORJHANHY-DZGCQCFKSA-N 1 1 322.409 2.539 20 5 DFBDMO Cn1nccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290860501 426856182 /nfs/dbraw/zinc/85/61/82/426856182.db2.gz KKUFYOOSGUZMNM-UHFFFAOYSA-N 1 1 315.160 2.925 20 5 DFBDMO Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274559265 426791290 /nfs/dbraw/zinc/79/12/90/426791290.db2.gz YZXJGCFWVNGJBP-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO CCc1ccc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000266925940 426796216 /nfs/dbraw/zinc/79/62/16/426796216.db2.gz KBPDYZGCSVMDDU-CQSZACIVSA-N 1 1 304.350 2.784 20 5 DFBDMO Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246840717 426869485 /nfs/dbraw/zinc/86/94/85/426869485.db2.gz PZESXISEBGTAFS-GXTWGEPZSA-N 1 1 320.393 2.850 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000275555580 426869988 /nfs/dbraw/zinc/86/99/88/426869988.db2.gz NOTAXVNEDCIXBV-VIFPVBQESA-N 1 1 308.288 2.744 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000275555564 426870537 /nfs/dbraw/zinc/87/05/37/426870537.db2.gz NOTAXVNEDCIXBV-SECBINFHSA-N 1 1 308.288 2.744 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(C)CO ZINC000295240297 426873831 /nfs/dbraw/zinc/87/38/31/426873831.db2.gz PFCPYPFUZHASSO-UHFFFAOYSA-N 1 1 310.394 2.832 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000247060139 426899253 /nfs/dbraw/zinc/89/92/53/426899253.db2.gz XFDSEVWFYSEBRR-NEPJUHHUSA-N 1 1 323.418 2.664 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000247502610 426947828 /nfs/dbraw/zinc/94/78/28/426947828.db2.gz VEVUNVQUZZYRMO-PWSUYJOCSA-N 1 1 323.780 2.557 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOCC(F)F)C2CC2)cc1 ZINC000189791811 426952055 /nfs/dbraw/zinc/95/20/55/426952055.db2.gz IVKVSVCMCYQABQ-UHFFFAOYSA-N 1 1 300.305 2.841 20 5 DFBDMO CCc1nc(C)c(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000291724086 426964949 /nfs/dbraw/zinc/96/49/49/426964949.db2.gz MYQUQZJTFNAUOL-UHFFFAOYSA-N 1 1 305.334 2.752 20 5 DFBDMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000189871035 426968419 /nfs/dbraw/zinc/96/84/19/426968419.db2.gz KTPOILCFWGWFRT-GFCCVEGCSA-N 1 1 306.284 2.648 20 5 DFBDMO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000189871035 426968427 /nfs/dbraw/zinc/96/84/27/426968427.db2.gz KTPOILCFWGWFRT-GFCCVEGCSA-N 1 1 306.284 2.648 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000283247007 426984284 /nfs/dbraw/zinc/98/42/84/426984284.db2.gz VBEGFULHGZDRPL-HIFRSBDPSA-N 1 1 307.369 2.650 20 5 DFBDMO Cc1nc(N(C)CCc2cccc([N+](=O)[O-])c2)c(C)c(C)[nH+]1 ZINC000337828350 426990823 /nfs/dbraw/zinc/99/08/23/426990823.db2.gz USAMBSCZGWTEMO-UHFFFAOYSA-N 1 1 300.362 2.989 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295407027 426944561 /nfs/dbraw/zinc/94/45/61/426944561.db2.gz BTVMATZLXRQFFL-OLZOCXBDSA-N 1 1 321.377 2.818 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295407027 426944566 /nfs/dbraw/zinc/94/45/66/426944566.db2.gz BTVMATZLXRQFFL-OLZOCXBDSA-N 1 1 321.377 2.818 20 5 DFBDMO Cc1[nH+]ccn1CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000276399203 427056818 /nfs/dbraw/zinc/05/68/18/427056818.db2.gz KFEITOYZMGPQMI-UHFFFAOYSA-N 1 1 317.349 2.538 20 5 DFBDMO CCOCCOCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000190264119 427058049 /nfs/dbraw/zinc/05/80/49/427058049.db2.gz GKCISPJTXCVFQF-CQSZACIVSA-N 1 1 310.394 2.949 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000181973704 427003416 /nfs/dbraw/zinc/00/34/16/427003416.db2.gz VZKMOUJLOGWAJE-UHFFFAOYSA-N 1 1 314.385 2.940 20 5 DFBDMO CC[C@@]1(C)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248475183 427004004 /nfs/dbraw/zinc/00/40/04/427004004.db2.gz XNMWKRJEHXQSKM-PBHICJAKSA-N 1 1 322.405 2.847 20 5 DFBDMO C[C@H]1CCCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000248582610 427016083 /nfs/dbraw/zinc/01/60/83/427016083.db2.gz WNJIFRDKFWEDKY-BBRMVZONSA-N 1 1 317.389 2.822 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000283495759 427025913 /nfs/dbraw/zinc/02/59/13/427025913.db2.gz IFBBPXDIJZWIRG-ZDUSSCGKSA-N 1 1 305.378 2.941 20 5 DFBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000248813983 427045081 /nfs/dbraw/zinc/04/50/81/427045081.db2.gz IBNXEIDVYSTUGD-LZWOXQAQSA-N 1 1 318.373 2.677 20 5 DFBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000248813983 427045085 /nfs/dbraw/zinc/04/50/85/427045085.db2.gz IBNXEIDVYSTUGD-LZWOXQAQSA-N 1 1 318.373 2.677 20 5 DFBDMO CC(=O)c1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000283759027 427072045 /nfs/dbraw/zinc/07/20/45/427072045.db2.gz MQCXVMLRWBXGEY-XJKSGUPXSA-N 1 1 317.389 2.718 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1(CO)CCC1 ZINC000292077308 427079370 /nfs/dbraw/zinc/07/93/70/427079370.db2.gz FIMPREINBPTEAK-UHFFFAOYSA-N 1 1 308.378 2.729 20 5 DFBDMO C[C@@H](NCC1([NH+](C)C)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283922124 427098933 /nfs/dbraw/zinc/09/89/33/427098933.db2.gz DSHGBYIGTCMRPS-GFCCVEGCSA-N 1 1 306.410 2.702 20 5 DFBDMO CCN(CC)C(=O)C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182584418 427106798 /nfs/dbraw/zinc/10/67/98/427106798.db2.gz FTZLYLBKKUEVET-CYBMUJFWSA-N 1 1 307.394 2.764 20 5 DFBDMO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182584418 427106802 /nfs/dbraw/zinc/10/68/02/427106802.db2.gz FTZLYLBKKUEVET-CYBMUJFWSA-N 1 1 307.394 2.764 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000296258496 427127861 /nfs/dbraw/zinc/12/78/61/427127861.db2.gz OAYDZCGQQGUZIO-WFASDCNBSA-N 1 1 308.378 2.727 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000296258496 427127866 /nfs/dbraw/zinc/12/78/66/427127866.db2.gz OAYDZCGQQGUZIO-WFASDCNBSA-N 1 1 308.378 2.727 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000268826798 427131381 /nfs/dbraw/zinc/13/13/81/427131381.db2.gz LJMLUYSHMHGGTO-OCCSQVGLSA-N 1 1 305.378 2.524 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000268861700 427136021 /nfs/dbraw/zinc/13/60/21/427136021.db2.gz ROIBZVNMCGVALA-XJKSGUPXSA-N 1 1 319.405 2.662 20 5 DFBDMO COc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268839822 427136306 /nfs/dbraw/zinc/13/63/06/427136306.db2.gz OKMJYQCPCDGNMT-TZMCWYRMSA-N 1 1 305.378 2.524 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000182760039 427140997 /nfs/dbraw/zinc/14/09/97/427140997.db2.gz YSJLLRPIZIOLBW-HIFRSBDPSA-N 1 1 315.377 2.893 20 5 DFBDMO CSC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000292276779 427156730 /nfs/dbraw/zinc/15/67/30/427156730.db2.gz BMJFYUNQHPEADT-LBPRGKRZSA-N 1 1 323.418 2.608 20 5 DFBDMO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000292276779 427156735 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ZINC000331686320 427478712 /nfs/dbraw/zinc/47/87/12/427478712.db2.gz VMZADUXTMCGNKS-VXGBXAGGSA-N 1 1 319.361 2.623 20 5 DFBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC000331712937 427481744 /nfs/dbraw/zinc/48/17/44/427481744.db2.gz GKEIUASEPHTVOB-GFCCVEGCSA-N 1 1 317.389 2.604 20 5 DFBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184229322 427420298 /nfs/dbraw/zinc/42/02/98/427420298.db2.gz BEDRSTYYNJYWNI-LLVKDONJSA-N 1 1 312.341 2.601 20 5 DFBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000184231558 427420615 /nfs/dbraw/zinc/42/06/15/427420615.db2.gz QKDZMYPWCMFCRC-BYIUCRAPSA-N 1 1 317.389 2.551 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278514817 427441503 /nfs/dbraw/zinc/44/15/03/427441503.db2.gz RVULJTSDNAJRBP-UHFFFAOYSA-N 1 1 314.349 2.503 20 5 DFBDMO C[C@@]1(CCCO)CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000271198616 427445746 /nfs/dbraw/zinc/44/57/46/427445746.db2.gz PKSANABZZIIUPS-INIZCTEOSA-N 1 1 308.378 2.601 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286364062 427505489 /nfs/dbraw/zinc/50/54/89/427505489.db2.gz GAIGWLOAPXFIKH-RYUDHWBXSA-N 1 1 318.295 2.588 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286364062 427505499 /nfs/dbraw/zinc/50/54/99/427505499.db2.gz GAIGWLOAPXFIKH-RYUDHWBXSA-N 1 1 318.295 2.588 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286419141 427521632 /nfs/dbraw/zinc/52/16/32/427521632.db2.gz PBWIHBVOTABICX-JTQLQIEISA-N 1 1 321.406 2.743 20 5 DFBDMO COc1ccccc1CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338897157 427545183 /nfs/dbraw/zinc/54/51/83/427545183.db2.gz FMZKLDIIPQJSNN-UHFFFAOYSA-N 1 1 302.330 2.941 20 5 DFBDMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332517241 427617277 /nfs/dbraw/zinc/61/72/77/427617277.db2.gz NFIUDMSHEXTLNW-OAHLLOKOSA-N 1 1 318.421 2.611 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](CCO)C2)c1 ZINC000339005777 427619155 /nfs/dbraw/zinc/61/91/55/427619155.db2.gz YBWIZJRPOFRNKV-JTQLQIEISA-N 1 1 318.295 2.818 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](CCO)C2)c1 ZINC000339005777 427619161 /nfs/dbraw/zinc/61/91/61/427619161.db2.gz YBWIZJRPOFRNKV-JTQLQIEISA-N 1 1 318.295 2.818 20 5 DFBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000339009977 427622181 /nfs/dbraw/zinc/62/21/81/427622181.db2.gz HKCIJVFREIIHLT-ZBFHGGJFSA-N 1 1 308.378 2.936 20 5 DFBDMO CO[C@@]1(C)C[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000339009977 427622185 /nfs/dbraw/zinc/62/21/85/427622185.db2.gz HKCIJVFREIIHLT-ZBFHGGJFSA-N 1 1 308.378 2.936 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+](C)Cc1ccccc1 ZINC000192523403 427557678 /nfs/dbraw/zinc/55/76/78/427557678.db2.gz QXEULHODBCKMOM-UHFFFAOYSA-N 1 1 317.393 2.664 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000192531559 427560867 /nfs/dbraw/zinc/56/08/67/427560867.db2.gz NJKOVDIRERKQFO-AAEUAGOBSA-N 1 1 318.402 2.984 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000192593857 427571199 /nfs/dbraw/zinc/57/11/99/427571199.db2.gz SIVBDFMYNOJLPD-CYBMUJFWSA-N 1 1 309.414 2.796 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000192593867 427571694 /nfs/dbraw/zinc/57/16/94/427571694.db2.gz SIVBDFMYNOJLPD-ZDUSSCGKSA-N 1 1 309.414 2.796 20 5 DFBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192629651 427576292 /nfs/dbraw/zinc/57/62/92/427576292.db2.gz SZQDZKLWCNHLFS-BXUZGUMPSA-N 1 1 305.378 2.704 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000271609819 427579671 /nfs/dbraw/zinc/57/96/71/427579671.db2.gz KDDJAXUTNRIXET-NSHDSACASA-N 1 1 302.334 2.711 20 5 DFBDMO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000271641174 427581905 /nfs/dbraw/zinc/58/19/05/427581905.db2.gz RKLBEIYULRAOKB-MNOVXSKESA-N 1 1 318.333 2.569 20 5 DFBDMO COCCO[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000338951829 427585004 /nfs/dbraw/zinc/58/50/04/427585004.db2.gz CHWQATXZEIJRTK-RRGWEWPQSA-N 1 1 320.389 2.735 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000192705706 427591923 /nfs/dbraw/zinc/59/19/23/427591923.db2.gz JFTUYCJXXQWJML-CQSZACIVSA-N 1 1 323.441 2.900 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000342020829 271933819 /nfs/dbraw/zinc/93/38/19/271933819.db2.gz OIIGRPBCWZGXFW-DZGCQCFKSA-N 1 1 306.362 2.747 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC(O)C1 ZINC000339088078 427670060 /nfs/dbraw/zinc/67/00/60/427670060.db2.gz MPBCWXBSYGTKAF-UHFFFAOYSA-N 1 1 304.268 2.569 20 5 DFBDMO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)cn1 ZINC000287692213 427670703 /nfs/dbraw/zinc/67/07/03/427670703.db2.gz NFECKQKVRUEJTK-SNVBAGLBSA-N 1 1 305.309 2.988 20 5 DFBDMO C[C@@H]1C[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000287683345 427671401 /nfs/dbraw/zinc/67/14/01/427671401.db2.gz COEXLWBXUBPQEI-RKDXNWHRSA-N 1 1 319.390 2.637 20 5 DFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000343267871 272108862 /nfs/dbraw/zinc/10/88/62/272108862.db2.gz HGFUNMXBGVBIEZ-SNVBAGLBSA-N 1 1 315.320 2.727 20 5 DFBDMO CSc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343446410 272149396 /nfs/dbraw/zinc/14/93/96/272149396.db2.gz OQNWRWDSJUVCKU-ZYHUDNBSSA-N 1 1 323.418 2.529 20 5 DFBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185584741 427673533 /nfs/dbraw/zinc/67/35/33/427673533.db2.gz GBTGJAWJKZYNFZ-WFASDCNBSA-N 1 1 305.378 2.678 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000343600024 272179813 /nfs/dbraw/zinc/17/98/13/272179813.db2.gz JCSSKJAUQSGOPK-CQSZACIVSA-N 1 1 305.378 2.507 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000343685276 272200678 /nfs/dbraw/zinc/20/06/78/272200678.db2.gz ZUYZJERXSYONES-ZDUSSCGKSA-N 1 1 305.378 2.507 20 5 DFBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccncc1[N+](=O)[O-] ZINC000343817418 272225041 /nfs/dbraw/zinc/22/50/41/272225041.db2.gz UZRTVHFJTVRWHH-UHFFFAOYSA-N 1 1 304.350 2.541 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344011151 272249342 /nfs/dbraw/zinc/24/93/42/272249342.db2.gz SDMYYEQJEGTKLJ-TZMCWYRMSA-N 1 1 317.389 2.962 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C2CC2)C1 ZINC000344027684 272251320 /nfs/dbraw/zinc/25/13/20/272251320.db2.gz JETBCGKMYAOYJA-AAEUAGOBSA-N 1 1 303.362 2.654 20 5 DFBDMO CN(C(=O)C[N@@H+](C)C[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000344056601 272253457 /nfs/dbraw/zinc/25/34/57/272253457.db2.gz JUZZFAXECKQMGM-AWEZNQCLSA-N 1 1 317.389 2.846 20 5 DFBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000344082722 272259648 /nfs/dbraw/zinc/25/96/48/272259648.db2.gz RXEYWOMGZLDGFU-UKRRQHHQSA-N 1 1 322.405 2.703 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344127817 272269712 /nfs/dbraw/zinc/26/97/12/272269712.db2.gz WSNXNRHNJYLOMI-CQSZACIVSA-N 1 1 317.389 2.964 20 5 DFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@H]1c1cccnc1 ZINC000344244734 272295586 /nfs/dbraw/zinc/29/55/86/272295586.db2.gz KYCXTYFWOKHQRQ-IRXDYDNUSA-N 1 1 313.357 2.952 20 5 DFBDMO CC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000344278497 272302782 /nfs/dbraw/zinc/30/27/82/272302782.db2.gz URWXLOJVBZGOIW-INWMFGNUSA-N 1 1 319.405 2.892 20 5 DFBDMO CC[NH+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000344415759 272328036 /nfs/dbraw/zinc/32/80/36/272328036.db2.gz DQCPWHIUTRWQJK-NXEZZACHSA-N 1 1 311.407 2.519 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344593285 272343231 /nfs/dbraw/zinc/34/32/31/272343231.db2.gz DATAYMCUQVFFQW-OAHLLOKOSA-N 1 1 319.405 2.753 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCC[C@H]1O ZINC000339189383 427722566 /nfs/dbraw/zinc/72/25/66/427722566.db2.gz QQXFZGBRQMJIFE-QWHCGFSZSA-N 1 1 318.295 2.959 20 5 DFBDMO CCOc1cc(N2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000339356293 427759443 /nfs/dbraw/zinc/75/94/43/427759443.db2.gz DGWCQDPDYHSOBY-LBPRGKRZSA-N 1 1 316.361 2.721 20 5 DFBDMO C[C@@H](c1ccccn1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299201452 427760700 /nfs/dbraw/zinc/76/07/00/427760700.db2.gz WCEOFTNXSHJMEW-AWEZNQCLSA-N 1 1 312.373 2.873 20 5 DFBDMO Cc1cc(NCC2([NH+](C)C)CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000336874360 427769573 /nfs/dbraw/zinc/76/95/73/427769573.db2.gz YUZRSWUNWYICBO-UHFFFAOYSA-N 1 1 314.389 2.770 20 5 DFBDMO Cc1ccnc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301289515 427786532 /nfs/dbraw/zinc/78/65/32/427786532.db2.gz NCSCUAOLESZQEI-STQMWFEESA-N 1 1 322.409 2.598 20 5 DFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301333856 427789605 /nfs/dbraw/zinc/78/96/05/427789605.db2.gz FNQAIIZRYUNBNY-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000339208640 427731594 /nfs/dbraw/zinc/73/15/94/427731594.db2.gz CKBFOQDETHSZRR-ZDUSSCGKSA-N 1 1 319.405 2.607 20 5 DFBDMO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000339208640 427731599 /nfs/dbraw/zinc/73/15/99/427731599.db2.gz CKBFOQDETHSZRR-ZDUSSCGKSA-N 1 1 319.405 2.607 20 5 DFBDMO C[C@@H]1C[N@H+](CCCCNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301545183 427804664 /nfs/dbraw/zinc/80/46/64/427804664.db2.gz DQPKXVMXSKIZIM-OKILXGFUSA-N 1 1 307.394 2.896 20 5 DFBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301621488 427810010 /nfs/dbraw/zinc/81/00/10/427810010.db2.gz XXLKCDLXNASMIP-LBPRGKRZSA-N 1 1 322.365 2.893 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339780412 427828562 /nfs/dbraw/zinc/82/85/62/427828562.db2.gz ZOWWMUZGGYESHS-HNNXBMFYSA-N 1 1 320.389 2.865 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339780412 427828564 /nfs/dbraw/zinc/82/85/64/427828564.db2.gz ZOWWMUZGGYESHS-HNNXBMFYSA-N 1 1 320.389 2.865 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000339820052 427838340 /nfs/dbraw/zinc/83/83/40/427838340.db2.gz CDMXYOJDBJQRSA-INIZCTEOSA-N 1 1 308.378 2.721 20 5 DFBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ncccc1[N+](=O)[O-] ZINC000302032705 427849566 /nfs/dbraw/zinc/84/95/66/427849566.db2.gz SRVULWREUKBETO-CYBMUJFWSA-N 1 1 300.362 2.922 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000359437171 427851545 /nfs/dbraw/zinc/85/15/45/427851545.db2.gz JKZVANHPBLZCLV-NEPJUHHUSA-N 1 1 309.414 2.794 20 5 DFBDMO CCC[N@H+]1CCCN(c2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000302222563 427851794 /nfs/dbraw/zinc/85/17/94/427851794.db2.gz MYWNOQZMZFWMEX-UHFFFAOYSA-N 1 1 307.394 2.916 20 5 DFBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000355730862 427866888 /nfs/dbraw/zinc/86/68/88/427866888.db2.gz HKFLOLANDTVBLR-LXTVHRRPSA-N 1 1 322.405 2.701 20 5 DFBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccon1 ZINC000349831327 427875039 /nfs/dbraw/zinc/87/50/39/427875039.db2.gz KJPDKYZKHGYDEB-GHMZBOCLSA-N 1 1 318.333 2.651 20 5 DFBDMO CCc1ccc([C@H]([NH2+]CCCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346498177 272647982 /nfs/dbraw/zinc/64/79/82/272647982.db2.gz XHHHBXLMCYYHHX-MRXNPFEDSA-N 1 1 304.346 2.812 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000349969507 427911243 /nfs/dbraw/zinc/91/12/43/427911243.db2.gz IHDLBJNYMYPWIF-MRXNPFEDSA-N 1 1 313.357 2.952 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000349969496 427911441 /nfs/dbraw/zinc/91/14/41/427911441.db2.gz IHDLBJNYMYPWIF-INIZCTEOSA-N 1 1 313.357 2.952 20 5 DFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304094729 427918229 /nfs/dbraw/zinc/91/82/29/427918229.db2.gz DOTGTMDRTYLLAO-DZGCQCFKSA-N 1 1 308.378 2.729 20 5 DFBDMO COCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000340660531 427918924 /nfs/dbraw/zinc/91/89/24/427918924.db2.gz UGPBUHUJNARZCD-UHFFFAOYSA-N 1 1 317.345 2.861 20 5 DFBDMO COCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000340660531 427918929 /nfs/dbraw/zinc/91/89/29/427918929.db2.gz UGPBUHUJNARZCD-UHFFFAOYSA-N 1 1 317.345 2.861 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000340883351 427943509 /nfs/dbraw/zinc/94/35/09/427943509.db2.gz VPWVSTPNBYVBHG-MRXNPFEDSA-N 1 1 305.378 2.574 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340204625 427953935 /nfs/dbraw/zinc/95/39/35/427953935.db2.gz VKTKRITWLYZNMF-STQMWFEESA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340204625 427953939 /nfs/dbraw/zinc/95/39/39/427953939.db2.gz VKTKRITWLYZNMF-STQMWFEESA-N 1 1 318.295 2.873 20 5 DFBDMO C[N@@H+](CCCCNc1c2c(ccc1[N+](=O)[O-])NCC2)C1CC1 ZINC000413345813 428028628 /nfs/dbraw/zinc/02/86/28/428028628.db2.gz GMRSUXHMIZAYJJ-UHFFFAOYSA-N 1 1 304.394 2.849 20 5 DFBDMO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+]1C ZINC000413269999 428006944 /nfs/dbraw/zinc/00/69/44/428006944.db2.gz VAENXICRWOCIMN-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO CC(C)(C)C1=CC[N@H+](CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000413282743 428009410 /nfs/dbraw/zinc/00/94/10/428009410.db2.gz RDVHUNWZKXBXFL-UHFFFAOYSA-N 1 1 310.423 3.141 20 5 DFBDMO CC(C)(C)C1=CC[N@@H+](CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000413282743 428009415 /nfs/dbraw/zinc/00/94/15/428009415.db2.gz RDVHUNWZKXBXFL-UHFFFAOYSA-N 1 1 310.423 3.141 20 5 DFBDMO O=[N+]([O-])c1ccc(CCN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000369600769 428013896 /nfs/dbraw/zinc/01/38/96/428013896.db2.gz VKKVGRFUAWAURZ-NJAFHUGGSA-N 1 1 315.417 2.553 20 5 DFBDMO O=[N+]([O-])c1ccc(CCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000369600769 428013902 /nfs/dbraw/zinc/01/39/02/428013902.db2.gz VKKVGRFUAWAURZ-NJAFHUGGSA-N 1 1 315.417 2.553 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)ccc1Cl ZINC000369830648 428070007 /nfs/dbraw/zinc/07/00/07/428070007.db2.gz HLHFPHSXSKWEKR-NSHDSACASA-N 1 1 306.753 2.618 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)ccc1Cl ZINC000369830647 428071997 /nfs/dbraw/zinc/07/19/97/428071997.db2.gz HLHFPHSXSKWEKR-LLVKDONJSA-N 1 1 306.753 2.618 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369873620 428079073 /nfs/dbraw/zinc/07/90/73/428079073.db2.gz MIXCDTMNKFCFBO-WBVHZDCISA-N 1 1 320.389 2.755 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000369873620 428079078 /nfs/dbraw/zinc/07/90/78/428079078.db2.gz MIXCDTMNKFCFBO-WBVHZDCISA-N 1 1 320.389 2.755 20 5 DFBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000377212270 428085820 /nfs/dbraw/zinc/08/58/20/428085820.db2.gz AATOSRRGFVRCOW-GUYCJALGSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000377212270 428085824 /nfs/dbraw/zinc/08/58/24/428085824.db2.gz AATOSRRGFVRCOW-GUYCJALGSA-N 1 1 320.389 2.673 20 5 DFBDMO COc1cccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975236 428101288 /nfs/dbraw/zinc/10/12/88/428101288.db2.gz RSWJLTWSTRGQOF-AWEZNQCLSA-N 1 1 316.361 2.637 20 5 DFBDMO Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000377360594 428114157 /nfs/dbraw/zinc/11/41/57/428114157.db2.gz SDWICICQANSFJG-HUUCEWRRSA-N 1 1 317.389 2.602 20 5 DFBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)c(Cl)c1 ZINC000341592760 428119938 /nfs/dbraw/zinc/11/99/38/428119938.db2.gz XXDPTNMKXMSKMO-QMMMGPOBSA-N 1 1 312.732 2.972 20 5 DFBDMO C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000352356637 428131845 /nfs/dbraw/zinc/13/18/45/428131845.db2.gz MWSUNEVTVGBGNJ-DGCLKSJQSA-N 1 1 312.373 3.180 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000352544653 428143957 /nfs/dbraw/zinc/14/39/57/428143957.db2.gz CBXBZNMOEZECSX-KRWDZBQOSA-N 1 1 320.389 2.996 20 5 DFBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1 ZINC000352571669 428154496 /nfs/dbraw/zinc/15/44/96/428154496.db2.gz XPQWAZOVMVXHGM-UHFFFAOYSA-N 1 1 313.357 2.708 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1 ZINC000352571669 428154501 /nfs/dbraw/zinc/15/45/01/428154501.db2.gz XPQWAZOVMVXHGM-UHFFFAOYSA-N 1 1 313.357 2.708 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000352609535 428169255 /nfs/dbraw/zinc/16/92/55/428169255.db2.gz UMRRLZFSNJYSQP-OCCSQVGLSA-N 1 1 308.353 2.982 20 5 DFBDMO C[C@@H]1C[C@@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000352620681 428174151 /nfs/dbraw/zinc/17/41/51/428174151.db2.gz HAKRZJJAFYRCLP-OLZOCXBDSA-N 1 1 306.362 2.604 20 5 DFBDMO CCc1ccc([C@H]([NH2+]C[C@@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346453788 428179851 /nfs/dbraw/zinc/17/98/51/428179851.db2.gz YMHLYKRERWYUTH-BDJLRTHQSA-N 1 1 304.346 2.810 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000346461510 428181810 /nfs/dbraw/zinc/18/18/10/428181810.db2.gz SILCGZLOCWFUNG-CHWSQXEVSA-N 1 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/nfs/dbraw/zinc/81/53/44/428815344.db2.gz JMFPSGZTURCFNP-OAHLLOKOSA-N 1 1 318.421 2.775 20 5 DFBDMO C[C@H]1[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000375243033 428829205 /nfs/dbraw/zinc/82/92/05/428829205.db2.gz SXLRQORRBXUEMM-CJNGLKHVSA-N 1 1 320.389 2.519 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375279975 428841046 /nfs/dbraw/zinc/84/10/46/428841046.db2.gz IARPXOUKNWRLKY-MRXNPFEDSA-N 1 1 306.362 2.606 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000363098060 428856970 /nfs/dbraw/zinc/85/69/70/428856970.db2.gz ZISSDKYSPZQVOT-VXGBXAGGSA-N 1 1 323.780 2.605 20 5 DFBDMO COc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000363108598 428857999 /nfs/dbraw/zinc/85/79/99/428857999.db2.gz UINWNWFQEDTUSQ-VXGBXAGGSA-N 1 1 321.377 2.651 20 5 DFBDMO Cc1c([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000363153526 428870984 /nfs/dbraw/zinc/87/09/84/428870984.db2.gz SMSRQLBQXCWOSI-MRXNPFEDSA-N 1 1 300.362 2.974 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O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000363211092 428883282 /nfs/dbraw/zinc/88/32/82/428883282.db2.gz BVSDHOKADMXAEG-ZIAGYGMSSA-N 1 1 312.373 3.182 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000348950873 428885543 /nfs/dbraw/zinc/88/55/43/428885543.db2.gz RDDUWUXXAUUHOT-HNNXBMFYSA-N 1 1 320.389 2.865 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411949978 428892939 /nfs/dbraw/zinc/89/29/39/428892939.db2.gz QUSLOAACLHYSQB-ROUUACIJSA-N 1 1 312.369 2.945 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1F ZINC000375474975 428894238 /nfs/dbraw/zinc/89/42/38/428894238.db2.gz TYEPWNIWHJGFRG-LBPRGKRZSA-N 1 1 304.325 2.837 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363310957 428905213 /nfs/dbraw/zinc/90/52/13/428905213.db2.gz PGWJTSYGQKCOCO-MRXNPFEDSA-N 1 1 319.405 2.664 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H]1C ZINC000354226172 428926092 /nfs/dbraw/zinc/92/60/92/428926092.db2.gz VCMQEDSYLOEKDB-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412064077 428935299 /nfs/dbraw/zinc/93/52/99/428935299.db2.gz BPTZIMKCEZDVKM-KBPBESRZSA-N 1 1 322.405 2.975 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433325243 429024938 /nfs/dbraw/zinc/02/49/38/429024938.db2.gz HWMNNSPXCQUVOH-GFCCVEGCSA-N 1 1 320.780 2.971 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433325243 429024944 /nfs/dbraw/zinc/02/49/44/429024944.db2.gz HWMNNSPXCQUVOH-GFCCVEGCSA-N 1 1 320.780 2.971 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421759110 429027383 /nfs/dbraw/zinc/02/73/83/429027383.db2.gz BTCFUXKDFGPSAX-CYBMUJFWSA-N 1 1 307.394 2.672 20 5 DFBDMO Cc1[nH+]ccn1-c1cccc(NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000363720736 428976643 /nfs/dbraw/zinc/97/66/43/428976643.db2.gz IHEMOKALUDYZQH-UHFFFAOYSA-N 1 1 323.356 3.139 20 5 DFBDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349576347 429006977 /nfs/dbraw/zinc/00/69/77/429006977.db2.gz FANXUFWFSOCXDX-INIZCTEOSA-N 1 1 301.346 2.976 20 5 DFBDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349576347 429006981 /nfs/dbraw/zinc/00/69/81/429006981.db2.gz FANXUFWFSOCXDX-INIZCTEOSA-N 1 1 301.346 2.976 20 5 DFBDMO C[C@H]1CCC(C)(C)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452001919 429036272 /nfs/dbraw/zinc/03/62/72/429036272.db2.gz GGAAKMFUXYDCGB-GXTWGEPZSA-N 1 1 308.378 2.597 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452065238 429047041 /nfs/dbraw/zinc/04/70/41/429047041.db2.gz HLPMGWBPODPPGO-IUODEOHRSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452065238 429047045 /nfs/dbraw/zinc/04/70/45/429047045.db2.gz HLPMGWBPODPPGO-IUODEOHRSA-N 1 1 308.378 2.585 20 5 DFBDMO Nc1c(F)c(NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433788207 429051216 /nfs/dbraw/zinc/05/12/16/429051216.db2.gz CNDFOYDBUFIYJM-NSHDSACASA-N 1 1 308.357 2.745 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423278338 429056298 /nfs/dbraw/zinc/05/62/98/429056298.db2.gz QQXHXCIAIKFOAM-YUTCNCBUSA-N 1 1 307.394 2.772 20 5 DFBDMO CC(C)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000363945748 429145372 /nfs/dbraw/zinc/14/53/72/429145372.db2.gz AWJXFKODYQMFOV-UHFFFAOYSA-N 1 1 323.368 2.538 20 5 DFBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413139012 429147655 /nfs/dbraw/zinc/14/76/55/429147655.db2.gz QINAXPKOPNPKDB-UHFFFAOYSA-N 1 1 318.299 2.541 20 5 DFBDMO Cc1nc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000435585336 429150891 /nfs/dbraw/zinc/15/08/91/429150891.db2.gz SUXFGJZNLVAZOA-HNNXBMFYSA-N 1 1 318.421 3.507 20 5 DFBDMO C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452576027 429128851 /nfs/dbraw/zinc/12/88/51/429128851.db2.gz SSWXGUSVUOMSDI-XQQFMLRXSA-N 1 1 305.378 2.645 20 5 DFBDMO C[C@H]1C[N@@H+](C)C[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487154769 429135633 /nfs/dbraw/zinc/13/56/33/429135633.db2.gz HYAJRJDXPSSBAJ-ZANVPECISA-N 1 1 317.311 2.653 20 5 DFBDMO Cc1nc(N2CCC[N@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000363893076 429137091 /nfs/dbraw/zinc/13/70/91/429137091.db2.gz XYRZHFQEVCKGPC-UHFFFAOYSA-N 1 1 304.394 2.753 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000376578636 429140849 /nfs/dbraw/zinc/14/08/49/429140849.db2.gz CHEUZZJNKWIWBQ-UKRRQHHQSA-N 1 1 317.389 2.602 20 5 DFBDMO CC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364089030 429168970 /nfs/dbraw/zinc/16/89/70/429168970.db2.gz PAWLHIGMOQPOPW-ZIAGYGMSSA-N 1 1 303.362 2.836 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301751705 275033590 /nfs/dbraw/zinc/03/35/90/275033590.db2.gz VDASOEWGWFYYJP-DRZSPHRISA-N 1 1 322.796 2.564 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(N2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000301361761 275033704 /nfs/dbraw/zinc/03/37/04/275033704.db2.gz OJIIFGHJZRBCPG-UHFFFAOYSA-N 1 1 311.332 2.938 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000133890748 275035189 /nfs/dbraw/zinc/03/51/89/275035189.db2.gz VIGQBESRBMDWMY-GOSISDBHSA-N 1 1 312.369 2.729 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000175105250 275036666 /nfs/dbraw/zinc/03/66/66/275036666.db2.gz CMKRYRKGLYDAGW-LLVKDONJSA-N 1 1 315.295 2.898 20 5 DFBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCCC[C@@H]4C3)ccc2c1 ZINC000264832881 275038967 /nfs/dbraw/zinc/03/89/67/275038967.db2.gz IEXWSMVVSKCQQT-OAHLLOKOSA-N 1 1 312.373 2.818 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000185300682 275042049 /nfs/dbraw/zinc/04/20/49/275042049.db2.gz QZVWWQZUSJRYLR-NSHDSACASA-N 1 1 322.315 2.559 20 5 DFBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000495054389 429176364 /nfs/dbraw/zinc/17/63/64/429176364.db2.gz UDTOYXASWNGGHR-ARJAWSKDSA-N 1 1 324.384 2.825 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000364321097 429181072 /nfs/dbraw/zinc/18/10/72/429181072.db2.gz BEGPMMWXVNEBDH-MRXNPFEDSA-N 1 1 320.389 2.521 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1 ZINC000488720200 429190836 /nfs/dbraw/zinc/19/08/36/429190836.db2.gz OXPDMLTVWFXQNV-GFCCVEGCSA-N 1 1 318.421 2.917 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC2(CCC[N@H+]2C)CC1 ZINC000364635459 429239342 /nfs/dbraw/zinc/23/93/42/429239342.db2.gz MGSCPBIKNVUIJF-UHFFFAOYSA-N 1 1 319.405 2.806 20 5 DFBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC1(C)C ZINC000489479138 429246796 /nfs/dbraw/zinc/24/67/96/429246796.db2.gz KWTGTMGFVRIXOH-LBPRGKRZSA-N 1 1 311.769 2.917 20 5 DFBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC1(C)C ZINC000489479138 429246801 /nfs/dbraw/zinc/24/68/01/429246801.db2.gz KWTGTMGFVRIXOH-LBPRGKRZSA-N 1 1 311.769 2.917 20 5 DFBDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000364673784 429248016 /nfs/dbraw/zinc/24/80/16/429248016.db2.gz QBBSCLUBEPOSJP-OAHLLOKOSA-N 1 1 314.389 2.794 20 5 DFBDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000364682171 429250005 /nfs/dbraw/zinc/25/00/05/429250005.db2.gz NOOAZAUHVFALMM-SJKOYZFVSA-N 1 1 317.389 2.706 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)[C@@H]2C1 ZINC000425276336 429255918 /nfs/dbraw/zinc/25/59/18/429255918.db2.gz BKNODERMYWDNLZ-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000425291198 429259025 /nfs/dbraw/zinc/25/90/25/429259025.db2.gz ZBFITMJWGFLOOB-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000456339302 429278814 /nfs/dbraw/zinc/27/88/14/429278814.db2.gz CSHYFGOEVJSYLE-LLVKDONJSA-N 1 1 311.407 2.521 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000456339302 429278817 /nfs/dbraw/zinc/27/88/17/429278817.db2.gz CSHYFGOEVJSYLE-LLVKDONJSA-N 1 1 311.407 2.521 20 5 DFBDMO CC(C)N1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449069526 429323748 /nfs/dbraw/zinc/32/37/48/429323748.db2.gz XQRUOVWSOVGNFV-CQSZACIVSA-N 1 1 305.422 2.988 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000365545969 429338300 /nfs/dbraw/zinc/33/83/00/429338300.db2.gz LIVBBJGHASUHBA-SNVBAGLBSA-N 1 1 322.315 2.991 20 5 DFBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)C(C)C ZINC000446051075 429297197 /nfs/dbraw/zinc/29/71/97/429297197.db2.gz HNAMJTVRHYRQJN-UHFFFAOYSA-N 1 1 313.785 2.627 20 5 DFBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)C(C)(F)F ZINC000449411366 429408903 /nfs/dbraw/zinc/40/89/03/429408903.db2.gz AVDZJNKRHHKIPK-NXEZZACHSA-N 1 1 315.320 2.945 20 5 DFBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])nc1)CCC(F)(F)F ZINC000491609963 429378497 /nfs/dbraw/zinc/37/84/97/429378497.db2.gz MMNQNSJLZDLDGV-UHFFFAOYSA-N 1 1 306.288 2.676 20 5 DFBDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365852583 429388824 /nfs/dbraw/zinc/38/88/24/429388824.db2.gz AGYJNASOZVPPTD-GOEBONIOSA-N 1 1 314.389 2.978 20 5 DFBDMO CC[N@@H+]1CC[C@@H](N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000518989612 429442956 /nfs/dbraw/zinc/44/29/56/429442956.db2.gz VXYORLNLPZLMLZ-YPMHNXCESA-N 1 1 317.311 2.882 20 5 DFBDMO CC[N@H+]1CC[C@@H](N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000518989612 429442957 /nfs/dbraw/zinc/44/29/57/429442957.db2.gz VXYORLNLPZLMLZ-YPMHNXCESA-N 1 1 317.311 2.882 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366265941 429444933 /nfs/dbraw/zinc/44/49/33/429444933.db2.gz HEVNHIGJCWQMJP-DLBZAZTESA-N 1 1 320.389 2.755 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366265941 429444935 /nfs/dbraw/zinc/44/49/35/429444935.db2.gz HEVNHIGJCWQMJP-DLBZAZTESA-N 1 1 320.389 2.755 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000366440534 429453298 /nfs/dbraw/zinc/45/32/98/429453298.db2.gz CJXJTHWVWRCBOU-HNNXBMFYSA-N 1 1 309.797 2.776 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449422802 429414080 /nfs/dbraw/zinc/41/40/80/429414080.db2.gz FQPXTIMYGRDNME-INIZCTEOSA-N 1 1 312.373 2.980 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000366079159 429414840 /nfs/dbraw/zinc/41/48/40/429414840.db2.gz TXVKKYZYXQVAPJ-LLVKDONJSA-N 1 1 304.325 2.851 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000426782952 429416121 /nfs/dbraw/zinc/41/61/21/429416121.db2.gz IDPOJZUVMNIHCA-JTQLQIEISA-N 1 1 313.785 2.707 20 5 DFBDMO Cc1cccc(C(=O)NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000457194613 429424167 /nfs/dbraw/zinc/42/41/67/429424167.db2.gz FVFRSFOZOIHDLP-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO CCOc1cc(CO[C@H](C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000491929392 429435878 /nfs/dbraw/zinc/43/58/78/429435878.db2.gz HBEBKLSCOZEEGG-LLVKDONJSA-N 1 1 305.334 2.864 20 5 DFBDMO CC(C)NC(=O)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000519821808 429491710 /nfs/dbraw/zinc/49/17/10/429491710.db2.gz JDTKRYWJNUTUKL-UHFFFAOYSA-N 1 1 322.409 2.513 20 5 DFBDMO CC(C)([NH2+]Cc1cccc(C(N)=O)c1)c1ccccc1[N+](=O)[O-] ZINC000492278174 429501084 /nfs/dbraw/zinc/50/10/84/429501084.db2.gz VPFSGDVVRIYPQC-UHFFFAOYSA-N 1 1 313.357 2.719 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000520224566 429505410 /nfs/dbraw/zinc/50/54/10/429505410.db2.gz MPFBUEICACOEJN-GJZGRUSLSA-N 1 1 320.389 2.865 20 5 DFBDMO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000449783810 429511077 /nfs/dbraw/zinc/51/10/77/429511077.db2.gz RVEFMQUMCGVUHY-ZCGHOXCVSA-N 1 1 302.374 2.965 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000367025652 429561050 /nfs/dbraw/zinc/56/10/50/429561050.db2.gz CPVSBDAYOJWTEM-ZDUSSCGKSA-N 1 1 314.345 2.845 20 5 DFBDMO CCOc1cc(CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492585532 429572147 /nfs/dbraw/zinc/57/21/47/429572147.db2.gz XMILZEGIIMVNJX-UONOGXRCSA-N 1 1 321.421 2.908 20 5 DFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429030758 429573548 /nfs/dbraw/zinc/57/35/48/429573548.db2.gz SPOVLGZNLIDALD-CPUCHLNUSA-N 1 1 303.406 2.757 20 5 DFBDMO C[C@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000429558346 429617250 /nfs/dbraw/zinc/61/72/50/429617250.db2.gz FCJMJAJFVHZQMV-JSGCOSHPSA-N 1 1 317.389 2.604 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@](CC)(CO)C2)ccc1[N+](=O)[O-] ZINC000492816843 429623498 /nfs/dbraw/zinc/62/34/98/429623498.db2.gz JBHOLJWDNRZLNO-KRWDZBQOSA-N 1 1 322.405 2.978 20 5 DFBDMO C[N@@H+](CCOc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000429719683 429629504 /nfs/dbraw/zinc/62/95/04/429629504.db2.gz UPWQXOOANMXDSK-UHFFFAOYSA-N 1 1 302.330 2.811 20 5 DFBDMO CC(C)[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000450477497 429637587 /nfs/dbraw/zinc/63/75/87/429637587.db2.gz BIBMMIKKWFTSFE-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO CC(C)[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000450478223 429638357 /nfs/dbraw/zinc/63/83/57/429638357.db2.gz DYMUUTPZGYXCQL-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450334531 429602293 /nfs/dbraw/zinc/60/22/93/429602293.db2.gz SRPDEZUGMUEREC-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H]1C(C)C ZINC000429388777 429605742 /nfs/dbraw/zinc/60/57/42/429605742.db2.gz WNAVXFMJHDFJOS-HOCLYGCPSA-N 1 1 320.389 2.923 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000450353353 429606651 /nfs/dbraw/zinc/60/66/51/429606651.db2.gz YOAKRWUWQMATKV-VXGBXAGGSA-N 1 1 317.393 2.780 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1F ZINC000367267746 429608925 /nfs/dbraw/zinc/60/89/25/429608925.db2.gz SHVGAVMSTDGQCT-CYBMUJFWSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1F ZINC000367267746 429608930 /nfs/dbraw/zinc/60/89/30/429608930.db2.gz SHVGAVMSTDGQCT-CYBMUJFWSA-N 1 1 304.325 2.768 20 5 DFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430196757 429660962 /nfs/dbraw/zinc/66/09/62/429660962.db2.gz SGYGHYSBBIRURU-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000430219530 429664504 /nfs/dbraw/zinc/66/45/04/429664504.db2.gz OBSZWKMKZIFIKV-LRDDRELGSA-N 1 1 308.378 2.586 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267054938 276170105 /nfs/dbraw/zinc/17/01/05/276170105.db2.gz OPJDHFOXBWQNRE-CQSZACIVSA-N 1 1 305.378 2.718 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000359083712 276225783 /nfs/dbraw/zinc/22/57/83/276225783.db2.gz PJBKMDFTIQFPJZ-KBPBESRZSA-N 1 1 306.410 2.916 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493366114 429746734 /nfs/dbraw/zinc/74/67/34/429746734.db2.gz RQIWZZGAKOTPGI-AWEZNQCLSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493366114 429746738 /nfs/dbraw/zinc/74/67/38/429746738.db2.gz RQIWZZGAKOTPGI-AWEZNQCLSA-N 1 1 312.753 2.633 20 5 DFBDMO COc1cc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000451094093 429768699 /nfs/dbraw/zinc/76/86/99/429768699.db2.gz PGQOQHKRURHHMH-CYBMUJFWSA-N 1 1 319.405 2.520 20 5 DFBDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451144707 429775352 /nfs/dbraw/zinc/77/53/52/429775352.db2.gz JFNZICLKYJQKDS-HBNTYKKESA-N 1 1 320.315 2.843 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000451649802 429868724 /nfs/dbraw/zinc/86/87/24/429868724.db2.gz SXSLQJALVSGEAJ-HNNXBMFYSA-N 1 1 308.403 2.801 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451521112 429840680 /nfs/dbraw/zinc/84/06/80/429840680.db2.gz CUJCBMNEWWJQNO-XJKSGUPXSA-N 1 1 308.378 2.721 20 5 DFBDMO CCO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000451524944 429841255 /nfs/dbraw/zinc/84/12/55/429841255.db2.gz FMDRXMARRVIBKY-IAQYHMDHSA-N 1 1 318.377 2.718 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000451524944 429841258 /nfs/dbraw/zinc/84/12/58/429841258.db2.gz FMDRXMARRVIBKY-IAQYHMDHSA-N 1 1 318.377 2.718 20 5 DFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cnns3)C2)cc1 ZINC000451549608 429851183 /nfs/dbraw/zinc/85/11/83/429851183.db2.gz PRHZRSGDHUFGPU-GFCCVEGCSA-N 1 1 304.375 2.826 20 5 DFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cnns3)C2)cc1 ZINC000451549608 429851185 /nfs/dbraw/zinc/85/11/85/429851185.db2.gz PRHZRSGDHUFGPU-GFCCVEGCSA-N 1 1 304.375 2.826 20 5 DFBDMO CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548820 429851536 /nfs/dbraw/zinc/85/15/36/429851536.db2.gz ONILWLAERARHPV-HIFRSBDPSA-N 1 1 306.362 2.726 20 5 DFBDMO CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548820 429851540 /nfs/dbraw/zinc/85/15/40/429851540.db2.gz ONILWLAERARHPV-HIFRSBDPSA-N 1 1 306.362 2.726 20 5 DFBDMO CCC(=O)c1ccc(N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368448614 429851612 /nfs/dbraw/zinc/85/16/12/429851612.db2.gz CJPQIKWQXQDEFN-WBMJQRKESA-N 1 1 317.389 2.718 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000451569850 429855987 /nfs/dbraw/zinc/85/59/87/429855987.db2.gz OTTZWVLHCXQDBZ-DOMZBBRYSA-N 1 1 308.378 2.850 20 5 DFBDMO O=[N+]([O-])c1cccc2c(N3CC[N@H+]4CCCC[C@@H]4C3)ccnc21 ZINC000432310941 429813292 /nfs/dbraw/zinc/81/32/92/429813292.db2.gz KAJHBGNVWNSDTB-CYBMUJFWSA-N 1 1 312.373 2.818 20 5 DFBDMO CCC(=O)c1ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000368621482 429878720 /nfs/dbraw/zinc/87/87/20/429878720.db2.gz DBGPEMVZEDPAHZ-NSHDSACASA-N 1 1 314.345 2.880 20 5 DFBDMO CCC(=O)c1ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000368621482 429878721 /nfs/dbraw/zinc/87/87/21/429878721.db2.gz DBGPEMVZEDPAHZ-NSHDSACASA-N 1 1 314.345 2.880 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ccsc2)CC1 ZINC000368881757 429899831 /nfs/dbraw/zinc/89/98/31/429899831.db2.gz HQRMOXGQOGEIBO-UHFFFAOYSA-N 1 1 306.391 2.769 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC23CCCCC3)c1 ZINC000368898012 429900816 /nfs/dbraw/zinc/90/08/16/429900816.db2.gz VTAISXBBCRJXLW-OAHLLOKOSA-N 1 1 320.389 2.743 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368914736 429902050 /nfs/dbraw/zinc/90/20/50/429902050.db2.gz LEQXGHOXEYZURA-UHFFFAOYSA-N 1 1 314.345 2.577 20 5 DFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000369019572 429907886 /nfs/dbraw/zinc/90/78/86/429907886.db2.gz QNHPIGOQAGVNOB-HNNXBMFYSA-N 1 1 300.362 2.671 20 5 DFBDMO COc1cc(C[N@H+]2CCSC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000451658505 429869836 /nfs/dbraw/zinc/86/98/36/429869836.db2.gz XUYSWPQTHNNNSE-CQSZACIVSA-N 1 1 308.403 2.931 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451694310 429873287 /nfs/dbraw/zinc/87/32/87/429873287.db2.gz BCXBGUQXILHUKV-RBSFLKMASA-N 1 1 320.389 2.586 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451700507 429875341 /nfs/dbraw/zinc/87/53/41/429875341.db2.gz GKSNHXVZEOLACM-KBMXLJTQSA-N 1 1 304.390 2.886 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000558492638 429974474 /nfs/dbraw/zinc/97/44/74/429974474.db2.gz DNBILEOQOFFCQZ-YRBHFNIASA-N 1 1 312.373 2.868 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574146701 430014704 /nfs/dbraw/zinc/01/47/04/430014704.db2.gz FKQHKTUFMBGDQQ-XJKSGUPXSA-N 1 1 319.405 2.689 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374913738 277066084 /nfs/dbraw/zinc/06/60/84/277066084.db2.gz OEQOVFFGSPCLLQ-HZPDHXFCSA-N 1 1 307.369 2.793 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000371017358 277066108 /nfs/dbraw/zinc/06/61/08/277066108.db2.gz IOBJURXZGDRKCG-CHWSQXEVSA-N 1 1 310.785 2.706 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000154087311 277070460 /nfs/dbraw/zinc/07/04/60/277070460.db2.gz OCLSNUSODFWJQX-PWSUYJOCSA-N 1 1 310.785 2.564 20 5 DFBDMO C[N@H+]1CCC[C@@]2(CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000292881157 277072510 /nfs/dbraw/zinc/07/25/10/277072510.db2.gz UTHXZVXRHMTNON-OAHLLOKOSA-N 1 1 311.332 2.795 20 5 DFBDMO COC(=O)[C@]1(C)C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000282761223 277145700 /nfs/dbraw/zinc/14/57/00/277145700.db2.gz OGKKYYYVNOPDRR-BFQNTYOBSA-N 1 1 306.362 2.787 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000364314192 277146733 /nfs/dbraw/zinc/14/67/33/277146733.db2.gz ZHVDEEGIPSIUMS-WBMJQRKESA-N 1 1 312.373 2.673 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331968765 277371213 /nfs/dbraw/zinc/37/12/13/277371213.db2.gz MQOHLIYZLKUNFE-XPKDYRNWSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331968765 277371214 /nfs/dbraw/zinc/37/12/14/277371214.db2.gz MQOHLIYZLKUNFE-XPKDYRNWSA-N 1 1 318.373 2.901 20 5 DFBDMO C[C@H]1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C[N@H+]1C1CC1 ZINC000581485438 430214315 /nfs/dbraw/zinc/21/43/15/430214315.db2.gz VEHIYDMKQTWPPC-AAEUAGOBSA-N 1 1 316.405 2.906 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000544438889 430282706 /nfs/dbraw/zinc/28/27/06/430282706.db2.gz GUIQYSHAVIZARD-HOTGVXAUSA-N 1 1 322.405 2.703 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1ccccc1C ZINC000568465778 430360856 /nfs/dbraw/zinc/36/08/56/430360856.db2.gz SISFFXDWURHTMJ-INIZCTEOSA-N 1 1 316.357 2.735 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000584050753 430455100 /nfs/dbraw/zinc/45/51/00/430455100.db2.gz MKOMCEJIBAIJDW-IUODEOHRSA-N 1 1 306.362 2.691 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000584050753 430455103 /nfs/dbraw/zinc/45/51/03/430455103.db2.gz MKOMCEJIBAIJDW-IUODEOHRSA-N 1 1 306.362 2.691 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000357938554 279381472 /nfs/dbraw/zinc/38/14/72/279381472.db2.gz RTCUERWIEHDTBW-QWHCGFSZSA-N 1 1 322.409 2.684 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375328450 281022698 /nfs/dbraw/zinc/02/26/98/281022698.db2.gz NXQOYASVNMPMAQ-JSGCOSHPSA-N 1 1 301.350 2.503 20 5 DFBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000106789819 281195168 /nfs/dbraw/zinc/19/51/68/281195168.db2.gz ROLJFWPRYPZGJY-ZDUSSCGKSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000364099493 281231118 /nfs/dbraw/zinc/23/11/18/281231118.db2.gz VCQPVKOTPPOLMY-KKUMJFAQSA-N 1 1 301.390 2.824 20 5 DFBDMO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332016211 281243566 /nfs/dbraw/zinc/24/35/66/281243566.db2.gz ROCQQSCZGDMDDA-AWEZNQCLSA-N 1 1 300.362 2.665 20 5 DFBDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000332016211 281243567 /nfs/dbraw/zinc/24/35/67/281243567.db2.gz ROCQQSCZGDMDDA-AWEZNQCLSA-N 1 1 300.362 2.665 20 5 DFBDMO COc1cccc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000292290699 295305523 /nfs/dbraw/zinc/30/55/23/295305523.db2.gz MYWSZKJZOYWYEA-ZDUSSCGKSA-N 1 1 319.405 2.914 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000441192541 297174981 /nfs/dbraw/zinc/17/49/81/297174981.db2.gz DTVQXKKJYNEYOW-HUUCEWRRSA-N 1 1 320.389 2.722 20 5 DFBDMO CC[C@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000441498846 297185076 /nfs/dbraw/zinc/18/50/76/297185076.db2.gz GSQDRILYZBKCTR-CABCVRRESA-N 1 1 321.421 2.698 20 5 DFBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000443346841 297220158 /nfs/dbraw/zinc/22/01/58/297220158.db2.gz WUDFDCDERDHHCU-CPUCHLNUSA-N 1 1 322.405 2.845 20 5 DFBDMO CO[C@H](C)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444650530 297243453 /nfs/dbraw/zinc/24/34/53/297243453.db2.gz OZRNKMSKQUHIDG-LLVKDONJSA-N 1 1 306.366 2.716 20 5 DFBDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000444750197 297248466 /nfs/dbraw/zinc/24/84/66/297248466.db2.gz YZSFRYGZVGJPBN-HOCLYGCPSA-N 1 1 322.405 2.703 20 5 DFBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000447834005 297319518 /nfs/dbraw/zinc/31/95/18/297319518.db2.gz VLNZJVGFWKYOAO-GDBMZVCRSA-N 1 1 322.405 2.989 20 5 DFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)cc1Cl ZINC000449480272 297476601 /nfs/dbraw/zinc/47/66/01/297476601.db2.gz NXZLIHDGNIQGNA-JTQLQIEISA-N 1 1 308.769 2.703 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000454350484 298159900 /nfs/dbraw/zinc/15/99/00/298159900.db2.gz CMVOWLIURBDHDF-GFCCVEGCSA-N 1 1 324.356 2.680 20 5 DFBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC1CCCCC1 ZINC000511097428 300248508 /nfs/dbraw/zinc/24/85/08/300248508.db2.gz VCPGUADZMQDXKO-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC1CCCCC1 ZINC000511097428 300248510 /nfs/dbraw/zinc/24/85/10/300248510.db2.gz VCPGUADZMQDXKO-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000530475852 301050468 /nfs/dbraw/zinc/05/04/68/301050468.db2.gz DKIOVTCZUQPPJY-CQSZACIVSA-N 1 1 315.377 2.718 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000530475852 301050470 /nfs/dbraw/zinc/05/04/70/301050470.db2.gz DKIOVTCZUQPPJY-CQSZACIVSA-N 1 1 315.377 2.718 20 5 DFBDMO O=[N+]([O-])c1ccccc1N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531656702 301102746 /nfs/dbraw/zinc/10/27/46/301102746.db2.gz NINUZJPAKDBYPW-ZFWWWQNUSA-N 1 1 305.378 2.650 20 5 DFBDMO Cc1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000532167313 301134538 /nfs/dbraw/zinc/13/45/38/301134538.db2.gz FWQZXBXAASBSQO-ZBFHGGJFSA-N 1 1 319.405 2.959 20 5 DFBDMO NC(=O)c1ccc(CNc2cccc3cc[nH+]cc32)c([N+](=O)[O-])c1 ZINC000532287212 301142982 /nfs/dbraw/zinc/14/29/82/301142982.db2.gz SXPBJMBZJYHILF-UHFFFAOYSA-N 1 1 322.324 2.854 20 5 DFBDMO COC(C)(C)C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533020204 301181915 /nfs/dbraw/zinc/18/19/15/301181915.db2.gz RQJXMCNZAUKVCX-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO COC(C)(C)C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533020204 301181917 /nfs/dbraw/zinc/18/19/17/301181917.db2.gz RQJXMCNZAUKVCX-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000408171912 301203548 /nfs/dbraw/zinc/20/35/48/301203548.db2.gz PIQZJNUGQXFYMD-ZIAGYGMSSA-N 1 1 304.394 2.527 20 5 DFBDMO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536877897 301291987 /nfs/dbraw/zinc/29/19/87/301291987.db2.gz PGQXOEWTXSDOJS-BLLLJJGKSA-N 1 1 316.357 2.988 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000540903918 301373658 /nfs/dbraw/zinc/37/36/58/301373658.db2.gz JSMKRSLGEQBLEY-MLGOLLRUSA-N 1 1 312.373 2.673 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564727153 302153954 /nfs/dbraw/zinc/15/39/54/302153954.db2.gz VUMKISSYXIHFFX-OAHLLOKOSA-N 1 1 313.357 2.858 20 5 DFBDMO C[N@@H+]1CCO[C@H](CSCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000566215238 302267854 /nfs/dbraw/zinc/26/78/54/302267854.db2.gz ZQCJRTQYPJKLOX-LBPRGKRZSA-N 1 1 316.810 2.812 20 5 DFBDMO C[N@H+]1CCO[C@H](CSCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000566215238 302267856 /nfs/dbraw/zinc/26/78/56/302267856.db2.gz ZQCJRTQYPJKLOX-LBPRGKRZSA-N 1 1 316.810 2.812 20 5 DFBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000566287132 302274425 /nfs/dbraw/zinc/27/44/25/302274425.db2.gz XJEIWQGVHKWEMP-LBPRGKRZSA-N 1 1 320.393 2.840 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000566908603 302321390 /nfs/dbraw/zinc/32/13/90/302321390.db2.gz YSQSKLUICVZTGZ-AWEZNQCLSA-N 1 1 319.405 2.672 20 5 DFBDMO Cc1nc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000450260732 317076892 /nfs/dbraw/zinc/07/68/92/317076892.db2.gz DWDDDGIFSWKYQF-SCRDCRAPSA-N 1 1 319.409 2.535 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488074907 317364678 /nfs/dbraw/zinc/36/46/78/317364678.db2.gz JVQWRBPTBPNFCZ-IUODEOHRSA-N 1 1 314.389 2.706 20 5 DFBDMO CCOc1cc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000575427736 318077282 /nfs/dbraw/zinc/07/72/82/318077282.db2.gz ZUZNKSNLBZJIFS-LSDHHAIUSA-N 1 1 319.405 2.662 20 5 DFBDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576143155 318106824 /nfs/dbraw/zinc/10/68/24/318106824.db2.gz NRJUSNVIMPZKLW-WBMJQRKESA-N 1 1 316.405 2.548 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000576939824 318160765 /nfs/dbraw/zinc/16/07/65/318160765.db2.gz MGUBGEGJJXWIAY-QRTARXTBSA-N 1 1 320.389 2.599 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578844005 318288640 /nfs/dbraw/zinc/28/86/40/318288640.db2.gz GJPBUHLEQZICMV-WCQYABFASA-N 1 1 315.377 2.534 20 5 DFBDMO Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000382452640 323299481 /nfs/dbraw/zinc/29/94/81/323299481.db2.gz GQXHFGLSQLAHCY-RYUDHWBXSA-N 1 1 300.362 2.555 20 5 DFBDMO CC[N@H+]1CC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000389250992 323334289 /nfs/dbraw/zinc/33/42/89/323334289.db2.gz GLDLJDPHFPPRRV-MRVPVSSYSA-N 1 1 304.272 2.515 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCSC[C@H]2C2CC2)c1 ZINC000580404027 323380024 /nfs/dbraw/zinc/38/00/24/323380024.db2.gz GAENJCUARUAPPT-HNNXBMFYSA-N 1 1 308.403 2.801 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000365190537 520698719 /nfs/dbraw/zinc/69/87/19/520698719.db2.gz OXIURBNITMWUHW-LSDHHAIUSA-N 1 1 320.389 2.852 20 5 DFBDMO COC(=O)c1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338359621 521998723 /nfs/dbraw/zinc/99/87/23/521998723.db2.gz RDXZOSGISKLFKH-UHFFFAOYSA-N 1 1 318.329 2.649 20 5 DFBDMO COC(=O)[C@@H](C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000355319290 536437741 /nfs/dbraw/zinc/43/77/41/536437741.db2.gz TXIKVVDJEQNLAJ-VGVVRCBHSA-N 1 1 318.373 2.882 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292782275 527218024 /nfs/dbraw/zinc/21/80/24/527218024.db2.gz LVKMSIZDRITMOC-KRWDZBQOSA-N 1 1 317.389 2.720 20 5 DFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000365167188 527374080 /nfs/dbraw/zinc/37/40/80/527374080.db2.gz CIQMIMOZIQTULD-CYBMUJFWSA-N 1 1 318.377 2.733 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365655526 527458216 /nfs/dbraw/zinc/45/82/16/527458216.db2.gz AYBLSDSKJBWKRW-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293015822 527853376 /nfs/dbraw/zinc/85/33/76/527853376.db2.gz KVDVMTSUCBVUMF-MRXNPFEDSA-N 1 1 308.378 2.721 20 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2.659 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000015105863 398392831 /nfs/dbraw/zinc/39/28/31/398392831.db2.gz PYAUOHNPSZWZJF-UHFFFAOYSA-N 1 1 317.414 2.974 20 5 DFBDMO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000592186977 398398609 /nfs/dbraw/zinc/39/86/09/398398609.db2.gz LEEZPKBAWSNPHQ-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000592186977 398398614 /nfs/dbraw/zinc/39/86/14/398398614.db2.gz LEEZPKBAWSNPHQ-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO CCc1nc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n[nH]1 ZINC000294996337 529740775 /nfs/dbraw/zinc/74/07/75/529740775.db2.gz REIMDZTZRMJASH-UHFFFAOYSA-N 1 1 312.333 2.744 20 5 DFBDMO CC[C@@H]([NH2+]Cc1cn2cccnc2n1)c1cccc([N+](=O)[O-])c1 ZINC000181550773 199315283 /nfs/dbraw/zinc/31/52/83/199315283.db2.gz BMHUPXOJLZSWCV-OAHLLOKOSA-N 1 1 311.345 2.878 20 5 DFBDMO CC(C)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000181555144 199316521 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DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)CC1(C)C ZINC000331006197 232326011 /nfs/dbraw/zinc/32/60/11/232326011.db2.gz PWQDRIRAHSQCAI-LLVKDONJSA-N 1 1 305.378 2.962 20 5 DFBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596821334 398507229 /nfs/dbraw/zinc/50/72/29/398507229.db2.gz SREIRKWQYJMULF-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000181976094 199370327 /nfs/dbraw/zinc/37/03/27/199370327.db2.gz JSBRSPUPWSPXGU-UHFFFAOYSA-N 1 1 300.358 2.898 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(C2CC2)nc1 ZINC000459545619 299130855 /nfs/dbraw/zinc/13/08/55/299130855.db2.gz QGGWYJYOYWELNI-UHFFFAOYSA-N 1 1 312.373 2.937 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](CC(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000031582059 398518867 /nfs/dbraw/zinc/51/88/67/398518867.db2.gz IOUWPIIBXOMYCI-UHFFFAOYSA-N 1 1 323.393 2.908 20 5 DFBDMO C[N@H+]1CCC[C@H]1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593030045 398525615 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DFBDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000593058780 398533452 /nfs/dbraw/zinc/53/34/52/398533452.db2.gz OKHPAGSNOFGLRY-KGLIPLIRSA-N 1 1 308.378 2.863 20 5 DFBDMO CCOC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000589197611 398536058 /nfs/dbraw/zinc/53/60/58/398536058.db2.gz MUDQAYJLCPZOHU-UHFFFAOYSA-N 1 1 304.302 2.654 20 5 DFBDMO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593093871 398543799 /nfs/dbraw/zinc/54/37/99/398543799.db2.gz VWRSSZZCJIUMCU-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593093871 398543802 /nfs/dbraw/zinc/54/38/02/398543802.db2.gz VWRSSZZCJIUMCU-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000320474407 398547676 /nfs/dbraw/zinc/54/76/76/398547676.db2.gz AMNVHVFQBVUOKS-LLVKDONJSA-N 1 1 303.366 2.679 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])cc1F ZINC000593117966 398550813 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DFBDMO Cc1cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000043084795 398612034 /nfs/dbraw/zinc/61/20/34/398612034.db2.gz WNBIVZKEOPZBAK-UONOGXRCSA-N 1 1 319.405 2.896 20 5 DFBDMO CC[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000590442668 398622565 /nfs/dbraw/zinc/62/25/65/398622565.db2.gz QUSQNYXAOWYHIL-WFASDCNBSA-N 1 1 305.378 2.504 20 5 DFBDMO CCOC[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000459705948 299168554 /nfs/dbraw/zinc/16/85/54/299168554.db2.gz IGOJHNSMAATHHI-HNNXBMFYSA-N 1 1 308.378 2.865 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593463168 398635505 /nfs/dbraw/zinc/63/55/05/398635505.db2.gz OGHYCUHUWJKYLB-LBPRGKRZSA-N 1 1 300.362 2.897 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H]1C ZINC000177878317 186197555 /nfs/dbraw/zinc/19/75/55/186197555.db2.gz BTRAYRCSMWLPJK-TUAOUCFPSA-N 1 1 321.377 2.661 20 5 DFBDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459712428 299169823 /nfs/dbraw/zinc/16/98/23/299169823.db2.gz MWHJUQFBJDOUKC-ZDUSSCGKSA-N 1 1 318.377 2.862 20 5 DFBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459712428 299169825 /nfs/dbraw/zinc/16/98/25/299169825.db2.gz MWHJUQFBJDOUKC-ZDUSSCGKSA-N 1 1 318.377 2.862 20 5 DFBDMO CC1([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183869703 186225724 /nfs/dbraw/zinc/22/57/24/186225724.db2.gz ZLBPZHXXHAYJDJ-LBPRGKRZSA-N 1 1 312.391 2.631 20 5 DFBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC1CCCC1 ZINC000266852916 186360146 /nfs/dbraw/zinc/36/01/46/186360146.db2.gz JICKMQMAXKKNNB-RYUDHWBXSA-N 1 1 305.378 2.693 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000044715108 398653257 /nfs/dbraw/zinc/65/32/57/398653257.db2.gz KLRAAYLQCNQLQS-MRXNPFEDSA-N 1 1 322.405 2.847 20 5 DFBDMO CCc1noc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000590757346 398667874 /nfs/dbraw/zinc/66/78/74/398667874.db2.gz KXCODXCGGUZKFL-CYBMUJFWSA-N 1 1 316.361 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CCOC(=O)CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000594051007 398732314 /nfs/dbraw/zinc/73/23/14/398732314.db2.gz JXCIGPPNXMAKAJ-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)CCc2ccccc2)cc1 ZINC000112698448 398735984 /nfs/dbraw/zinc/73/59/84/398735984.db2.gz ZAPTYDDDKQSQLU-UHFFFAOYSA-N 1 1 314.385 2.674 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282812 398745599 /nfs/dbraw/zinc/74/55/99/398745599.db2.gz SPCBJXVMDVNRPB-OMVNSRBRSA-N 1 1 301.390 2.872 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000047416140 398748932 /nfs/dbraw/zinc/74/89/32/398748932.db2.gz GDZJXNPCMBQARH-OKILXGFUSA-N 1 1 319.405 2.693 20 5 DFBDMO COc1ccc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000080963717 192206032 /nfs/dbraw/zinc/20/60/32/192206032.db2.gz DJEQPBUHNGTTGL-UHFFFAOYSA-N 1 1 316.357 2.984 20 5 DFBDMO CCOC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081519825 192278986 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DFBDMO C[C@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000594615357 398833763 /nfs/dbraw/zinc/83/37/63/398833763.db2.gz NIDAFHPQCFAQBN-VIFPVBQESA-N 1 1 316.304 2.541 20 5 DFBDMO C[C@H](O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000594615357 398833766 /nfs/dbraw/zinc/83/37/66/398833766.db2.gz NIDAFHPQCFAQBN-VIFPVBQESA-N 1 1 316.304 2.541 20 5 DFBDMO CCOc1cncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000598635653 398844957 /nfs/dbraw/zinc/84/49/57/398844957.db2.gz YETXBPOMAYFZBW-UHFFFAOYSA-N 1 1 317.345 2.687 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598647518 398847400 /nfs/dbraw/zinc/84/74/00/398847400.db2.gz NGAWINSLWHWSQK-CQSZACIVSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1c(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000076331500 398851882 /nfs/dbraw/zinc/85/18/82/398851882.db2.gz XWHAFGNETJGNON-ZDUSSCGKSA-N 1 1 318.377 2.605 20 5 DFBDMO C[C@H]1CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[N@H+]1C ZINC000598697449 398857296 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COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000595016033 398892862 /nfs/dbraw/zinc/89/28/62/398892862.db2.gz GJOPCVDYHNBTKJ-OCCSQVGLSA-N 1 1 319.405 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000595016033 398892865 /nfs/dbraw/zinc/89/28/65/398892865.db2.gz GJOPCVDYHNBTKJ-OCCSQVGLSA-N 1 1 319.405 2.738 20 5 DFBDMO CCOc1cc(NCC[N@@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000174914184 283395353 /nfs/dbraw/zinc/39/53/53/283395353.db2.gz ALUWDAOGSKPDFK-UHFFFAOYSA-N 1 1 323.393 2.516 20 5 DFBDMO CCOc1cc(NCC[N@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000174914184 283395356 /nfs/dbraw/zinc/39/53/56/283395356.db2.gz ALUWDAOGSKPDFK-UHFFFAOYSA-N 1 1 323.393 2.516 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000595024982 398893791 /nfs/dbraw/zinc/89/37/91/398893791.db2.gz IQRHGFWLABZZBJ-AVGNSLFASA-N 1 1 307.394 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000595024982 398893793 /nfs/dbraw/zinc/89/37/93/398893793.db2.gz IQRHGFWLABZZBJ-AVGNSLFASA-N 1 1 307.394 2.737 20 5 DFBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000141178761 398893877 /nfs/dbraw/zinc/89/38/77/398893877.db2.gz ZGLWFJOJNTWELS-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1CCc2n[nH]cc2C1 ZINC000598940095 398894759 /nfs/dbraw/zinc/89/47/59/398894759.db2.gz LYDGTYZCUNBFSQ-GFCCVEGCSA-N 1 1 300.362 2.697 20 5 DFBDMO CC[N@@H+]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000595030735 398894880 /nfs/dbraw/zinc/89/48/80/398894880.db2.gz VDQWNEGAPKINIA-HUBLWGQQSA-N 1 1 307.394 2.594 20 5 DFBDMO CCN1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000595030735 398894883 /nfs/dbraw/zinc/89/48/83/398894883.db2.gz VDQWNEGAPKINIA-HUBLWGQQSA-N 1 1 307.394 2.594 20 5 DFBDMO CC(C)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000077357167 398900171 /nfs/dbraw/zinc/90/01/71/398900171.db2.gz BWCSIDOHRFEGLF-UHFFFAOYSA-N 1 1 317.389 2.747 20 5 DFBDMO CCn1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000595067764 398901028 /nfs/dbraw/zinc/90/10/28/398901028.db2.gz IDNDFPIKALBAPO-INIZCTEOSA-N 1 1 315.377 2.764 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000470156198 299292636 /nfs/dbraw/zinc/29/26/36/299292636.db2.gz KVEAYSYEYFJNGM-VELOCXKFSA-N 1 1 318.373 2.882 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)(CO)CC1 ZINC000186926876 200032144 /nfs/dbraw/zinc/03/21/44/200032144.db2.gz PUSPQBOCCQEFQE-UHFFFAOYSA-N 1 1 322.405 2.976 20 5 DFBDMO CCC[N@H+]1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095312 398904680 /nfs/dbraw/zinc/90/46/80/398904680.db2.gz IHYYQJDEVKUTKH-QWHCGFSZSA-N 1 1 307.394 2.738 20 5 DFBDMO CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095312 398904682 /nfs/dbraw/zinc/90/46/82/398904682.db2.gz IHYYQJDEVKUTKH-QWHCGFSZSA-N 1 1 307.394 2.738 20 5 DFBDMO COC(=O)[C@@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470179529 299293510 /nfs/dbraw/zinc/29/35/10/299293510.db2.gz YLGYZPZEZFVJOX-UZGISAJGSA-N 1 1 318.373 2.883 20 5 DFBDMO COC(=O)[C@H](C)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174036 299293231 /nfs/dbraw/zinc/29/32/31/299293231.db2.gz HMFCAQYDDAHWHN-LLBKUYECSA-N 1 1 306.362 2.739 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000470204607 299293240 /nfs/dbraw/zinc/29/32/40/299293240.db2.gz AMYSNKNCUXGEPC-OQXPVOPUSA-N 1 1 302.374 2.701 20 5 DFBDMO COCC[N@@H+](C)CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599022637 398909152 /nfs/dbraw/zinc/90/91/52/398909152.db2.gz SVSSDZNDKYJHMR-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187553153 200127196 /nfs/dbraw/zinc/12/71/96/200127196.db2.gz VKHPFTCGKAHSFP-MRXNPFEDSA-N 1 1 308.378 2.588 20 5 DFBDMO C[N@@H+]1CCCC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072045 398917119 /nfs/dbraw/zinc/91/71/19/398917119.db2.gz XAVNHBAFGGSLOE-CJNGLKHVSA-N 1 1 303.406 2.904 20 5 DFBDMO C[N@H+]1CCCC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072045 398917121 /nfs/dbraw/zinc/91/71/21/398917121.db2.gz XAVNHBAFGGSLOE-CJNGLKHVSA-N 1 1 303.406 2.904 20 5 DFBDMO Cc1noc(C[NH+]2CCC(OC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595297047 398918630 /nfs/dbraw/zinc/91/86/30/398918630.db2.gz AQOUMZCACGDYSZ-UHFFFAOYSA-N 1 1 309.366 2.815 20 5 DFBDMO COc1ccc([C@@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1 ZINC000595308002 398920233 /nfs/dbraw/zinc/92/02/33/398920233.db2.gz YRBHZQXAMSBPOW-CYBMUJFWSA-N 1 1 317.345 2.889 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC000595307091 398920499 /nfs/dbraw/zinc/92/04/99/398920499.db2.gz UVPVAAPRHCXAQZ-GFCCVEGCSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC000595307091 398920500 /nfs/dbraw/zinc/92/05/00/398920500.db2.gz UVPVAAPRHCXAQZ-GFCCVEGCSA-N 1 1 320.324 2.805 20 5 DFBDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344375 398924905 /nfs/dbraw/zinc/92/49/05/398924905.db2.gz CZDQPIGFZWPWKR-CHWSQXEVSA-N 1 1 309.366 2.671 20 5 DFBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344375 398924909 /nfs/dbraw/zinc/92/49/09/398924909.db2.gz CZDQPIGFZWPWKR-CHWSQXEVSA-N 1 1 309.366 2.671 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000595352207 398925706 /nfs/dbraw/zinc/92/57/06/398925706.db2.gz JZYQKSSXNOQGDT-OAHLLOKOSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000595352207 398925707 /nfs/dbraw/zinc/92/57/07/398925707.db2.gz JZYQKSSXNOQGDT-OAHLLOKOSA-N 1 1 317.320 2.782 20 5 DFBDMO CC(=O)c1ccc(NC[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599141027 398927728 /nfs/dbraw/zinc/92/77/28/398927728.db2.gz YHWIIVYSLKPXFU-CYBMUJFWSA-N 1 1 305.378 2.941 20 5 DFBDMO C[N@H+]1CCCC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000599140890 398927470 /nfs/dbraw/zinc/92/74/70/398927470.db2.gz JEJPDTVCXJVJNB-CYBMUJFWSA-N 1 1 314.389 2.709 20 5 DFBDMO Cc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055402042 398929145 /nfs/dbraw/zinc/92/91/45/398929145.db2.gz CZDSNEGVPKHFMA-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471804148 299306730 /nfs/dbraw/zinc/30/67/30/299306730.db2.gz KZBKJPUANHQXTM-HZMBPMFUSA-N 1 1 319.386 2.673 20 5 DFBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471804148 299306732 /nfs/dbraw/zinc/30/67/32/299306732.db2.gz KZBKJPUANHQXTM-HZMBPMFUSA-N 1 1 319.386 2.673 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000078022577 398934669 /nfs/dbraw/zinc/93/46/69/398934669.db2.gz FPJHZBNLPXWFGG-KRWDZBQOSA-N 1 1 314.389 2.919 20 5 DFBDMO CC(=O)c1[nH]c(CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nc1C ZINC000595420417 398934689 /nfs/dbraw/zinc/93/46/89/398934689.db2.gz DXEAETURHBSTQM-JTQLQIEISA-N 1 1 316.361 2.722 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595424408 398935324 /nfs/dbraw/zinc/93/53/24/398935324.db2.gz MGPDXGFENVAMGR-UKRRQHHQSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595424408 398935328 /nfs/dbraw/zinc/93/53/28/398935328.db2.gz MGPDXGFENVAMGR-UKRRQHHQSA-N 1 1 310.369 2.963 20 5 DFBDMO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595485194 398948642 /nfs/dbraw/zinc/94/86/42/398948642.db2.gz SHESQDLDNVPZJT-CHWSQXEVSA-N 1 1 311.382 2.965 20 5 DFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595504409 398952114 /nfs/dbraw/zinc/95/21/14/398952114.db2.gz ITPHQCVBGKDHJZ-MRXNPFEDSA-N 1 1 307.369 2.652 20 5 DFBDMO Cc1c(CN2CCC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508862 398953245 /nfs/dbraw/zinc/95/32/45/398953245.db2.gz YXSZCEOZANESKC-QGZVFWFLSA-N 1 1 303.406 2.821 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078456148 398957439 /nfs/dbraw/zinc/95/74/39/398957439.db2.gz QRXRLAKNRIWOMX-GFCCVEGCSA-N 1 1 322.365 2.814 20 5 DFBDMO CCOc1cc(C[N@@H+](C2CC2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000595533115 398958076 /nfs/dbraw/zinc/95/80/76/398958076.db2.gz GQOJSOMOWYARMD-UHFFFAOYSA-N 1 1 320.389 2.873 20 5 DFBDMO CC[N@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000595536101 398959082 /nfs/dbraw/zinc/95/90/82/398959082.db2.gz VHJCBRXBQSOMCK-CYBMUJFWSA-N 1 1 307.394 2.520 20 5 DFBDMO Cc1noc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)c1[N+](=O)[O-] ZINC000595539287 398960563 /nfs/dbraw/zinc/96/05/63/398960563.db2.gz DPIKCPCOUUSBQQ-NEPJUHHUSA-N 1 1 311.382 2.963 20 5 DFBDMO CSCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281501968 216345254 /nfs/dbraw/zinc/34/52/54/216345254.db2.gz UKQGVBRIJFTSCI-NSHDSACASA-N 1 1 311.407 2.607 20 5 DFBDMO CCCC[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000474791586 299338736 /nfs/dbraw/zinc/33/87/36/299338736.db2.gz SJRGJFSJUKUDGE-UHFFFAOYSA-N 1 1 323.393 2.834 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600207619 399005777 /nfs/dbraw/zinc/00/57/77/399005777.db2.gz MKVSYXDCVLFMLS-XSCGPJKBSA-N 1 1 320.414 2.593 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600207619 399005781 /nfs/dbraw/zinc/00/57/81/399005781.db2.gz MKVSYXDCVLFMLS-XSCGPJKBSA-N 1 1 320.414 2.593 20 5 DFBDMO COC[C@]1(C)C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600217277 399009620 /nfs/dbraw/zinc/00/96/20/399009620.db2.gz HAXWBNCUKNNVTL-DZXKJOIRSA-N 1 1 320.389 2.735 20 5 DFBDMO COC[C@]1(C)C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600217277 399009623 /nfs/dbraw/zinc/00/96/23/399009623.db2.gz HAXWBNCUKNNVTL-DZXKJOIRSA-N 1 1 320.389 2.735 20 5 DFBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000595671441 399027798 /nfs/dbraw/zinc/02/77/98/399027798.db2.gz GLUFFCLRIKTOOP-GXTWGEPZSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595671380 399028028 /nfs/dbraw/zinc/02/80/28/399028028.db2.gz FEAJWQSVLNHMTI-YOEHRIQHSA-N 1 1 322.405 2.847 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595670589 399028040 /nfs/dbraw/zinc/02/80/40/399028040.db2.gz FILGNGDCVINWQT-DOMZBBRYSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@H]1COC2(CCC2)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000595674055 399029033 /nfs/dbraw/zinc/02/90/33/399029033.db2.gz HXHVQMBZQWHRSH-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H]1COC2(CCC2)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000595674055 399029037 /nfs/dbraw/zinc/02/90/37/399029037.db2.gz HXHVQMBZQWHRSH-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000091672790 193089685 /nfs/dbraw/zinc/08/96/85/193089685.db2.gz WGLBSMALJVTKKS-AWEZNQCLSA-N 1 1 319.405 2.686 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000595695502 399039302 /nfs/dbraw/zinc/03/93/02/399039302.db2.gz HZFDUKHFYLCKTR-SWLSCSKDSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@]12CCCC[C@H]1C[N@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599669207 399053785 /nfs/dbraw/zinc/05/37/85/399053785.db2.gz CWIYLKSZNXKXLJ-VBQJREDUSA-N 1 1 320.389 2.599 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000599662894 399051551 /nfs/dbraw/zinc/05/15/51/399051551.db2.gz XXXFUAXJNUJIGB-UPJWGTAASA-N 1 1 324.402 2.820 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000599662894 399051556 /nfs/dbraw/zinc/05/15/56/399051556.db2.gz XXXFUAXJNUJIGB-UPJWGTAASA-N 1 1 324.402 2.820 20 5 DFBDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599690672 399065727 /nfs/dbraw/zinc/06/57/27/399065727.db2.gz OUWIKRSYZKZCTC-XQJDBVBESA-N 1 1 317.389 2.872 20 5 DFBDMO C[C@H]([NH2+]CC(=O)NCc1cccs1)c1ccccc1[N+](=O)[O-] ZINC000271764271 283954789 /nfs/dbraw/zinc/95/47/89/283954789.db2.gz PKYUHSYPOQSBHS-NSHDSACASA-N 1 1 319.386 2.623 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000599701897 399070172 /nfs/dbraw/zinc/07/01/72/399070172.db2.gz YUVHQEXFWTYSNR-UHFFFAOYSA-N 1 1 322.315 2.739 20 5 DFBDMO CC[C@@H]1CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292827726 284010075 /nfs/dbraw/zinc/01/00/75/284010075.db2.gz QUDREQXIXLFRFT-CQSZACIVSA-N 1 1 300.362 2.980 20 5 DFBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCOCC3CCC3)CC2)c1 ZINC000419194052 296127241 /nfs/dbraw/zinc/12/72/41/296127241.db2.gz VOSUYEHYMSKOSH-UHFFFAOYSA-N 1 1 319.405 2.534 20 5 DFBDMO Cc1nn(C)c(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000079927355 399098197 /nfs/dbraw/zinc/09/81/97/399098197.db2.gz ATAVMIDRHRBTKX-BETUJISGSA-N 1 1 323.441 2.807 20 5 DFBDMO COc1ccc(C[NH+]2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000595837639 399106135 /nfs/dbraw/zinc/10/61/35/399106135.db2.gz PUKXNFVZLZDXCF-UHFFFAOYSA-N 1 1 317.345 2.971 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419339343 296136031 /nfs/dbraw/zinc/13/60/31/296136031.db2.gz UQCWQSNJKRXCCO-CABCVRRESA-N 1 1 321.421 2.903 20 5 DFBDMO C[C@@H]1[C@H](C)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000419369998 296137243 /nfs/dbraw/zinc/13/72/43/296137243.db2.gz ISJWAULJDYSJHG-UPJWGTAASA-N 1 1 305.378 2.534 20 5 DFBDMO COc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000275073607 212105991 /nfs/dbraw/zinc/10/59/91/212105991.db2.gz LTCNJRKYMBWUAD-HNNXBMFYSA-N 1 1 316.361 2.578 20 5 DFBDMO COCCCC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000419380312 296138175 /nfs/dbraw/zinc/13/81/75/296138175.db2.gz GKGRJEPDLHOMST-UHFFFAOYSA-N 1 1 323.393 2.590 20 5 DFBDMO Cn1cc(C[N@@H+](C)C2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093475669 193256665 /nfs/dbraw/zinc/25/66/65/193256665.db2.gz CGFZFCPEBWLEEJ-UHFFFAOYSA-N 1 1 300.362 2.980 20 5 DFBDMO COC(=O)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000093383904 193241992 /nfs/dbraw/zinc/24/19/92/193241992.db2.gz XMUDDZONXVSWTD-SOFGYWHQSA-N 1 1 306.362 2.882 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+](C)C(C)C ZINC000094135950 193346086 /nfs/dbraw/zinc/34/60/86/193346086.db2.gz HZULLBNTXJFGSO-UHFFFAOYSA-N 1 1 307.394 2.590 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000595909516 399131979 /nfs/dbraw/zinc/13/19/79/399131979.db2.gz POTCBVXIRGHGHR-NSHDSACASA-N 1 1 321.377 2.520 20 5 DFBDMO O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000340923270 284218499 /nfs/dbraw/zinc/21/84/99/284218499.db2.gz MYSYUYYPNRMSST-AWEZNQCLSA-N 1 1 304.394 2.621 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000264872849 204225650 /nfs/dbraw/zinc/22/56/50/204225650.db2.gz BBAARQFNKCESEA-LBPRGKRZSA-N 1 1 311.407 2.651 20 5 DFBDMO CCOc1cccc(NC[C@@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC000420290593 296169875 /nfs/dbraw/zinc/16/98/75/296169875.db2.gz UQNWQXLRUCQSBB-JTQLQIEISA-N 1 1 315.320 2.650 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[NH2+]CC2(F)F)c2ncccc12 ZINC000420291987 296170245 /nfs/dbraw/zinc/17/02/45/296170245.db2.gz WCLZDMYQYAYGDO-SNVBAGLBSA-N 1 1 322.315 2.800 20 5 DFBDMO Cc1cc(NCC[N@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000080597841 399161577 /nfs/dbraw/zinc/16/15/77/399161577.db2.gz VOBAHAXHYRKOKK-UHFFFAOYSA-N 1 1 312.373 2.768 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338955 296177524 /nfs/dbraw/zinc/17/75/24/296177524.db2.gz YKWUYCSHRSJLMU-STQMWFEESA-N 1 1 307.369 2.555 20 5 DFBDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000342029505 284311087 /nfs/dbraw/zinc/31/10/87/284311087.db2.gz FTHIDVKYVXXRCK-CQSZACIVSA-N 1 1 308.378 2.730 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCCC[C@H]1CCO ZINC000342061758 284318871 /nfs/dbraw/zinc/31/88/71/284318871.db2.gz NEKAHOMOXHSCJD-AWEZNQCLSA-N 1 1 308.378 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000342067165 284321244 /nfs/dbraw/zinc/32/12/44/284321244.db2.gz OXJRNSLNZJQIEF-AWEZNQCLSA-N 1 1 308.378 2.601 20 5 DFBDMO C[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271705434 209141176 /nfs/dbraw/zinc/14/11/76/209141176.db2.gz IBXWEHYCTOYGPZ-CYBMUJFWSA-N 1 1 319.405 2.942 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000080989019 399200854 /nfs/dbraw/zinc/20/08/54/399200854.db2.gz XOUBKWSJWCGJHJ-CQSZACIVSA-N 1 1 300.362 2.740 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000080989018 399201357 /nfs/dbraw/zinc/20/13/57/399201357.db2.gz XOUBKWSJWCGJHJ-AWEZNQCLSA-N 1 1 300.362 2.740 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081049578 399208475 /nfs/dbraw/zinc/20/84/75/399208475.db2.gz MDLNDMOKMKEWFD-BXKDBHETSA-N 1 1 304.268 2.655 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081049578 399208478 /nfs/dbraw/zinc/20/84/78/399208478.db2.gz MDLNDMOKMKEWFD-BXKDBHETSA-N 1 1 304.268 2.655 20 5 DFBDMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000018177044 182096507 /nfs/dbraw/zinc/09/65/07/182096507.db2.gz IHNBOTLUMRKXLE-ZDUSSCGKSA-N 1 1 318.333 2.612 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000288494093 220179284 /nfs/dbraw/zinc/17/92/84/220179284.db2.gz RRPHVWHXPDDJDB-AWEZNQCLSA-N 1 1 305.378 2.718 20 5 DFBDMO O=[N+]([O-])c1ccc2nccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000601104799 399228149 /nfs/dbraw/zinc/22/81/49/399228149.db2.gz HELIQTWLBLNNLO-QWHCGFSZSA-N 1 1 312.373 2.604 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267413801 206049435 /nfs/dbraw/zinc/04/94/35/206049435.db2.gz QZKOBSGYLHUPKF-QWRGUYRKSA-N 1 1 323.780 2.557 20 5 DFBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000601132114 399236381 /nfs/dbraw/zinc/23/63/81/399236381.db2.gz AMGMPZVSXYGTMX-SMDDNHRTSA-N 1 1 320.368 2.582 20 5 DFBDMO CN(C[C@H]1CCC[C@H]1O)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601134833 399237093 /nfs/dbraw/zinc/23/70/93/399237093.db2.gz IMUJXELWACQXBN-BDJLRTHQSA-N 1 1 301.346 2.740 20 5 DFBDMO CC1(C)C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601135250 399237219 /nfs/dbraw/zinc/23/72/19/399237219.db2.gz SJBVBPRBURHSNU-NSHDSACASA-N 1 1 301.346 2.934 20 5 DFBDMO C[C@](CO)([NH2+]Cc1cncc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000601148651 399241074 /nfs/dbraw/zinc/24/10/74/399241074.db2.gz GFSRBWZOUXKCAY-OAHLLOKOSA-N 1 1 321.764 2.641 20 5 DFBDMO Cc1nc(C)c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601149516 399241551 /nfs/dbraw/zinc/24/15/51/399241551.db2.gz NKCOEJGDFVWAAK-HNNXBMFYSA-N 1 1 321.402 2.665 20 5 DFBDMO CCc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC000601150346 399241788 /nfs/dbraw/zinc/24/17/88/399241788.db2.gz WCKIUZLXXLUMKL-INIZCTEOSA-N 1 1 304.346 2.748 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000065536743 399245666 /nfs/dbraw/zinc/24/56/66/399245666.db2.gz VYUWYGDDBHMAHS-HZPDHXFCSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000065536743 399245668 /nfs/dbraw/zinc/24/56/68/399245668.db2.gz VYUWYGDDBHMAHS-HZPDHXFCSA-N 1 1 306.362 2.617 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601170956 399247094 /nfs/dbraw/zinc/24/70/94/399247094.db2.gz XGMLZDDLVRMNDI-GFCCVEGCSA-N 1 1 323.368 2.728 20 5 DFBDMO C[C@H]1C[C@H](CO)CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601174650 399247683 /nfs/dbraw/zinc/24/76/83/399247683.db2.gz FACZGULDIKDJSJ-RYUDHWBXSA-N 1 1 301.346 2.598 20 5 DFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184146 399249921 /nfs/dbraw/zinc/24/99/21/399249921.db2.gz IDFJYISTHFTISI-OLZOCXBDSA-N 1 1 312.373 2.531 20 5 DFBDMO CCOc1cc(N2CCC[N@@H+](C)C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000601189229 399251224 /nfs/dbraw/zinc/25/12/24/399251224.db2.gz PDIBRIXWKZGAET-CYBMUJFWSA-N 1 1 307.394 2.914 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H](CCO)CC2)ccc1[N+](=O)[O-] ZINC000421008615 296223890 /nfs/dbraw/zinc/22/38/90/296223890.db2.gz DKOVGUDZTHYCPS-AWEZNQCLSA-N 1 1 322.405 2.978 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[N@H+]1C ZINC000421004015 296223740 /nfs/dbraw/zinc/22/37/40/296223740.db2.gz NSNHZZGYGILWJX-MRXNPFEDSA-N 1 1 321.421 2.908 20 5 DFBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@]1(C)CO ZINC000601198779 399253345 /nfs/dbraw/zinc/25/33/45/399253345.db2.gz HRXAFXKMIOPPSJ-BDJLRTHQSA-N 1 1 301.346 2.598 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000614771726 399266482 /nfs/dbraw/zinc/26/64/82/399266482.db2.gz QGUJYFKZKUBCIL-CYBMUJFWSA-N 1 1 315.377 2.502 20 5 DFBDMO CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000601281975 399269691 /nfs/dbraw/zinc/26/96/91/399269691.db2.gz YCBXXVSVAHSYMA-OAGGEKHMSA-N 1 1 319.405 2.892 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601590347 399304994 /nfs/dbraw/zinc/30/49/94/399304994.db2.gz VQOABWDTHQSVMW-NSHDSACASA-N 1 1 311.357 2.584 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619178975 399308462 /nfs/dbraw/zinc/30/84/62/399308462.db2.gz BCUZSRRLEITHOV-RYUDHWBXSA-N 1 1 319.361 2.861 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609257617 399310591 /nfs/dbraw/zinc/31/05/91/399310591.db2.gz AUZVBZLZYJISJM-HNNXBMFYSA-N 1 1 316.361 2.507 20 5 DFBDMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609258577 399311055 /nfs/dbraw/zinc/31/10/55/399311055.db2.gz GKKNILREMSDIAU-NSHDSACASA-N 1 1 320.374 2.639 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601664129 399317109 /nfs/dbraw/zinc/31/71/09/399317109.db2.gz IQWNEFIMTNKNCJ-LLVKDONJSA-N 1 1 323.368 2.584 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000615256656 399318660 /nfs/dbraw/zinc/31/86/60/399318660.db2.gz SETQWAJHOLWXSO-ZDUSSCGKSA-N 1 1 319.405 2.884 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000615256656 399318664 /nfs/dbraw/zinc/31/86/64/399318664.db2.gz SETQWAJHOLWXSO-ZDUSSCGKSA-N 1 1 319.405 2.884 20 5 DFBDMO CO[C@@]1(C)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000619284001 399324684 /nfs/dbraw/zinc/32/46/84/399324684.db2.gz YEUQHBXGSZYYGV-INIZCTEOSA-N 1 1 308.378 2.865 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000421903915 296280237 /nfs/dbraw/zinc/28/02/37/296280237.db2.gz FTXCYUXJQWVUOK-CYBMUJFWSA-N 1 1 307.394 2.670 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421910508 296280960 /nfs/dbraw/zinc/28/09/60/296280960.db2.gz PYFDISAHXRUURO-AWEZNQCLSA-N 1 1 319.405 2.816 20 5 DFBDMO Cc1cc(C(=O)NCC[N@H+](C)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000104574898 194016688 /nfs/dbraw/zinc/01/66/88/194016688.db2.gz ITGAGPYTDHNMNL-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1[nH+]ccn1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000610279737 399353417 /nfs/dbraw/zinc/35/34/17/399353417.db2.gz KDLCDSAORZRRAQ-ZDUSSCGKSA-N 1 1 301.350 2.645 20 5 DFBDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619516248 399356674 /nfs/dbraw/zinc/35/66/74/399356674.db2.gz PLJZYCJRYIGCED-JJRVBVJISA-N 1 1 320.389 2.926 20 5 DFBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619516248 399356678 /nfs/dbraw/zinc/35/66/78/399356678.db2.gz PLJZYCJRYIGCED-JJRVBVJISA-N 1 1 320.389 2.926 20 5 DFBDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000619516249 399356828 /nfs/dbraw/zinc/35/68/28/399356828.db2.gz PLJZYCJRYIGCED-VBQJREDUSA-N 1 1 320.389 2.926 20 5 DFBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000619516249 399356830 /nfs/dbraw/zinc/35/68/30/399356830.db2.gz PLJZYCJRYIGCED-VBQJREDUSA-N 1 1 320.389 2.926 20 5 DFBDMO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000284811343 218187384 /nfs/dbraw/zinc/18/73/84/218187384.db2.gz PGOFNIWBASBRRZ-ZWNOBZJWSA-N 1 1 309.322 2.502 20 5 DFBDMO CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000284811343 218187388 /nfs/dbraw/zinc/18/73/88/218187388.db2.gz PGOFNIWBASBRRZ-ZWNOBZJWSA-N 1 1 309.322 2.502 20 5 DFBDMO Cn1cc[nH+]c1CC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000105793656 194129124 /nfs/dbraw/zinc/12/91/24/194129124.db2.gz WIMIQAYQKYCRKD-UHFFFAOYSA-N 1 1 318.352 2.927 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)C[C@H]1CCOC1 ZINC000610476215 399370817 /nfs/dbraw/zinc/37/08/17/399370817.db2.gz CTUNIIQVADABBD-CYBMUJFWSA-N 1 1 308.378 2.852 20 5 DFBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC000610476329 399370716 /nfs/dbraw/zinc/37/07/16/399370716.db2.gz LTGYWMFUIILWPE-GFCCVEGCSA-N 1 1 318.352 2.847 20 5 DFBDMO C[C@H]1C[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000610582603 399382127 /nfs/dbraw/zinc/38/21/27/399382127.db2.gz CSWGZLXXUPYRPL-RYUDHWBXSA-N 1 1 318.377 2.651 20 5 DFBDMO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285134222 218303830 /nfs/dbraw/zinc/30/38/30/218303830.db2.gz AKUICSVNCGFOHU-MNOVXSKESA-N 1 1 314.332 2.998 20 5 DFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285134222 218303831 /nfs/dbraw/zinc/30/38/31/218303831.db2.gz AKUICSVNCGFOHU-MNOVXSKESA-N 1 1 314.332 2.998 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000619726593 399384551 /nfs/dbraw/zinc/38/45/51/399384551.db2.gz NAUFSYSXWSNSRA-UHFFFAOYSA-N 1 1 320.389 2.852 20 5 DFBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000106788695 194253485 /nfs/dbraw/zinc/25/34/85/194253485.db2.gz IKQGOCHOTZJGPE-AWEZNQCLSA-N 1 1 317.389 2.650 20 5 DFBDMO CCOC1CC2(C1)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000285354743 218394757 /nfs/dbraw/zinc/39/47/57/218394757.db2.gz BAFOXCYLKAYVHO-UHFFFAOYSA-N 1 1 320.389 2.865 20 5 DFBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000602056098 399390467 /nfs/dbraw/zinc/39/04/67/399390467.db2.gz MSSNPKCSLVJJSI-INIZCTEOSA-N 1 1 317.389 2.570 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000052862989 183877415 /nfs/dbraw/zinc/87/74/15/183877415.db2.gz KJZFRGYXHGYURW-LLVKDONJSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000052862989 183877417 /nfs/dbraw/zinc/87/74/17/183877417.db2.gz KJZFRGYXHGYURW-LLVKDONJSA-N 1 1 320.324 2.805 20 5 DFBDMO CCC[C@H]([NH2+][C@H](C)c1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000268845522 207013630 /nfs/dbraw/zinc/01/36/30/207013630.db2.gz GFSGANQNBPDYOK-RISCZKNCSA-N 1 1 303.366 2.915 20 5 DFBDMO C[N@H+]1CCCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000602109197 399396360 /nfs/dbraw/zinc/39/63/60/399396360.db2.gz IPVSQEBIPAPBIA-INIZCTEOSA-N 1 1 319.405 2.518 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000619868440 399396496 /nfs/dbraw/zinc/39/64/96/399396496.db2.gz VJEPRXGWIXRIFE-UHFFFAOYSA-N 1 1 323.418 2.604 20 5 DFBDMO CC[C@@H](NCC[N@H+](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000268919995 207087002 /nfs/dbraw/zinc/08/70/02/207087002.db2.gz UFGAEYDPBYEWST-MRXNPFEDSA-N 1 1 309.410 2.604 20 5 DFBDMO CC[C@@H](NCC[N@@H+](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000268919995 207087004 /nfs/dbraw/zinc/08/70/04/207087004.db2.gz UFGAEYDPBYEWST-MRXNPFEDSA-N 1 1 309.410 2.604 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cccc(Cl)c1 ZINC000610782580 399406292 /nfs/dbraw/zinc/40/62/92/399406292.db2.gz DMRXDUKTVAIPMX-UHFFFAOYSA-N 1 1 308.769 2.885 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000055927647 184001312 /nfs/dbraw/zinc/00/13/12/184001312.db2.gz SOJBZZKGBYNRBQ-OAHLLOKOSA-N 1 1 317.389 2.848 20 5 DFBDMO O=C(CC[N@H+]1CC[C@H](C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611180026 399442826 /nfs/dbraw/zinc/44/28/26/399442826.db2.gz PZBVKBDIBDVMBN-JTQLQIEISA-N 1 1 313.304 2.510 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180563 399443116 /nfs/dbraw/zinc/44/31/16/399443116.db2.gz ZMNIUHQMJUBJLA-UWVGGRQHSA-N 1 1 313.304 2.509 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180563 399443118 /nfs/dbraw/zinc/44/31/18/399443118.db2.gz ZMNIUHQMJUBJLA-UWVGGRQHSA-N 1 1 313.304 2.509 20 5 DFBDMO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000062070105 184204205 /nfs/dbraw/zinc/20/42/05/184204205.db2.gz OMFKVVNSJOUSGS-UHFFFAOYSA-N 1 1 307.737 2.942 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602447901 399446798 /nfs/dbraw/zinc/44/67/98/399446798.db2.gz CQISJFDPOVXBSW-HNNXBMFYSA-N 1 1 318.352 2.675 20 5 DFBDMO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602459930 399450607 /nfs/dbraw/zinc/45/06/07/399450607.db2.gz WWXKTQMESIFSBV-MRXNPFEDSA-N 1 1 314.389 2.844 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611249490 399450947 /nfs/dbraw/zinc/45/09/47/399450947.db2.gz NALJGFOZHZZGJW-TXEJJXNPSA-N 1 1 306.362 2.844 20 5 DFBDMO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC000602471215 399452996 /nfs/dbraw/zinc/45/29/96/399452996.db2.gz KKDOVBQCGKYVNM-UONOGXRCSA-N 1 1 324.425 2.744 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+](CCCO)C1CC1 ZINC000602471121 399453430 /nfs/dbraw/zinc/45/34/30/399453430.db2.gz FRFXXYKSTSXFQW-UHFFFAOYSA-N 1 1 318.295 2.960 20 5 DFBDMO CO[C@@]1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCOC1 ZINC000602440685 399445016 /nfs/dbraw/zinc/44/50/16/399445016.db2.gz RNMDCRJWKOFHCU-MRXNPFEDSA-N 1 1 308.378 2.611 20 5 DFBDMO Cn1cc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c([N+](=O)[O-])n1 ZINC000602473953 399454364 /nfs/dbraw/zinc/45/43/64/399454364.db2.gz MVQHDYBXDPVVBR-UHFFFAOYSA-N 1 1 318.352 2.880 20 5 DFBDMO Cn1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c([N+](=O)[O-])n1 ZINC000602473953 399454366 /nfs/dbraw/zinc/45/43/66/399454366.db2.gz MVQHDYBXDPVVBR-UHFFFAOYSA-N 1 1 318.352 2.880 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611272180 399455231 /nfs/dbraw/zinc/45/52/31/399455231.db2.gz VWUGQNRGUZMHLX-VXGBXAGGSA-N 1 1 306.362 2.844 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000611272156 399455475 /nfs/dbraw/zinc/45/54/75/399455475.db2.gz LSPAJNJIQAVLQZ-GFCCVEGCSA-N 1 1 324.402 2.693 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000611272156 399455479 /nfs/dbraw/zinc/45/54/79/399455479.db2.gz LSPAJNJIQAVLQZ-GFCCVEGCSA-N 1 1 324.402 2.693 20 5 DFBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602475305 399455575 /nfs/dbraw/zinc/45/55/75/399455575.db2.gz TXFQYZZMWJOWGW-VIFPVBQESA-N 1 1 306.284 2.816 20 5 DFBDMO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611275646 399456619 /nfs/dbraw/zinc/45/66/19/399456619.db2.gz PSIALVHMIRYCEU-HUUCEWRRSA-N 1 1 319.405 2.749 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611275646 399456621 /nfs/dbraw/zinc/45/66/21/399456621.db2.gz PSIALVHMIRYCEU-HUUCEWRRSA-N 1 1 319.405 2.749 20 5 DFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000611298450 399459789 /nfs/dbraw/zinc/45/97/89/399459789.db2.gz IIBDBPPSHWHMPC-VHSXEESVSA-N 1 1 315.320 2.725 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000063465045 184281906 /nfs/dbraw/zinc/28/19/06/184281906.db2.gz NEASNDJQRUWJHD-AWEZNQCLSA-N 1 1 319.405 2.898 20 5 DFBDMO CCCCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350435 184295356 /nfs/dbraw/zinc/29/53/56/184295356.db2.gz DWZOMBQDFHGRFM-UHFFFAOYSA-N 1 1 307.394 2.722 20 5 DFBDMO CCCCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350435 184295357 /nfs/dbraw/zinc/29/53/57/184295357.db2.gz DWZOMBQDFHGRFM-UHFFFAOYSA-N 1 1 307.394 2.722 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602515147 399465816 /nfs/dbraw/zinc/46/58/16/399465816.db2.gz NHVGNYQLWMTXNS-LBPRGKRZSA-N 1 1 318.377 2.700 20 5 DFBDMO C[C@H]1CCCCN1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602515147 399465818 /nfs/dbraw/zinc/46/58/18/399465818.db2.gz NHVGNYQLWMTXNS-LBPRGKRZSA-N 1 1 318.377 2.700 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCOC3CCCC3)nc2c1 ZINC000602525846 399468116 /nfs/dbraw/zinc/46/81/16/399468116.db2.gz BSMQPWMHCFPFHU-UHFFFAOYSA-N 1 1 305.334 2.785 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611578442 399496283 /nfs/dbraw/zinc/49/62/83/399496283.db2.gz OLPICOKPWIBPIJ-ZDUSSCGKSA-N 1 1 316.304 2.677 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1N ZINC000602651205 399502760 /nfs/dbraw/zinc/50/27/60/399502760.db2.gz RJELYEBDFNPWMC-UHFFFAOYSA-N 1 1 303.337 2.991 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602656817 399504664 /nfs/dbraw/zinc/50/46/64/399504664.db2.gz OEHYZIHJOWJYSJ-GFCCVEGCSA-N 1 1 318.377 2.556 20 5 DFBDMO CCOC1CC([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602662805 399508047 /nfs/dbraw/zinc/50/80/47/399508047.db2.gz ANGAVIVJEVBEAL-UHFFFAOYSA-N 1 1 305.334 2.735 20 5 DFBDMO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347017803 285005799 /nfs/dbraw/zinc/00/57/99/285005799.db2.gz YQIHEFUZFGTWFT-GFCCVEGCSA-N 1 1 323.780 2.557 20 5 DFBDMO COC[C@H]1CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602674109 399514778 /nfs/dbraw/zinc/51/47/78/399514778.db2.gz HJORYVFHVIJKMP-LLVKDONJSA-N 1 1 304.268 2.834 20 5 DFBDMO COC[C@H]1CC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602674109 399514779 /nfs/dbraw/zinc/51/47/79/399514779.db2.gz HJORYVFHVIJKMP-LLVKDONJSA-N 1 1 304.268 2.834 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000119912340 195061604 /nfs/dbraw/zinc/06/16/04/195061604.db2.gz DRSGIZCZJHIHQQ-XHSDSOJGSA-N 1 1 304.390 2.883 20 5 DFBDMO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000422933001 296357154 /nfs/dbraw/zinc/35/71/54/296357154.db2.gz BBLGHMQTXYPDBV-NSHDSACASA-N 1 1 300.362 2.608 20 5 DFBDMO CC[N@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602696047 399524306 /nfs/dbraw/zinc/52/43/06/399524306.db2.gz ZTMWMJHLFVIRSJ-LBPRGKRZSA-N 1 1 317.311 2.797 20 5 DFBDMO CCN1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602696047 399524316 /nfs/dbraw/zinc/52/43/16/399524316.db2.gz ZTMWMJHLFVIRSJ-LBPRGKRZSA-N 1 1 317.311 2.797 20 5 DFBDMO CC(C)(O)C1C[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602689744 399522079 /nfs/dbraw/zinc/52/20/79/399522079.db2.gz ZQZAZCWUWPQPEY-UHFFFAOYSA-N 1 1 318.295 2.816 20 5 DFBDMO CC(=O)NCC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000347629380 285101564 /nfs/dbraw/zinc/10/15/64/285101564.db2.gz KCJMNZJWJSRGOT-ZFWWWQNUSA-N 1 1 319.405 2.894 20 5 DFBDMO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)ccn1 ZINC000347636333 285105913 /nfs/dbraw/zinc/10/59/13/285105913.db2.gz ZHKGVVJPBFQTQS-LLVKDONJSA-N 1 1 317.345 2.858 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158938858 197313032 /nfs/dbraw/zinc/31/30/32/197313032.db2.gz KCOLMTCCXLFQSB-BBRMVZONSA-N 1 1 319.405 2.520 20 5 DFBDMO Cc1c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641006 197290974 /nfs/dbraw/zinc/29/09/74/197290974.db2.gz ITHCTBLYGZHUCR-NVXWUHKLSA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000602757442 399558151 /nfs/dbraw/zinc/55/81/51/399558151.db2.gz DYOJVEMGDBXRKH-OAHLLOKOSA-N 1 1 300.362 2.937 20 5 DFBDMO COc1ccc([C@@H](C)[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602756842 399558169 /nfs/dbraw/zinc/55/81/69/399558169.db2.gz ALIHKXGAUIMMTP-GFCCVEGCSA-N 1 1 318.377 2.801 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCn3ncnc31)CCC2 ZINC000192939670 285144429 /nfs/dbraw/zinc/14/44/29/285144429.db2.gz GGOSKQBGWFTQER-LSDHHAIUSA-N 1 1 313.361 2.688 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCc2ccccc2C1 ZINC000602776456 399568852 /nfs/dbraw/zinc/56/88/52/399568852.db2.gz REBIZBVVTLRXRY-UHFFFAOYSA-N 1 1 300.362 2.548 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000602778145 399569030 /nfs/dbraw/zinc/56/90/30/399569030.db2.gz FKUSLZPMDLQSIS-XJKSGUPXSA-N 1 1 314.389 2.978 20 5 DFBDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800188 399580141 /nfs/dbraw/zinc/58/01/41/399580141.db2.gz KJOZYWNALNOKNF-CQSZACIVSA-N 1 1 318.377 2.968 20 5 DFBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000602807594 399583482 /nfs/dbraw/zinc/58/34/82/399583482.db2.gz BOTOWWWJOIYJGO-JTQLQIEISA-N 1 1 300.318 2.925 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000602816186 399587780 /nfs/dbraw/zinc/58/77/80/399587780.db2.gz BAWKJANIJZFSME-UHFFFAOYSA-N 1 1 302.378 2.849 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000602843249 399599100 /nfs/dbraw/zinc/59/91/00/399599100.db2.gz ZKNPZPORBMNRIU-INIZCTEOSA-N 1 1 314.389 2.979 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155112547 197023196 /nfs/dbraw/zinc/02/31/96/197023196.db2.gz WSSOVLZZCGCGNF-JTQLQIEISA-N 1 1 313.785 2.708 20 5 DFBDMO Cc1cnccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000294784349 224219548 /nfs/dbraw/zinc/21/95/48/224219548.db2.gz KGUBBLLOPBJDGR-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000602873646 399611624 /nfs/dbraw/zinc/61/16/24/399611624.db2.gz RNDKFPUMDCOOMK-CYBMUJFWSA-N 1 1 322.409 2.523 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000066137597 542457860 /nfs/dbraw/zinc/45/78/60/542457860.db2.gz CZRVAYDAAUBZBX-SNVBAGLBSA-N 1 1 313.785 2.708 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602884086 399615210 /nfs/dbraw/zinc/61/52/10/399615210.db2.gz ZOCWLWOFYQLIJX-CQSZACIVSA-N 1 1 302.334 2.664 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602884086 399615214 /nfs/dbraw/zinc/61/52/14/399615214.db2.gz ZOCWLWOFYQLIJX-CQSZACIVSA-N 1 1 302.334 2.664 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602890950 399617223 /nfs/dbraw/zinc/61/72/23/399617223.db2.gz DPBFNVNCKXIWJH-AWEZNQCLSA-N 1 1 319.340 2.553 20 5 DFBDMO Cn1cc(C2=CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC000602889451 399617537 /nfs/dbraw/zinc/61/75/37/399617537.db2.gz WEZWAAGOGYXHHN-UHFFFAOYSA-N 1 1 316.336 2.757 20 5 DFBDMO Cn1cc(C2=CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC000602889451 399617543 /nfs/dbraw/zinc/61/75/43/399617543.db2.gz WEZWAAGOGYXHHN-UHFFFAOYSA-N 1 1 316.336 2.757 20 5 DFBDMO Cn1cc(C[NH2+][C@]2(c3ccccc3)CC2(C)C)c([N+](=O)[O-])n1 ZINC000602899935 399619407 /nfs/dbraw/zinc/61/94/07/399619407.db2.gz CBXMPZXZNJEUIH-INIZCTEOSA-N 1 1 300.362 2.743 20 5 DFBDMO C[C@@H](c1cccnc1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271598639 209046951 /nfs/dbraw/zinc/04/69/51/209046951.db2.gz UWAXVCRXDDTJIM-BLLLJJGKSA-N 1 1 301.346 2.716 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289874680 221285719 /nfs/dbraw/zinc/28/57/19/221285719.db2.gz LZKPSVXJXYVGRX-AWEZNQCLSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289874680 221285724 /nfs/dbraw/zinc/28/57/24/221285724.db2.gz LZKPSVXJXYVGRX-AWEZNQCLSA-N 1 1 306.753 2.892 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CCF)CC1 ZINC000602949373 399636369 /nfs/dbraw/zinc/63/63/69/399636369.db2.gz ZGLZBUIVOKCZOG-GFCCVEGCSA-N 1 1 323.368 2.993 20 5 DFBDMO C[C@@H](C[NH+](C)C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289964408 221346254 /nfs/dbraw/zinc/34/62/54/221346254.db2.gz CQQYEYSGPZGLMP-LBPRGKRZSA-N 1 1 303.362 2.895 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000290030166 221390064 /nfs/dbraw/zinc/39/00/64/221390064.db2.gz VTXORLRXOMDDFU-OAHLLOKOSA-N 1 1 320.780 2.934 20 5 DFBDMO CCc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc1 ZINC000602963533 399641305 /nfs/dbraw/zinc/64/13/05/399641305.db2.gz XNUOLTUSYYNROB-QGZVFWFLSA-N 1 1 315.373 2.550 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997655 399654354 /nfs/dbraw/zinc/65/43/54/399654354.db2.gz OLGHYFQIDOPGHX-PMPSAXMXSA-N 1 1 320.389 2.729 20 5 DFBDMO C[C@@H]1C[C@@H](CC(F)(F)F)[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000602967480 399642884 /nfs/dbraw/zinc/64/28/84/399642884.db2.gz JFNZICLKYJQKDS-VWYCJHECSA-N 1 1 320.315 2.843 20 5 DFBDMO C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000603119678 399686804 /nfs/dbraw/zinc/68/68/04/399686804.db2.gz KMFJRRWVKLQWFD-UHFFFAOYSA-N 1 1 321.421 2.998 20 5 DFBDMO C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000603119678 399686806 /nfs/dbraw/zinc/68/68/06/399686806.db2.gz KMFJRRWVKLQWFD-UHFFFAOYSA-N 1 1 321.421 2.998 20 5 DFBDMO C[S@](=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000121829868 195356950 /nfs/dbraw/zinc/35/69/50/195356950.db2.gz LWVWMPTYZPKWKY-KSFYIVLOSA-N 1 1 318.398 2.804 20 5 DFBDMO COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000293047068 533570839 /nfs/dbraw/zinc/57/08/39/533570839.db2.gz SUIZPUBHRXYZRX-QGZVFWFLSA-N 1 1 319.405 2.521 20 5 DFBDMO Cc1cc(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000603402030 399767004 /nfs/dbraw/zinc/76/70/04/399767004.db2.gz LNXFPRVFOMWHIA-AWEZNQCLSA-N 1 1 319.405 2.593 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000348374869 285515943 /nfs/dbraw/zinc/51/59/43/285515943.db2.gz AMMCLYQPDBLLIK-GZBFAFLISA-N 1 1 318.352 2.898 20 5 DFBDMO C[N@@H+](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000209839064 542869490 /nfs/dbraw/zinc/86/94/90/542869490.db2.gz QIMMWIVSPCVCJC-FLIBITNWSA-N 1 1 317.389 2.599 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000424341911 296503737 /nfs/dbraw/zinc/50/37/37/296503737.db2.gz FCRBANDBOYDLEQ-HLPPOEQASA-N 1 1 312.373 2.806 20 5 DFBDMO Cc1nn(C)c(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301298379 543046210 /nfs/dbraw/zinc/04/62/10/543046210.db2.gz TTZWXVBAFFIXJJ-NSHDSACASA-N 1 1 309.414 2.559 20 5 DFBDMO C[N@@H+](CCCNc1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000309772545 543066178 /nfs/dbraw/zinc/06/61/78/543066178.db2.gz SRDHAGHBDWRBTC-UHFFFAOYSA-N 1 1 300.362 2.924 20 5 DFBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000309764485 543066228 /nfs/dbraw/zinc/06/62/28/543066228.db2.gz FSHIYCKYFXNBMK-GFCCVEGCSA-N 1 1 315.377 2.504 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)o1 ZINC000604554222 399855187 /nfs/dbraw/zinc/85/51/87/399855187.db2.gz NZBZCFLLZXIPBG-CQSZACIVSA-N 1 1 316.361 2.974 20 5 DFBDMO Cc1noc([C@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000052862990 425885994 /nfs/dbraw/zinc/88/59/94/425885994.db2.gz KJZFRGYXHGYURW-NSHDSACASA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000052862990 425885995 /nfs/dbraw/zinc/88/59/95/425885995.db2.gz KJZFRGYXHGYURW-NSHDSACASA-N 1 1 320.324 2.805 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)cs1 ZINC000188151370 145776579 /nfs/dbraw/zinc/77/65/79/145776579.db2.gz GIMNFOSQMBSFOA-OLZOCXBDSA-N 1 1 324.427 2.926 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245397749 146064726 /nfs/dbraw/zinc/06/47/26/146064726.db2.gz QGEMRPTTYKPRQQ-QWHCGFSZSA-N 1 1 322.409 2.685 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427700 146069350 /nfs/dbraw/zinc/06/93/50/146069350.db2.gz MCFIHFFWUABDSY-XJKSGUPXSA-N 1 1 321.421 2.766 20 5 DFBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1c1ccccc1 ZINC000246184590 146127384 /nfs/dbraw/zinc/12/73/84/146127384.db2.gz KUTBHMRENGGJPI-GDBMZVCRSA-N 1 1 314.389 2.917 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000255148021 146230866 /nfs/dbraw/zinc/23/08/66/146230866.db2.gz MVHUFCKIOZPZAS-DXTPNHAXSA-N 1 1 316.279 2.607 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000255148021 146230871 /nfs/dbraw/zinc/23/08/71/146230871.db2.gz MVHUFCKIOZPZAS-DXTPNHAXSA-N 1 1 316.279 2.607 20 5 DFBDMO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)cn2cc[nH+]c12 ZINC000355425893 147311028 /nfs/dbraw/zinc/31/10/28/147311028.db2.gz UWJIAEVSXYDEBB-UHFFFAOYSA-N 1 1 302.315 2.865 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000355578048 147371276 /nfs/dbraw/zinc/37/12/76/147371276.db2.gz FFNYCBQGAKNQDQ-STQMWFEESA-N 1 1 320.393 2.816 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000356622709 147758856 /nfs/dbraw/zinc/75/88/56/147758856.db2.gz CHYFRWBZGVKNFR-JTQLQIEISA-N 1 1 313.423 2.815 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000357736896 148101748 /nfs/dbraw/zinc/10/17/48/148101748.db2.gz CMVILNJNMVRSDT-IJEWVQPXSA-N 1 1 322.405 2.845 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000357774406 148116871 /nfs/dbraw/zinc/11/68/71/148116871.db2.gz KNKASWAINJOGDV-JTQLQIEISA-N 1 1 311.411 2.836 20 5 DFBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000357918176 148175534 /nfs/dbraw/zinc/17/55/34/148175534.db2.gz BQPOPIYSWNWXGD-UONOGXRCSA-N 1 1 324.425 2.707 20 5 DFBDMO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000358009934 148210086 /nfs/dbraw/zinc/21/00/86/148210086.db2.gz WVSKRTOHJSGXNU-LBPRGKRZSA-N 1 1 313.357 2.805 20 5 DFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358214542 148287785 /nfs/dbraw/zinc/28/77/85/148287785.db2.gz VHWGCHVKUMKJBL-JKSUJKDBSA-N 1 1 308.378 2.599 20 5 DFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)cc1 ZINC000358272470 148314029 /nfs/dbraw/zinc/31/40/29/148314029.db2.gz YRDKAVXXRZKDAF-UHFFFAOYSA-N 1 1 308.769 2.967 20 5 DFBDMO C[C@@H]1CCCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000358415739 148351520 /nfs/dbraw/zinc/35/15/20/148351520.db2.gz UJIWDONTEXDKSQ-UKRRQHHQSA-N 1 1 308.378 2.599 20 5 DFBDMO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000358971483 148500200 /nfs/dbraw/zinc/50/02/00/148500200.db2.gz VGZKJNTZVGGTTQ-MRXNPFEDSA-N 1 1 323.356 2.635 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000361042547 149016010 /nfs/dbraw/zinc/01/60/10/149016010.db2.gz LKYSYYIKFRMEQK-CQSZACIVSA-N 1 1 323.441 2.900 20 5 DFBDMO Cc1ccncc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000361414608 149108680 /nfs/dbraw/zinc/10/86/80/149108680.db2.gz VZOXUPFBISZTGG-UHFFFAOYSA-N 1 1 301.346 2.809 20 5 DFBDMO COc1cc(C[N@@H+](CC2CCC2)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000361492885 149129218 /nfs/dbraw/zinc/12/92/18/149129218.db2.gz NFKKHCXIWIYRHI-GFCCVEGCSA-N 1 1 308.378 2.586 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361516555 149136961 /nfs/dbraw/zinc/13/69/61/149136961.db2.gz RIWPDSQAGPPKDD-CABCVRRESA-N 1 1 318.377 2.685 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1CO ZINC000361655306 149181996 /nfs/dbraw/zinc/18/19/96/149181996.db2.gz OXQDTALIEPHGTA-GXTWGEPZSA-N 1 1 316.357 2.915 20 5 DFBDMO Cc1ccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000362618144 149324826 /nfs/dbraw/zinc/32/48/26/149324826.db2.gz WLXKXEBUXLBYKY-FMKPAKJESA-N 1 1 317.389 2.522 20 5 DFBDMO O=C(CC[N@H+]1CC[C@@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371308588 150020545 /nfs/dbraw/zinc/02/05/45/150020545.db2.gz QAHJHRKXIJQFKZ-CYBMUJFWSA-N 1 1 303.362 2.655 20 5 DFBDMO CO[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371733281 150087661 /nfs/dbraw/zinc/08/76/61/150087661.db2.gz BLAREAQBPSEFLC-HNNXBMFYSA-N 1 1 308.378 2.865 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000371817974 150099818 /nfs/dbraw/zinc/09/98/18/150099818.db2.gz YISDFBGDATYHOW-ZDUSSCGKSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1cc([C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cs1 ZINC000372274737 150156628 /nfs/dbraw/zinc/15/66/28/150156628.db2.gz SHAAKVHJHKXUEL-LLVKDONJSA-N 1 1 306.391 2.688 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C2CC2)C1 ZINC000372861707 150194191 /nfs/dbraw/zinc/19/41/91/150194191.db2.gz XPSMFCUJYCKOFM-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO CN(C[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000373047880 150221818 /nfs/dbraw/zinc/22/18/18/150221818.db2.gz SWSBNHRDACMFHQ-NSHDSACASA-N 1 1 304.325 2.629 20 5 DFBDMO C[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000352184075 286313920 /nfs/dbraw/zinc/31/39/20/286313920.db2.gz MIDLJKFWJLWCPF-OUAUKWLOSA-N 1 1 309.341 2.934 20 5 DFBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCOC1 ZINC000352232361 286324442 /nfs/dbraw/zinc/32/44/42/286324442.db2.gz UTFPHERKRDMOGD-HNNXBMFYSA-N 1 1 317.345 2.861 20 5 DFBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCOC1 ZINC000352232361 286324443 /nfs/dbraw/zinc/32/44/43/286324443.db2.gz UTFPHERKRDMOGD-HNNXBMFYSA-N 1 1 317.345 2.861 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000372616184 292296029 /nfs/dbraw/zinc/29/60/29/292296029.db2.gz CQJYEFDFMFFQKL-LRDDRELGSA-N 1 1 319.361 2.539 20 5 DFBDMO COc1cccc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000373060028 286456657 /nfs/dbraw/zinc/45/66/57/286456657.db2.gz RVZLNHGUMVGVIR-GFCCVEGCSA-N 1 1 316.361 2.721 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000245812181 158081062 /nfs/dbraw/zinc/08/10/62/158081062.db2.gz ZPODDAIPWGCOSY-LFECJLGQSA-N 1 1 301.390 2.777 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000246353545 158086804 /nfs/dbraw/zinc/08/68/04/158086804.db2.gz WKYWHUZRTMQWJF-JKSUJKDBSA-N 1 1 316.361 2.579 20 5 DFBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248370857 158168908 /nfs/dbraw/zinc/16/89/08/158168908.db2.gz YAJIBZLSRJLNHD-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H](C1CC1)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248456342 158178006 /nfs/dbraw/zinc/17/80/06/158178006.db2.gz LNVKBRLMHDRICD-SWLSCSKDSA-N 1 1 320.389 2.597 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000355207604 158298610 /nfs/dbraw/zinc/29/86/10/158298610.db2.gz OMCOFPXRYZVNHF-HUUCEWRRSA-N 1 1 320.389 2.852 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000357034662 158352698 /nfs/dbraw/zinc/35/26/98/158352698.db2.gz IQNBNROYKAWPMU-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000357058826 158358278 /nfs/dbraw/zinc/35/82/78/158358278.db2.gz WMAZWOMKRPVVJS-ZDUSSCGKSA-N 1 1 307.369 2.555 20 5 DFBDMO COC(=O)c1cc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000129706749 196069438 /nfs/dbraw/zinc/06/94/38/196069438.db2.gz NHNZQUGCLDDOCD-FZMZJTMJSA-N 1 1 321.377 2.522 20 5 DFBDMO COC(=O)c1cc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000129706572 196069709 /nfs/dbraw/zinc/06/97/09/196069709.db2.gz NHNZQUGCLDDOCD-RISCZKNCSA-N 1 1 321.377 2.522 20 5 DFBDMO CC[N@@H+](C)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000054127815 425889392 /nfs/dbraw/zinc/88/93/92/425889392.db2.gz BXJQXTJLVSKZQX-UHFFFAOYSA-N 1 1 302.172 2.721 20 5 DFBDMO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000133003026 196303370 /nfs/dbraw/zinc/30/33/70/196303370.db2.gz DGFUYNRTDKHREZ-ZDUSSCGKSA-N 1 1 323.393 2.515 20 5 DFBDMO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000133003026 196303372 /nfs/dbraw/zinc/30/33/72/196303372.db2.gz DGFUYNRTDKHREZ-ZDUSSCGKSA-N 1 1 323.393 2.515 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000054460353 425890689 /nfs/dbraw/zinc/89/06/89/425890689.db2.gz PMBIFMFEUFNQMR-LLVKDONJSA-N 1 1 323.418 2.531 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000299658001 229307530 /nfs/dbraw/zinc/30/75/30/229307530.db2.gz QCEDDIHPNDBOOZ-ZDUSSCGKSA-N 1 1 305.378 2.507 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1CCCC1 ZINC000064021439 425901595 /nfs/dbraw/zinc/90/15/95/425901595.db2.gz QZSVOAZETFDYAQ-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO C[C@@H]1c2cccn2CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386555 425910007 /nfs/dbraw/zinc/91/00/07/425910007.db2.gz UBCNWRSGTTVULI-CYBMUJFWSA-N 1 1 301.346 2.852 20 5 DFBDMO C[C@@H]1c2cccn2CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386555 425910008 /nfs/dbraw/zinc/91/00/08/425910008.db2.gz UBCNWRSGTTVULI-CYBMUJFWSA-N 1 1 301.346 2.852 20 5 DFBDMO C[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068830069 425922597 /nfs/dbraw/zinc/92/25/97/425922597.db2.gz OYUNLNHTJGFJAF-ZDUSSCGKSA-N 1 1 305.378 2.680 20 5 DFBDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000007787623 267377612 /nfs/dbraw/zinc/37/76/12/267377612.db2.gz FORBQSNDWRDEFO-SNVBAGLBSA-N 1 1 311.769 2.919 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000007787623 267377616 /nfs/dbraw/zinc/37/76/16/267377616.db2.gz FORBQSNDWRDEFO-SNVBAGLBSA-N 1 1 311.769 2.919 20 5 DFBDMO COc1ccc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000007811773 425652404 /nfs/dbraw/zinc/65/24/04/425652404.db2.gz DQNNJWVRVRMTQD-RYUDHWBXSA-N 1 1 321.377 2.520 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194715204 268112977 /nfs/dbraw/zinc/11/29/77/268112977.db2.gz ZLOVEJJNKTUBMJ-NWDGAFQWSA-N 1 1 314.345 2.668 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000248368250 268165848 /nfs/dbraw/zinc/16/58/48/268165848.db2.gz UZBVSUJKVLRGBB-UHTWSYAYSA-N 1 1 305.378 2.961 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000277585474 268265425 /nfs/dbraw/zinc/26/54/25/268265425.db2.gz RVWMGLMEBXVETL-CQSZACIVSA-N 1 1 317.389 2.650 20 5 DFBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000125874295 425993818 /nfs/dbraw/zinc/99/38/18/425993818.db2.gz WCLUSNCDWPYEPC-GFCCVEGCSA-N 1 1 321.377 2.664 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105293835 425967973 /nfs/dbraw/zinc/96/79/73/425967973.db2.gz TVAZHPLFPNRHBE-UHFFFAOYSA-N 1 1 320.393 2.899 20 5 DFBDMO CC[C@H](C)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000337317779 268475126 /nfs/dbraw/zinc/47/51/26/268475126.db2.gz LTBLRPQMGIPEIC-LBPRGKRZSA-N 1 1 317.393 2.782 20 5 DFBDMO CCCC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000109333515 426030617 /nfs/dbraw/zinc/03/06/17/426030617.db2.gz ZZROBMJWICEQSI-UHFFFAOYSA-N 1 1 324.377 2.710 20 5 DFBDMO CC[N@@H+](CCCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162458432 426065439 /nfs/dbraw/zinc/06/54/39/426065439.db2.gz ZTBHLIBDDPRHCG-UHFFFAOYSA-N 1 1 317.183 2.562 20 5 DFBDMO COCCOC[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000075951928 426090247 /nfs/dbraw/zinc/09/02/47/426090247.db2.gz BOJFTQNFLZBCJP-KBPBESRZSA-N 1 1 308.378 2.641 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000113198293 426105752 /nfs/dbraw/zinc/10/57/52/426105752.db2.gz UUIUQONTZPTDEL-AWEZNQCLSA-N 1 1 319.405 2.898 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000113232014 426109592 /nfs/dbraw/zinc/10/95/92/426109592.db2.gz LOAXZBSFGYUDNC-CMPLNLGQSA-N 1 1 323.780 2.557 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000076481752 426113817 /nfs/dbraw/zinc/11/38/17/426113817.db2.gz SXANSGQWDKODLL-IUODEOHRSA-N 1 1 319.405 2.706 20 5 DFBDMO CCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000114352595 426132845 /nfs/dbraw/zinc/13/28/45/426132845.db2.gz BWLFZDGCYSXIDC-UHFFFAOYSA-N 1 1 311.407 2.523 20 5 DFBDMO Cc1c([C@H](C)NCC2([NH+](C)C)CCOCC2)cccc1[N+](=O)[O-] ZINC000168304039 426134956 /nfs/dbraw/zinc/13/49/56/426134956.db2.gz HBIUYYGPRKMNNW-AWEZNQCLSA-N 1 1 321.421 2.665 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075538750 426077611 /nfs/dbraw/zinc/07/76/11/426077611.db2.gz FHIQXTVXINACKQ-ZDUSSCGKSA-N 1 1 320.393 2.790 20 5 DFBDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000127812408 426087128 /nfs/dbraw/zinc/08/71/28/426087128.db2.gz GFOKWCXFRSTXPX-VXGBXAGGSA-N 1 1 305.378 2.562 20 5 DFBDMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC1CC1 ZINC000078664834 426180130 /nfs/dbraw/zinc/18/01/30/426180130.db2.gz FMXIXQAGGHODPV-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO COCCC[N@@H+](CCOC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273656 426185603 /nfs/dbraw/zinc/18/56/03/426185603.db2.gz OHGXMNUHBHRWHH-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000081097043 426219887 /nfs/dbraw/zinc/21/98/87/426219887.db2.gz SLOOEYZOKYDMDF-DOMZBBRYSA-N 1 1 309.385 2.896 20 5 DFBDMO CO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339010941 268747617 /nfs/dbraw/zinc/74/76/17/268747617.db2.gz NMAYTYNHKUPHDJ-LLVKDONJSA-N 1 1 304.268 2.834 20 5 DFBDMO CO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339010941 268747618 /nfs/dbraw/zinc/74/76/18/268747618.db2.gz NMAYTYNHKUPHDJ-LLVKDONJSA-N 1 1 304.268 2.834 20 5 DFBDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118850043 426248175 /nfs/dbraw/zinc/24/81/75/426248175.db2.gz NLZKOJYJHFKRMB-JMSVASOKSA-N 1 1 317.389 2.847 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3F)C2)nc1 ZINC000118866663 426249595 /nfs/dbraw/zinc/24/95/95/426249595.db2.gz QFVRCKRPKLSVGP-ZDUSSCGKSA-N 1 1 316.336 2.815 20 5 DFBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)(C)C ZINC000117338449 426211417 /nfs/dbraw/zinc/21/14/17/426211417.db2.gz LBHXUSXAXXZAGK-UHFFFAOYSA-N 1 1 321.377 2.871 20 5 DFBDMO COC(=O)CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000117334310 426212471 /nfs/dbraw/zinc/21/24/71/426212471.db2.gz WUBIZZXTFYBJLO-UHFFFAOYSA-N 1 1 300.742 2.633 20 5 DFBDMO COC(=O)CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000117334310 426212473 /nfs/dbraw/zinc/21/24/73/426212473.db2.gz WUBIZZXTFYBJLO-UHFFFAOYSA-N 1 1 300.742 2.633 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000175089136 426279516 /nfs/dbraw/zinc/27/95/16/426279516.db2.gz ASQMYAVBUPXIJP-CYBMUJFWSA-N 1 1 320.389 2.994 20 5 DFBDMO CC[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000153617036 426395855 /nfs/dbraw/zinc/39/58/55/426395855.db2.gz MEDSSRBSLNMXEW-UHFFFAOYSA-N 1 1 306.366 2.509 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000153669254 426397624 /nfs/dbraw/zinc/39/76/24/426397624.db2.gz HEISKHRAKXJTBU-UHFFFAOYSA-N 1 1 316.361 2.570 20 5 DFBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244082 426363565 /nfs/dbraw/zinc/36/35/65/426363565.db2.gz GQPXOFJJEDQRBC-QGZVFWFLSA-N 1 1 314.389 2.845 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000153770265 426405734 /nfs/dbraw/zinc/40/57/34/426405734.db2.gz OLQYXIPWHKTJSG-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000122621735 426385217 /nfs/dbraw/zinc/38/52/17/426385217.db2.gz BPIAGFGGHAYCLW-CQSZACIVSA-N 1 1 319.405 2.753 20 5 DFBDMO CCC(=O)N1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122703993 426390152 /nfs/dbraw/zinc/39/01/52/426390152.db2.gz DRGXSHUTPPXSCF-CYBMUJFWSA-N 1 1 305.378 2.600 20 5 DFBDMO CCC(=O)N1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122703993 426390153 /nfs/dbraw/zinc/39/01/53/426390153.db2.gz DRGXSHUTPPXSCF-CYBMUJFWSA-N 1 1 305.378 2.600 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CCC2)C1 ZINC000123266969 426424341 /nfs/dbraw/zinc/42/43/41/426424341.db2.gz GRYKCFPJANIRBT-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(CCC2)C1 ZINC000123266969 426424344 /nfs/dbraw/zinc/42/43/44/426424344.db2.gz GRYKCFPJANIRBT-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nnc[nH]3)CC2)ccc1Cl ZINC000154180507 426429189 /nfs/dbraw/zinc/42/91/89/426429189.db2.gz AFEDHWXGJGHWIT-UHFFFAOYSA-N 1 1 321.768 2.746 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000177040112 426438066 /nfs/dbraw/zinc/43/80/66/426438066.db2.gz OTVRGUICCSEVFC-LLVKDONJSA-N 1 1 311.407 2.521 20 5 DFBDMO COCCO[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000340766456 269009245 /nfs/dbraw/zinc/00/92/45/269009245.db2.gz IIAIGTAUNFVLNG-KBPBESRZSA-N 1 1 308.378 2.783 20 5 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CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000189871012 426970368 /nfs/dbraw/zinc/97/03/68/426970368.db2.gz KTPOILCFWGWFRT-LBPRGKRZSA-N 1 1 306.284 2.648 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC000247984156 426972504 /nfs/dbraw/zinc/97/25/04/426972504.db2.gz KERUNMRQUQEJGG-MRXNPFEDSA-N 1 1 322.405 2.989 20 5 DFBDMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248374515 426992320 /nfs/dbraw/zinc/99/23/20/426992320.db2.gz REFDPUZOAXQQII-QLFBSQMISA-N 1 1 322.405 2.845 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c[nH]c2nccnc12 ZINC000291637341 426934970 /nfs/dbraw/zinc/93/49/70/426934970.db2.gz SUYCUROIWHLQGB-UHFFFAOYSA-N 1 1 311.345 2.541 20 5 DFBDMO CCOCCOCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000190264097 427057989 /nfs/dbraw/zinc/05/79/89/427057989.db2.gz GKCISPJTXCVFQF-AWEZNQCLSA-N 1 1 310.394 2.949 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000248667312 427029335 /nfs/dbraw/zinc/02/93/35/427029335.db2.gz PIDOOHNEWWNMIN-NEPJUHHUSA-N 1 1 309.414 2.652 20 5 DFBDMO Nc1ccc(NCC[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000283577403 427038534 /nfs/dbraw/zinc/03/85/34/427038534.db2.gz OQBCXHLSDDIACC-UHFFFAOYSA-N 1 1 312.373 2.647 20 5 DFBDMO Cn1c(NCc2ccc([N+](=O)[O-])cc2)[nH+]c2cccc(F)c21 ZINC000337939172 427049743 /nfs/dbraw/zinc/04/97/43/427049743.db2.gz WTCAZBXGQSDPRF-UHFFFAOYSA-N 1 1 300.293 3.233 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000276376445 427051127 /nfs/dbraw/zinc/05/11/27/427051127.db2.gz FGJROLVQXORJLV-ZDUSSCGKSA-N 1 1 318.377 2.524 20 5 DFBDMO C[N@H+](CCCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182378919 427066196 /nfs/dbraw/zinc/06/61/96/427066196.db2.gz OKTYJMATPOWDCX-UHFFFAOYSA-N 1 1 308.769 2.967 20 5 DFBDMO C[N@@H+](CCCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182378919 427066205 /nfs/dbraw/zinc/06/62/05/427066205.db2.gz OKTYJMATPOWDCX-UHFFFAOYSA-N 1 1 308.769 2.967 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000276436020 427068459 /nfs/dbraw/zinc/06/84/59/427068459.db2.gz QPGGMAFKUPJAGP-JHJVBQTASA-N 1 1 306.362 2.787 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000283786143 427074955 /nfs/dbraw/zinc/07/49/55/427074955.db2.gz RFOGYUQYDMLTSN-AWEZNQCLSA-N 1 1 319.405 2.966 20 5 DFBDMO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1F ZINC000296167326 427097694 /nfs/dbraw/zinc/09/76/94/427097694.db2.gz ZDMFBDOFNDLIGZ-FGWVZKOKSA-N 1 1 309.341 2.780 20 5 DFBDMO C[C@H](NCC1([NH+](C)C)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283922132 427098724 /nfs/dbraw/zinc/09/87/24/427098724.db2.gz DSHGBYIGTCMRPS-LBPRGKRZSA-N 1 1 306.410 2.702 20 5 DFBDMO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000276557558 427098806 /nfs/dbraw/zinc/09/88/06/427098806.db2.gz SJVLWYTYWOZQTG-INIZCTEOSA-N 1 1 317.389 2.570 20 5 DFBDMO CC(=O)c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000283953830 427103539 /nfs/dbraw/zinc/10/35/39/427103539.db2.gz YLSMHYQEZCONLK-UHFFFAOYSA-N 1 1 314.345 2.905 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276681993 427117364 /nfs/dbraw/zinc/11/73/64/427117364.db2.gz VELVEZWRYIGWEL-JSGCOSHPSA-N 1 1 312.373 2.816 20 5 DFBDMO COc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000292198187 427125536 /nfs/dbraw/zinc/12/55/36/427125536.db2.gz GMBFDBRTYYYCPY-CYBMUJFWSA-N 1 1 319.405 2.914 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000268826796 427131599 /nfs/dbraw/zinc/13/15/99/427131599.db2.gz LJMLUYSHMHGGTO-GXTWGEPZSA-N 1 1 305.378 2.524 20 5 DFBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000268871960 427138187 /nfs/dbraw/zinc/13/81/87/427138187.db2.gz UPXHWHOECCJUAG-GXFFZTMASA-N 1 1 310.785 2.564 20 5 DFBDMO COCC[N@H+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000182751424 427139000 /nfs/dbraw/zinc/13/90/00/427139000.db2.gz NQGSZTYMFSSKQH-CABCVRRESA-N 1 1 321.421 2.617 20 5 DFBDMO CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182834900 427152388 /nfs/dbraw/zinc/15/23/88/427152388.db2.gz FCHXKLHDDVWPNL-GFCCVEGCSA-N 1 1 316.361 2.792 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000292286268 427159284 /nfs/dbraw/zinc/15/92/84/427159284.db2.gz CCXKWFPKGATVKW-WFASDCNBSA-N 1 1 308.378 2.727 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000292286268 427159290 /nfs/dbraw/zinc/15/92/90/427159290.db2.gz CCXKWFPKGATVKW-WFASDCNBSA-N 1 1 308.378 2.727 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264654642 271276620 /nfs/dbraw/zinc/27/66/20/271276620.db2.gz QFHMADIIIGOCEK-RYUDHWBXSA-N 1 1 323.780 2.605 20 5 DFBDMO COc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000270495754 271299184 /nfs/dbraw/zinc/29/91/84/271299184.db2.gz FCNLJXZNGZWTHN-UHFFFAOYSA-N 1 1 320.324 2.850 20 5 DFBDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283171902 271335887 /nfs/dbraw/zinc/33/58/87/271335887.db2.gz PNDVNLMNAOBZAT-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297137321 271356430 /nfs/dbraw/zinc/35/64/30/271356430.db2.gz PYPNANQBIKIHKJ-OLZOCXBDSA-N 1 1 322.409 2.684 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285380796 427215990 /nfs/dbraw/zinc/21/59/90/427215990.db2.gz NFSOQPCLXNDXSL-MRXNPFEDSA-N 1 1 316.361 2.924 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285380796 427215999 /nfs/dbraw/zinc/21/59/99/427215999.db2.gz NFSOQPCLXNDXSL-MRXNPFEDSA-N 1 1 316.361 2.924 20 5 DFBDMO CS[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000296446015 427182412 /nfs/dbraw/zinc/18/24/12/427182412.db2.gz WIUBGINCTPXJGE-GFCCVEGCSA-N 1 1 320.374 2.582 20 5 DFBDMO CS[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000296446015 427182417 /nfs/dbraw/zinc/18/24/17/427182417.db2.gz WIUBGINCTPXJGE-GFCCVEGCSA-N 1 1 320.374 2.582 20 5 DFBDMO C[S@@](=O)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183122494 427204944 /nfs/dbraw/zinc/20/49/44/427204944.db2.gz YMPJJWYIZKRQJR-OYHNWAKOSA-N 1 1 318.398 2.804 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285447113 427232866 /nfs/dbraw/zinc/23/28/66/427232866.db2.gz SHAUPDOWULUBQJ-INIZCTEOSA-N 1 1 316.361 2.924 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285447113 427232877 /nfs/dbraw/zinc/23/28/77/427232877.db2.gz SHAUPDOWULUBQJ-INIZCTEOSA-N 1 1 316.361 2.924 20 5 DFBDMO C[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000255072940 427237891 /nfs/dbraw/zinc/23/78/91/427237891.db2.gz DHDQZZFLJMATSP-DQOKEGCPSA-N 1 1 317.389 2.549 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277831887 427333099 /nfs/dbraw/zinc/33/30/99/427333099.db2.gz RPENOGQBLIXWCH-YPMHNXCESA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277831887 427333107 /nfs/dbraw/zinc/33/31/07/427333107.db2.gz RPENOGQBLIXWCH-YPMHNXCESA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(c3ccccn3)CC2)cs1 ZINC000183782658 427339425 /nfs/dbraw/zinc/33/94/25/427339425.db2.gz OWDFXKNDJKXCBP-UHFFFAOYSA-N 1 1 318.402 2.764 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCN(c3ccccn3)CC2)cs1 ZINC000183782658 427339430 /nfs/dbraw/zinc/33/94/30/427339430.db2.gz OWDFXKNDJKXCBP-UHFFFAOYSA-N 1 1 318.402 2.764 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+](C)C(C)C ZINC000191407573 427344530 /nfs/dbraw/zinc/34/45/30/427344530.db2.gz HQKDELFHEBUTSA-UHFFFAOYSA-N 1 1 308.382 2.673 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277878870 427347519 /nfs/dbraw/zinc/34/75/19/427347519.db2.gz VEQVSAJGGOWLOQ-AAEUAGOBSA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277878870 427347522 /nfs/dbraw/zinc/34/75/22/427347522.db2.gz VEQVSAJGGOWLOQ-AAEUAGOBSA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000293510013 427348665 /nfs/dbraw/zinc/34/86/65/427348665.db2.gz OGFCCUSVLUXWPP-SNVBAGLBSA-N 1 1 318.295 2.818 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000293510013 427348672 /nfs/dbraw/zinc/34/86/72/427348672.db2.gz OGFCCUSVLUXWPP-SNVBAGLBSA-N 1 1 318.295 2.818 20 5 DFBDMO CC[N@@H+](C)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277706372 427290855 /nfs/dbraw/zinc/29/08/55/427290855.db2.gz LLWSPYLPYJOPEZ-UHFFFAOYSA-N 1 1 323.396 2.775 20 5 DFBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330687267 427294084 /nfs/dbraw/zinc/29/40/84/427294084.db2.gz BTEQWVKANHJTEG-LBPRGKRZSA-N 1 1 322.409 2.553 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000271004663 427370322 /nfs/dbraw/zinc/37/03/22/427370322.db2.gz KWGFWYKVXVBNER-SJORKVTESA-N 1 1 313.357 2.860 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000297280594 427384010 /nfs/dbraw/zinc/38/40/10/427384010.db2.gz XHIGUKQWBQHDMJ-ABAIWWIYSA-N 1 1 317.393 2.638 20 5 DFBDMO CC(C)[N@@H+](C)CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000285992132 427395316 /nfs/dbraw/zinc/39/53/16/427395316.db2.gz CTYKWZYQKKSHSW-UHFFFAOYSA-N 1 1 309.395 2.742 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000331299142 427397084 /nfs/dbraw/zinc/39/70/84/427397084.db2.gz VIMQPINTSTVKDV-ZOWXZIJZSA-N 1 1 308.378 2.585 20 5 DFBDMO CCc1n[nH]c(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000191688557 427406952 /nfs/dbraw/zinc/40/69/52/427406952.db2.gz DFPUKINVRMLXLQ-UHFFFAOYSA-N 1 1 315.377 2.655 20 5 DFBDMO CCc1nc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000191688557 427406957 /nfs/dbraw/zinc/40/69/57/427406957.db2.gz DFPUKINVRMLXLQ-UHFFFAOYSA-N 1 1 315.377 2.655 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1CO ZINC000191724961 427411724 /nfs/dbraw/zinc/41/17/24/427411724.db2.gz OGRWJAIURZQBTD-OCCSQVGLSA-N 1 1 316.357 2.915 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000331139759 427354311 /nfs/dbraw/zinc/35/43/11/427354311.db2.gz FCQYFXGRSQFPLW-DOMZBBRYSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000331170450 427362880 /nfs/dbraw/zinc/36/28/80/427362880.db2.gz NYTLYDYCWMAMJZ-WOSRLPQWSA-N 1 1 322.405 2.975 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000277943727 427366449 /nfs/dbraw/zinc/36/64/49/427366449.db2.gz OGEXUGLCUUUGAG-TZMCWYRMSA-N 1 1 319.405 2.753 20 5 DFBDMO CCOc1cc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331195227 427367599 /nfs/dbraw/zinc/36/75/99/427367599.db2.gz XVWUMIAZKOBVAM-CHWSQXEVSA-N 1 1 307.394 2.518 20 5 DFBDMO Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278793190 427454428 /nfs/dbraw/zinc/45/44/28/427454428.db2.gz QJGOZJUDEDRCNW-AWEZNQCLSA-N 1 1 319.405 2.593 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000338745971 427466928 /nfs/dbraw/zinc/46/69/28/427466928.db2.gz PBICTVOUYSFBQQ-KRWDZBQOSA-N 1 1 317.389 2.720 20 5 DFBDMO CCOCC[N@H+]1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1CC ZINC000338669680 427432001 /nfs/dbraw/zinc/43/20/01/427432001.db2.gz ZXJJEOPRYIZQLQ-HNNXBMFYSA-N 1 1 321.421 2.840 20 5 DFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191889415 427439396 /nfs/dbraw/zinc/43/93/96/427439396.db2.gz KOWDUCKDZHMKQT-ZDUSSCGKSA-N 1 1 304.346 2.512 20 5 DFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191889415 427439404 /nfs/dbraw/zinc/43/94/04/427439404.db2.gz KOWDUCKDZHMKQT-ZDUSSCGKSA-N 1 1 304.346 2.512 20 5 DFBDMO CC[N@H+]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278528207 427443788 /nfs/dbraw/zinc/44/37/88/427443788.db2.gz ZWUHJDRKVLEARR-UHFFFAOYSA-N 1 1 318.299 2.541 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000192175289 427496507 /nfs/dbraw/zinc/49/65/07/427496507.db2.gz HVLVETNBOKZZQY-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@H](C)CC1 ZINC000192175289 427496512 /nfs/dbraw/zinc/49/65/12/427496512.db2.gz HVLVETNBOKZZQY-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286364060 427504602 /nfs/dbraw/zinc/50/46/02/427504602.db2.gz GAIGWLOAPXFIKH-NWDGAFQWSA-N 1 1 318.295 2.588 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286364060 427504614 /nfs/dbraw/zinc/50/46/14/427504614.db2.gz GAIGWLOAPXFIKH-NWDGAFQWSA-N 1 1 318.295 2.588 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC000192236014 427508691 /nfs/dbraw/zinc/50/86/91/427508691.db2.gz REPKDPIHOYXVGR-UHFFFAOYSA-N 1 1 303.366 2.665 20 5 DFBDMO C[C@@]12CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000298206839 427533770 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DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000341261447 428031719 /nfs/dbraw/zinc/03/17/19/428031719.db2.gz PKXVCVYJQVZNMK-AWEZNQCLSA-N 1 1 324.384 3.305 20 5 DFBDMO C[C@H]1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC[N@H+]1C ZINC000351210413 428037294 /nfs/dbraw/zinc/03/72/94/428037294.db2.gz AWBLQTXRZQKNSW-IUCAKERBSA-N 1 1 308.363 2.904 20 5 DFBDMO C[N@H+]1CCC[C@@H](CCNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000413443119 428049736 /nfs/dbraw/zinc/04/97/36/428049736.db2.gz RCWQDUQDJWGXHN-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DFBDMO C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413475979 428055703 /nfs/dbraw/zinc/05/57/03/428055703.db2.gz DHIBOVIJIGXLQD-FRRDWIJNSA-N 1 1 317.389 2.745 20 5 DFBDMO COCC[N@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000359886098 428061286 /nfs/dbraw/zinc/06/12/86/428061286.db2.gz YUFGJOJSOPFAMO-LBPRGKRZSA-N 1 1 311.357 2.565 20 5 DFBDMO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000369604769 428011464 /nfs/dbraw/zinc/01/14/64/428011464.db2.gz ZCOKDJOHXBVNRZ-OWCLPIDISA-N 1 1 320.389 2.660 20 5 DFBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000369604769 428011466 /nfs/dbraw/zinc/01/14/66/428011466.db2.gz ZCOKDJOHXBVNRZ-OWCLPIDISA-N 1 1 320.389 2.660 20 5 DFBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])cc1F ZINC000413297786 428014278 /nfs/dbraw/zinc/01/42/78/428014278.db2.gz RRLYLJZZESZWPI-UHFFFAOYSA-N 1 1 322.340 2.680 20 5 DFBDMO COCC[N@H+]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000359886097 428061497 /nfs/dbraw/zinc/06/14/97/428061497.db2.gz YUFGJOJSOPFAMO-GFCCVEGCSA-N 1 1 311.357 2.565 20 5 DFBDMO Cc1cc(-c2noc([C@@H]3C[N@H+](C)C[C@@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000351143909 428020442 /nfs/dbraw/zinc/02/04/42/428020442.db2.gz HINHKGPNLAUVTK-GXFFZTMASA-N 1 1 302.334 2.618 20 5 DFBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000369936727 428093851 /nfs/dbraw/zinc/09/38/51/428093851.db2.gz MVWVCDGCTIZLIJ-CABCVRRESA-N 1 1 317.389 2.514 20 5 DFBDMO Cc1ccc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)s1 ZINC000369996450 428106371 /nfs/dbraw/zinc/10/63/71/428106371.db2.gz MAKQCFQSOYIPHF-ZDUSSCGKSA-N 1 1 306.391 2.998 20 5 DFBDMO Cc1cccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000377358481 428112318 /nfs/dbraw/zinc/11/23/18/428112318.db2.gz HDGQHKCDSJCWOF-CABCVRRESA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377426555 428126853 /nfs/dbraw/zinc/12/68/53/428126853.db2.gz QABAJBUMLJOPSE-OLZOCXBDSA-N 1 1 318.377 2.652 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352541284 428143038 /nfs/dbraw/zinc/14/30/38/428143038.db2.gz VZJBBJODJSWXPC-UONOGXRCSA-N 1 1 306.362 2.604 20 5 DFBDMO CCCN(CCC)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571004 428155496 /nfs/dbraw/zinc/15/54/96/428155496.db2.gz ORJBHGWJIZEKIX-UHFFFAOYSA-N 1 1 321.421 2.718 20 5 DFBDMO CCCN(CCC)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571004 428155498 /nfs/dbraw/zinc/15/54/98/428155498.db2.gz ORJBHGWJIZEKIX-UHFFFAOYSA-N 1 1 321.421 2.718 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000360148889 428180128 /nfs/dbraw/zinc/18/01/28/428180128.db2.gz OORWJTZBKIJVOO-GFCCVEGCSA-N 1 1 321.377 2.525 20 5 DFBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[C@H]1O ZINC000352691356 428207266 /nfs/dbraw/zinc/20/72/66/428207266.db2.gz GJVMLMFKKUHPJN-LSDHHAIUSA-N 1 1 317.345 2.595 20 5 DFBDMO C[N@H+]1CCCC[C@H]1CCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707544 428214774 /nfs/dbraw/zinc/21/47/74/428214774.db2.gz SMSFNENTIWGBMG-HNNXBMFYSA-N 1 1 319.405 2.664 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341766029 428187693 /nfs/dbraw/zinc/18/76/93/428187693.db2.gz FAOXSOWQWNURGP-IUODEOHRSA-N 1 1 305.378 2.646 20 5 DFBDMO CCOc1cc(CN2CC[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352660885 428188253 /nfs/dbraw/zinc/18/82/53/428188253.db2.gz PVTTWZHLSNWAJZ-ZDUSSCGKSA-N 1 1 307.394 2.520 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000352676540 428197792 /nfs/dbraw/zinc/19/77/92/428197792.db2.gz UHYVWRSOUPIOFF-DLFLCNGJSA-N 1 1 306.337 2.589 20 5 DFBDMO O=[N+]([O-])c1c(N[C@H]2CCc3[nH+]c[nH]c3C2)ccc2ncccc21 ZINC000370684231 428272673 /nfs/dbraw/zinc/27/26/73/428272673.db2.gz YJLQEHNURMMXBL-JTQLQIEISA-N 1 1 309.329 2.836 20 5 DFBDMO O=[N+]([O-])c1c(N[C@H]2CCc3[nH]c[nH+]c3C2)ccc2ncccc21 ZINC000370684231 428272679 /nfs/dbraw/zinc/27/26/79/428272679.db2.gz YJLQEHNURMMXBL-JTQLQIEISA-N 1 1 309.329 2.836 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000341999834 428273991 /nfs/dbraw/zinc/27/39/91/428273991.db2.gz YLAPKVCPWAEVGC-MRXNPFEDSA-N 1 1 306.362 2.606 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000370711171 428281249 /nfs/dbraw/zinc/28/12/49/428281249.db2.gz OEKZPQTYCKRTMD-WMLDXEAASA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000370711171 428281251 /nfs/dbraw/zinc/28/12/51/428281251.db2.gz OEKZPQTYCKRTMD-WMLDXEAASA-N 1 1 320.389 2.673 20 5 DFBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000352881004 428292415 /nfs/dbraw/zinc/29/24/15/428292415.db2.gz YWRRPASJLZZLJG-LSDHHAIUSA-N 1 1 322.405 2.989 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352780026 428246439 /nfs/dbraw/zinc/24/64/39/428246439.db2.gz RCHPITXEWHUOQP-QWHCGFSZSA-N 1 1 307.394 2.518 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCn2ccnc2C1 ZINC000377858898 428248225 /nfs/dbraw/zinc/24/82/25/428248225.db2.gz CWHDUAHWNHCKFD-CQSZACIVSA-N 1 1 314.389 2.794 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000370603360 428250300 /nfs/dbraw/zinc/25/03/00/428250300.db2.gz ULOMIGSBKQUJCM-CYBMUJFWSA-N 1 1 302.334 2.534 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000370603360 428250304 /nfs/dbraw/zinc/25/03/04/428250304.db2.gz ULOMIGSBKQUJCM-CYBMUJFWSA-N 1 1 302.334 2.534 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000370879741 428312390 /nfs/dbraw/zinc/31/23/90/428312390.db2.gz YCBQEKJVNCQLAQ-UONOGXRCSA-N 1 1 311.332 2.936 20 5 DFBDMO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000370990977 428337625 /nfs/dbraw/zinc/33/76/25/428337625.db2.gz HDZQXELDIGARCS-JKSUJKDBSA-N 1 1 317.345 2.762 20 5 DFBDMO Cc1cc([C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000370990977 428337630 /nfs/dbraw/zinc/33/76/30/428337630.db2.gz HDZQXELDIGARCS-JKSUJKDBSA-N 1 1 317.345 2.762 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000353000583 428345637 /nfs/dbraw/zinc/34/56/37/428345637.db2.gz ZJQIUTPBCNESQE-DOMZBBRYSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000353000583 428345644 /nfs/dbraw/zinc/34/56/44/428345644.db2.gz ZJQIUTPBCNESQE-DOMZBBRYSA-N 1 1 310.369 2.963 20 5 DFBDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000360658001 428388029 /nfs/dbraw/zinc/38/80/29/428388029.db2.gz PYAVFLVHWMIHGZ-AWEZNQCLSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000360658001 428388034 /nfs/dbraw/zinc/38/80/34/428388034.db2.gz PYAVFLVHWMIHGZ-AWEZNQCLSA-N 1 1 300.362 2.974 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353129316 428398241 /nfs/dbraw/zinc/39/82/41/428398241.db2.gz UKMMDVLXNWCUTJ-AWEZNQCLSA-N 1 1 307.394 2.567 20 5 DFBDMO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353129316 428398247 /nfs/dbraw/zinc/39/82/47/428398247.db2.gz UKMMDVLXNWCUTJ-AWEZNQCLSA-N 1 1 307.394 2.567 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000414866147 428437411 /nfs/dbraw/zinc/43/74/11/428437411.db2.gz MFKVBBROYQHTQN-NUEKZKHPSA-N 1 1 303.406 2.648 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000414925791 428458788 /nfs/dbraw/zinc/45/87/88/428458788.db2.gz MFKVBBROYQHTQN-BMFZPTHFSA-N 1 1 303.406 2.648 20 5 DFBDMO CCN[C@H](C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414950641 428469331 /nfs/dbraw/zinc/46/93/31/428469331.db2.gz GFHJECWGDADACB-FMKPAKJESA-N 1 1 305.422 2.894 20 5 DFBDMO CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414950641 428469336 /nfs/dbraw/zinc/46/93/36/428469336.db2.gz GFHJECWGDADACB-FMKPAKJESA-N 1 1 305.422 2.894 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000360900799 428483493 /nfs/dbraw/zinc/48/34/93/428483493.db2.gz AKKXSWLJNNKDBA-CYBMUJFWSA-N 1 1 309.414 2.796 20 5 DFBDMO CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000393281995 428484227 /nfs/dbraw/zinc/48/42/27/428484227.db2.gz YECOMPFCNUWPRU-SECBINFHSA-N 1 1 314.183 2.863 20 5 DFBDMO CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000393281995 428484230 /nfs/dbraw/zinc/48/42/30/428484230.db2.gz YECOMPFCNUWPRU-SECBINFHSA-N 1 1 314.183 2.863 20 5 DFBDMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353341235 428493129 /nfs/dbraw/zinc/49/31/29/428493129.db2.gz BXLZWYCMMJFBSD-SGMGOOAPSA-N 1 1 305.378 2.502 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415037679 428494754 /nfs/dbraw/zinc/49/47/54/428494754.db2.gz HCLOIWQHWHVHFS-WMLDXEAASA-N 1 1 303.406 2.867 20 5 DFBDMO C[C@@H](CO)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000347230637 428502551 /nfs/dbraw/zinc/50/25/51/428502551.db2.gz OGSUTLHZMRTCAO-ZDUSSCGKSA-N 1 1 308.378 2.599 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000360959106 428510680 /nfs/dbraw/zinc/51/06/80/428510680.db2.gz FIMQDUJFSBLDMB-NWDGAFQWSA-N 1 1 309.414 2.794 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000347169561 428479007 /nfs/dbraw/zinc/47/90/07/428479007.db2.gz OKWNYKCPQWVTEF-LBPRGKRZSA-N 1 1 308.378 2.729 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000373466606 428583696 /nfs/dbraw/zinc/58/36/96/428583696.db2.gz DENUDDUPJYPTCB-DLBZAZTESA-N 1 1 320.389 2.755 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000373466606 428583700 /nfs/dbraw/zinc/58/37/00/428583700.db2.gz DENUDDUPJYPTCB-DLBZAZTESA-N 1 1 320.389 2.755 20 5 DFBDMO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000343885473 428594020 /nfs/dbraw/zinc/59/40/20/428594020.db2.gz VQLNQHFMRKNPCX-GJZGRUSLSA-N 1 1 322.405 2.954 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347366615 428564182 /nfs/dbraw/zinc/56/41/82/428564182.db2.gz ZZCPBFOIEVSNQW-OAHLLOKOSA-N 1 1 309.341 2.666 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cncnc2C1 ZINC000347375067 428566399 /nfs/dbraw/zinc/56/63/99/428566399.db2.gz YZHHFZBQUNMTFT-QPEQYQDCSA-N 1 1 310.357 2.846 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2cncnc2C1 ZINC000347375067 428566404 /nfs/dbraw/zinc/56/64/04/428566404.db2.gz YZHHFZBQUNMTFT-QPEQYQDCSA-N 1 1 310.357 2.846 20 5 DFBDMO CCC(=O)c1ccc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000373530162 428598138 /nfs/dbraw/zinc/59/81/38/428598138.db2.gz OTWVLFBUOVCAHM-JSGCOSHPSA-N 1 1 317.389 2.860 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347578503 428610161 /nfs/dbraw/zinc/61/01/61/428610161.db2.gz ICSVFLRITAPLGK-JHJVBQTASA-N 1 1 305.378 2.900 20 5 DFBDMO CCC(CC)[N@@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344031128 428611527 /nfs/dbraw/zinc/61/15/27/428611527.db2.gz PHDHYYFIKONJTH-UHFFFAOYSA-N 1 1 319.405 2.994 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344030461 428611725 /nfs/dbraw/zinc/61/17/25/428611725.db2.gz BQPZXGRRXHEEAE-UONOGXRCSA-N 1 1 322.405 2.703 20 5 DFBDMO Cn1c2cc(F)ccc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000362083011 428616435 /nfs/dbraw/zinc/61/64/35/428616435.db2.gz 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307.394 2.518 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423398993 429081897 /nfs/dbraw/zinc/08/18/97/429081897.db2.gz UMHVZHLXXHMYHI-YUTCNCBUSA-N 1 1 307.394 2.914 20 5 DFBDMO Cn1nccc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487197439 429142996 /nfs/dbraw/zinc/14/29/96/429142996.db2.gz DZRDUXKFHUTGAO-UHFFFAOYSA-N 1 1 314.267 2.637 20 5 DFBDMO COc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000363957271 429147512 /nfs/dbraw/zinc/14/75/12/429147512.db2.gz FADRCJSWMNXBQC-QWRGUYRKSA-N 1 1 309.341 2.781 20 5 DFBDMO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1CCCn2cc[nH+]c21 ZINC000376409501 429108229 /nfs/dbraw/zinc/10/82/29/429108229.db2.gz NNEXOIIXWRLPRT-ZDUSSCGKSA-N 1 1 323.356 3.329 20 5 DFBDMO COC[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000434783186 429111828 /nfs/dbraw/zinc/11/18/28/429111828.db2.gz KQPOEMGEBKLLDA-OCCSQVGLSA-N 1 1 314.769 2.532 20 5 DFBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000434794714 429112218 /nfs/dbraw/zinc/11/22/18/429112218.db2.gz NQNASJQPBXLLJH-HNNXBMFYSA-N 1 1 307.369 2.840 20 5 DFBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000434794714 429112221 /nfs/dbraw/zinc/11/22/21/429112221.db2.gz NQNASJQPBXLLJH-HNNXBMFYSA-N 1 1 307.369 2.840 20 5 DFBDMO CC(C)[N@H+]1CCCC[C@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000413004721 429121432 /nfs/dbraw/zinc/12/14/32/429121432.db2.gz XQVIMKGSINPQKO-LBPRGKRZSA-N 1 1 313.785 2.673 20 5 DFBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000413052752 429127649 /nfs/dbraw/zinc/12/76/49/429127649.db2.gz YYBCQQOIMVJEPV-UHFFFAOYSA-N 1 1 316.336 2.599 20 5 DFBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000413052752 429127653 /nfs/dbraw/zinc/12/76/53/429127653.db2.gz YYBCQQOIMVJEPV-UHFFFAOYSA-N 1 1 316.336 2.599 20 5 DFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000413064023 429131018 /nfs/dbraw/zinc/13/10/18/429131018.db2.gz ACUZBMHJSVQQAH-MRVPVSSYSA-N 1 1 316.283 2.657 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363877812 429131929 /nfs/dbraw/zinc/13/19/29/429131929.db2.gz XAAMUSYEXZKEFM-CQSZACIVSA-N 1 1 314.389 2.701 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000363868045 429132199 /nfs/dbraw/zinc/13/21/99/429132199.db2.gz MPSMMQOUWJMPTR-DLBZAZTESA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C ZINC000363868045 429132203 /nfs/dbraw/zinc/13/22/03/429132203.db2.gz MPSMMQOUWJMPTR-DLBZAZTESA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C ZINC000363868045 429132207 /nfs/dbraw/zinc/13/22/07/429132207.db2.gz MPSMMQOUWJMPTR-DLBZAZTESA-N 1 1 303.406 2.962 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000494688797 429141653 /nfs/dbraw/zinc/14/16/53/429141653.db2.gz ILUVONBSERSDMK-HNNXBMFYSA-N 1 1 320.389 2.994 20 5 DFBDMO O=C1[C@H]([N@H+]2C[C@H]3CCCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368685225 275030598 /nfs/dbraw/zinc/03/05/98/275030598.db2.gz ZLLFDVATHNVYAI-DAXOMENPSA-N 1 1 315.373 2.575 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c(F)c1 ZINC000301808239 275033687 /nfs/dbraw/zinc/03/36/87/275033687.db2.gz WWLFLKXTGHCQIB-ITDIGPHOSA-N 1 1 323.343 2.794 20 5 DFBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488745551 429196131 /nfs/dbraw/zinc/19/61/31/429196131.db2.gz LIRHVKLOANRROG-LALPHHSUSA-N 1 1 307.369 2.900 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000364357594 429189794 /nfs/dbraw/zinc/18/97/94/429189794.db2.gz HPVKSSZWGAYZLD-GFCCVEGCSA-N 1 1 316.336 2.904 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000364357594 429189799 /nfs/dbraw/zinc/18/97/99/429189799.db2.gz HPVKSSZWGAYZLD-GFCCVEGCSA-N 1 1 316.336 2.904 20 5 DFBDMO CC[C@@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000495227760 429191118 /nfs/dbraw/zinc/19/11/18/429191118.db2.gz YVYALKBHIFPLRB-MRXNPFEDSA-N 1 1 308.378 2.729 20 5 DFBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCO[C@@H]1C ZINC000489457806 429244632 /nfs/dbraw/zinc/24/46/32/429244632.db2.gz AFZKGGPIKDDUBI-CJNGLKHVSA-N 1 1 308.378 2.529 20 5 DFBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCc2nccn2C1 ZINC000364671284 429246794 /nfs/dbraw/zinc/24/67/94/429246794.db2.gz KVSMQRVLWJJDNQ-LBPRGKRZSA-N 1 1 318.352 2.625 20 5 DFBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC1(C)C ZINC000489482797 429247085 /nfs/dbraw/zinc/24/70/85/429247085.db2.gz RWQUZZYOJOATFC-GFCCVEGCSA-N 1 1 302.334 2.875 20 5 DFBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC1(C)C ZINC000489482797 429247089 /nfs/dbraw/zinc/24/70/89/429247089.db2.gz RWQUZZYOJOATFC-GFCCVEGCSA-N 1 1 302.334 2.875 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c4ncccc34)[C@@H]2C1 ZINC000425283762 429257714 /nfs/dbraw/zinc/25/77/14/429257714.db2.gz MSFVGHHESCKMGO-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425354828 429273378 /nfs/dbraw/zinc/27/33/78/429273378.db2.gz STNWCPDFIWWCDO-YFCVBGDOSA-N 1 1 313.361 2.537 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000449077706 429324688 /nfs/dbraw/zinc/32/46/88/429324688.db2.gz SQGPRJCBRZJKSZ-KGLIPLIRSA-N 1 1 303.406 2.600 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457071782 429391357 /nfs/dbraw/zinc/39/13/57/429391357.db2.gz ILDILCZSORZLTL-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1cc(C(=O)NCC[N@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457074191 429393046 /nfs/dbraw/zinc/39/30/46/429393046.db2.gz LPBCBHLXLKJIIN-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426454026 429393351 /nfs/dbraw/zinc/39/33/51/429393351.db2.gz LOKZKVTUDHWHSO-QWHCGFSZSA-N 1 1 303.362 2.716 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000365894394 429397333 /nfs/dbraw/zinc/39/73/33/429397333.db2.gz SFWJOVLGUVTYNF-KGLIPLIRSA-N 1 1 304.394 2.751 20 5 DFBDMO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457112351 429404991 /nfs/dbraw/zinc/40/49/91/429404991.db2.gz JDEOWFZSCZWSSE-OAHLLOKOSA-N 1 1 319.405 2.712 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CO)[C@@H]1CC ZINC000449421318 429411285 /nfs/dbraw/zinc/41/12/85/429411285.db2.gz LHIOBRJFLLFLSR-DOMZBBRYSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449525169 429443640 /nfs/dbraw/zinc/44/36/40/429443640.db2.gz BDIHTZQJTOEOPI-CQSZACIVSA-N 1 1 308.403 2.931 20 5 DFBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000427411605 429449897 /nfs/dbraw/zinc/44/98/97/429449897.db2.gz GYGIKXWNUYCUDX-UHFFFAOYSA-N 1 1 303.309 2.948 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000457193313 429424105 /nfs/dbraw/zinc/42/41/05/429424105.db2.gz CXPHKAUGQMYPOF-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000366860106 429528322 /nfs/dbraw/zinc/52/83/22/429528322.db2.gz YOCZGVPMFQTARE-ZDUSSCGKSA-N 1 1 308.353 2.982 20 5 DFBDMO C[C@@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@H+]1C1CC1 ZINC000519613321 429471649 /nfs/dbraw/zinc/47/16/49/429471649.db2.gz NLZBYLORHNYZFG-YPMHNXCESA-N 1 1 312.373 3.180 20 5 DFBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000449701590 429485088 /nfs/dbraw/zinc/48/50/88/429485088.db2.gz QVUVCXZURLXTOE-QGZVFWFLSA-N 1 1 322.405 2.549 20 5 DFBDMO COc1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000429251187 429590145 /nfs/dbraw/zinc/59/01/45/429590145.db2.gz CAOPQQGJEOHXRT-OAHLLOKOSA-N 1 1 320.389 2.852 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2cnccn2)CC1 ZINC000366910601 429538727 /nfs/dbraw/zinc/53/87/27/429538727.db2.gz BZFXEEVMGOQHTA-UHFFFAOYSA-N 1 1 316.336 2.904 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000429774193 429632346 /nfs/dbraw/zinc/63/23/46/429632346.db2.gz MEGYOJYIZVPMEH-JSGCOSHPSA-N 1 1 308.378 2.586 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429263793 429593024 /nfs/dbraw/zinc/59/30/24/429593024.db2.gz ADLWQTIMHYBSDF-ZDUSSCGKSA-N 1 1 308.353 2.982 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429263793 429593029 /nfs/dbraw/zinc/59/30/29/429593029.db2.gz ADLWQTIMHYBSDF-ZDUSSCGKSA-N 1 1 308.353 2.982 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450597535 429656999 /nfs/dbraw/zinc/65/69/99/429656999.db2.gz PBZFPDSPIYCPGQ-GFCCVEGCSA-N 1 1 313.785 2.507 20 5 DFBDMO CCOc1cccc(N2CC[N@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000273125807 276381461 /nfs/dbraw/zinc/38/14/61/276381461.db2.gz ANQKIGGWVZONFB-ZDUSSCGKSA-N 1 1 305.378 2.668 20 5 DFBDMO CCOc1cccc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487086985 429765534 /nfs/dbraw/zinc/76/55/34/429765534.db2.gz OQKJLKQYYNLUJS-AWEZNQCLSA-N 1 1 307.394 2.770 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000451193041 429784208 /nfs/dbraw/zinc/78/42/08/429784208.db2.gz XBDUZGGDNNYPRD-UHFFFAOYSA-N 1 1 314.345 2.617 20 5 DFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432349295 429816807 /nfs/dbraw/zinc/81/68/07/429816807.db2.gz UYOBXDDXENUDDK-VXGBXAGGSA-N 1 1 300.362 2.672 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000451415258 429827004 /nfs/dbraw/zinc/82/70/04/429827004.db2.gz FNSQPUCKWDJPME-LZWOXQAQSA-N 1 1 320.389 2.729 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000368564951 429868755 /nfs/dbraw/zinc/86/87/55/429868755.db2.gz YECRJOOTZVKOEN-VXGBXAGGSA-N 1 1 310.785 2.706 20 5 DFBDMO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545961 429849680 /nfs/dbraw/zinc/84/96/80/429849680.db2.gz IGJFWOPXUDMUMB-ZBFHGGJFSA-N 1 1 318.373 2.726 20 5 DFBDMO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545961 429849684 /nfs/dbraw/zinc/84/96/84/429849684.db2.gz IGJFWOPXUDMUMB-ZBFHGGJFSA-N 1 1 318.373 2.726 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451552857 429852299 /nfs/dbraw/zinc/85/22/99/429852299.db2.gz ZEOQDASIIOMTIE-UKRRQHHQSA-N 1 1 308.378 2.721 20 5 DFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCn3cccn3)C2)cc1 ZINC000451549656 429852485 /nfs/dbraw/zinc/85/24/85/429852485.db2.gz PYEDHQUSLXXNGM-HNNXBMFYSA-N 1 1 300.362 2.671 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000451555075 429853709 /nfs/dbraw/zinc/85/37/09/429853709.db2.gz BAJZBOKNIQERQS-QMTHXVAHSA-N 1 1 312.341 2.599 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000451555075 429853712 /nfs/dbraw/zinc/85/37/12/429853712.db2.gz BAJZBOKNIQERQS-QMTHXVAHSA-N 1 1 312.341 2.599 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000368481703 429854811 /nfs/dbraw/zinc/85/48/11/429854811.db2.gz IDKIYSXCQYBJDU-ABAIWWIYSA-N 1 1 309.797 2.774 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000368557581 429866967 /nfs/dbraw/zinc/86/69/67/429866967.db2.gz PNMDCALKKLLGPJ-NNQSOWQGSA-N 1 1 317.389 2.859 20 5 DFBDMO C[C@@H]1[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000368217901 429810412 /nfs/dbraw/zinc/81/04/12/429810412.db2.gz BIPSYJZPSJTBSG-AWEZNQCLSA-N 1 1 320.389 2.865 20 5 DFBDMO COC[C@@H]1CCCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368760977 429892324 /nfs/dbraw/zinc/89/23/24/429892324.db2.gz INIAVARWBHVHON-CQSZACIVSA-N 1 1 308.378 2.722 20 5 DFBDMO O=c1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c2c(ccc3ccccc32)o1 ZINC000368800298 429894862 /nfs/dbraw/zinc/89/48/62/429894862.db2.gz MZUXKLTVOFIWNX-KRWDZBQOSA-N 1 1 321.376 2.903 20 5 DFBDMO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000369275594 429922434 /nfs/dbraw/zinc/92/24/34/429922434.db2.gz XYHARUYSWXCMKQ-OAHLLOKOSA-N 1 1 317.389 2.572 20 5 DFBDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000369275594 429922435 /nfs/dbraw/zinc/92/24/35/429922435.db2.gz XYHARUYSWXCMKQ-OAHLLOKOSA-N 1 1 317.389 2.572 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000573087125 429925145 /nfs/dbraw/zinc/92/51/45/429925145.db2.gz TYGXQRHFMYSYJB-LBPRGKRZSA-N 1 1 316.405 2.765 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1 ZINC000451695888 429872593 /nfs/dbraw/zinc/87/25/93/429872593.db2.gz AKUVFULAUGVODG-INMHGKMJSA-N 1 1 304.390 2.620 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451709987 429876275 /nfs/dbraw/zinc/87/62/75/429876275.db2.gz OWXSIWJPEXAVTL-UPJWGTAASA-N 1 1 308.353 2.717 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000558492636 429974841 /nfs/dbraw/zinc/97/48/41/429974841.db2.gz DNBILEOQOFFCQZ-VDBIKXPHSA-N 1 1 312.373 2.868 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000558658686 429983401 /nfs/dbraw/zinc/98/34/01/429983401.db2.gz NXZWWVNCCMWCOA-AWEZNQCLSA-N 1 1 321.421 2.813 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000369458794 429950038 /nfs/dbraw/zinc/95/00/38/429950038.db2.gz RNHPLZNXLCOOHT-HZPDHXFCSA-N 1 1 306.362 2.617 20 5 DFBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000559978898 430017977 /nfs/dbraw/zinc/01/79/77/430017977.db2.gz ALUPKIOYYLFSGV-CQSZACIVSA-N 1 1 302.378 2.663 20 5 DFBDMO CCC(CC)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000561769216 430100018 /nfs/dbraw/zinc/10/00/18/430100018.db2.gz LRQJPICZYMWYJU-OAHLLOKOSA-N 1 1 322.405 2.988 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562216952 430112348 /nfs/dbraw/zinc/11/23/48/430112348.db2.gz AEOWGZCCOQQVPR-KGLIPLIRSA-N 1 1 321.421 2.935 20 5 DFBDMO CC(=O)c1cc(NC[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000561159393 430078940 /nfs/dbraw/zinc/07/89/40/430078940.db2.gz SQRWWNUYRSDVIA-CYBMUJFWSA-N 1 1 305.378 2.940 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)[C@@H]2C1 ZINC000376484443 277178279 /nfs/dbraw/zinc/17/82/79/277178279.db2.gz NEVOHOHBELWMAW-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@H]2C1 ZINC000364986223 277178349 /nfs/dbraw/zinc/17/83/49/277178349.db2.gz KNOYKPPIXJRLAB-SJCJKPOMSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269618449 277182993 /nfs/dbraw/zinc/18/29/93/277182993.db2.gz HJTHXBLHPTZAEL-YGRLFVJLSA-N 1 1 311.332 2.794 20 5 DFBDMO CN(C(=O)C[N@H+]1CC[C@@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000542317936 430207530 /nfs/dbraw/zinc/20/75/30/430207530.db2.gz JERGIDAGPOWBAF-CYBMUJFWSA-N 1 1 319.405 2.926 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000544189065 430276534 /nfs/dbraw/zinc/27/65/34/430276534.db2.gz CHCQOOLSVMSDHV-GFCCVEGCSA-N 1 1 305.378 2.901 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000582782186 430334151 /nfs/dbraw/zinc/33/41/51/430334151.db2.gz PBVACNPDNJKCMJ-LBPRGKRZSA-N 1 1 304.394 2.622 20 5 DFBDMO C[N@@H+](CCC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000547732589 430416126 /nfs/dbraw/zinc/41/61/26/430416126.db2.gz FHKUKUUJZKIZNF-UHFFFAOYSA-N 1 1 319.405 2.866 20 5 DFBDMO CCO[C@H]1C[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583973566 430446240 /nfs/dbraw/zinc/44/62/40/430446240.db2.gz SBOBNXDXSLSKKT-KBPBESRZSA-N 1 1 319.386 2.985 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584106129 430459344 /nfs/dbraw/zinc/45/93/44/430459344.db2.gz PWABLPHEFLUPCC-STQMWFEESA-N 1 1 307.394 2.543 20 5 DFBDMO CC[N@H+]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000570031059 430506377 /nfs/dbraw/zinc/50/63/77/430506377.db2.gz AGIRUIWOQRJTGA-GFCCVEGCSA-N 1 1 321.377 2.586 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000596309827 430513073 /nfs/dbraw/zinc/51/30/73/430513073.db2.gz XQCNWSDBIYPCQH-CQSZACIVSA-N 1 1 314.389 3.428 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000555534053 430669499 /nfs/dbraw/zinc/66/94/99/430669499.db2.gz NPIQMTDHZKAIQB-UHFFFAOYSA-N 1 1 319.405 2.686 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000555534053 430669500 /nfs/dbraw/zinc/66/95/00/430669500.db2.gz NPIQMTDHZKAIQB-UHFFFAOYSA-N 1 1 319.405 2.686 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000331593813 278031659 /nfs/dbraw/zinc/03/16/59/278031659.db2.gz YESQJILVRIOHPN-CYBMUJFWSA-N 1 1 317.389 2.685 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266864642 278313471 /nfs/dbraw/zinc/31/34/71/278313471.db2.gz MDLNDMOKMKEWFD-SKDRFNHKSA-N 1 1 304.268 2.655 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266864642 278313472 /nfs/dbraw/zinc/31/34/72/278313472.db2.gz MDLNDMOKMKEWFD-SKDRFNHKSA-N 1 1 304.268 2.655 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000272502269 281021828 /nfs/dbraw/zinc/02/18/28/281021828.db2.gz NYTNJVIAGGWGNW-ZFWWWQNUSA-N 1 1 317.389 2.661 20 5 DFBDMO Cc1cccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000364099500 281230525 /nfs/dbraw/zinc/23/05/25/281230525.db2.gz VCQPVKOTPPOLMY-SOUVJXGZSA-N 1 1 301.390 2.824 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301561290 288314053 /nfs/dbraw/zinc/31/40/53/288314053.db2.gz IMVIKHMPGLXERZ-WCQYABFASA-N 1 1 320.349 2.566 20 5 DFBDMO Cc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000153081367 281459999 /nfs/dbraw/zinc/45/99/99/281459999.db2.gz OBOCVSWZWIMDQD-UHFFFAOYSA-N 1 1 316.336 2.764 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361515967 289068661 /nfs/dbraw/zinc/06/86/61/289068661.db2.gz MYPOYZQPEPDVLX-CABCVRRESA-N 1 1 318.377 2.685 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000156384095 295335485 /nfs/dbraw/zinc/33/54/85/295335485.db2.gz OMOIMLRWAPRLAP-KRWDZBQOSA-N 1 1 313.357 2.686 20 5 DFBDMO CC(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438488684 297095271 /nfs/dbraw/zinc/09/52/71/297095271.db2.gz HRQHDBOYRMUTIO-STQMWFEESA-N 1 1 305.378 2.900 20 5 DFBDMO Cc1c(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cccc1[N+](=O)[O-] ZINC000440633258 297159837 /nfs/dbraw/zinc/15/98/37/297159837.db2.gz DZZZYNJZOOLPHI-UHFFFAOYSA-N 1 1 314.267 2.935 20 5 DFBDMO C[N@@H+](CCC1CCOCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444655802 297243755 /nfs/dbraw/zinc/24/37/55/297243755.db2.gz YICBMMCRPJTZOK-UHFFFAOYSA-N 1 1 318.377 2.720 20 5 DFBDMO CCC[C@@]1(CO)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000444768577 297249780 /nfs/dbraw/zinc/24/97/80/297249780.db2.gz UVSBMMPKHGKRMO-INIZCTEOSA-N 1 1 308.378 2.601 20 5 DFBDMO COCC[N@@H+](C)CCCNc1c(C)cc([N+](=O)[O-])cc1Cl ZINC000444834803 297253417 /nfs/dbraw/zinc/25/34/17/297253417.db2.gz LWEHKNIHRSEYOQ-UHFFFAOYSA-N 1 1 315.801 2.937 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000446021918 297273867 /nfs/dbraw/zinc/27/38/67/297273867.db2.gz SBHOGPHAVQFUCO-UHFFFAOYSA-N 1 1 319.405 2.898 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000447834008 297319547 /nfs/dbraw/zinc/31/95/47/297319547.db2.gz VLNZJVGFWKYOAO-HOCLYGCPSA-N 1 1 322.405 2.989 20 5 DFBDMO COc1ccc(CNC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447895067 297324318 /nfs/dbraw/zinc/32/43/18/297324318.db2.gz AFRSFUXTIIQWJC-MRXNPFEDSA-N 1 1 321.421 2.813 20 5 DFBDMO COc1ccc(CNC[C@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447895067 297324320 /nfs/dbraw/zinc/32/43/20/297324320.db2.gz AFRSFUXTIIQWJC-MRXNPFEDSA-N 1 1 321.421 2.813 20 5 DFBDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000453626116 298106987 /nfs/dbraw/zinc/10/69/87/298106987.db2.gz SAEWRXFFFNEKJD-UHFFFAOYSA-N 1 1 302.378 2.987 20 5 DFBDMO Cc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000454205121 298135933 /nfs/dbraw/zinc/13/59/33/298135933.db2.gz SSEGGTYFFGGEMK-UHFFFAOYSA-N 1 1 320.393 2.899 20 5 DFBDMO CCC[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000499643581 300202981 /nfs/dbraw/zinc/20/29/81/300202981.db2.gz ZWZWSXFBZFLDMP-HNNXBMFYSA-N 1 1 321.421 2.840 20 5 DFBDMO CCC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000530475010 301050379 /nfs/dbraw/zinc/05/03/79/301050379.db2.gz CSFGPEYMJKDBTB-LBPRGKRZSA-N 1 1 305.378 2.941 20 5 DFBDMO COC(C)(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000533023355 301182494 /nfs/dbraw/zinc/18/24/94/301182494.db2.gz IXQBGADXUNHDMK-LBPRGKRZSA-N 1 1 323.393 2.587 20 5 DFBDMO COC(C)(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000533023354 301182602 /nfs/dbraw/zinc/18/26/02/301182602.db2.gz IXQBGADXUNHDMK-GFCCVEGCSA-N 1 1 323.393 2.587 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000533290761 301194750 /nfs/dbraw/zinc/19/47/50/301194750.db2.gz JCDRPAXJJLJLTP-UTUOFQBUSA-N 1 1 323.418 2.748 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533295424 301194827 /nfs/dbraw/zinc/19/48/27/301194827.db2.gz ZHKRNPNMEZFUKS-WDEREUQCSA-N 1 1 302.334 2.875 20 5 DFBDMO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CC1 ZINC000533495214 301203797 /nfs/dbraw/zinc/20/37/97/301203797.db2.gz DOOUCGSQAQCPSM-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000538123368 301316678 /nfs/dbraw/zinc/31/66/78/301316678.db2.gz NHRGZZZESMZQFP-LBPRGKRZSA-N 1 1 318.377 2.966 20 5 DFBDMO C[N@@H+]1CCO[C@@H](CSc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000565301215 302216798 /nfs/dbraw/zinc/21/67/98/302216798.db2.gz GZFYOMHGMHSYDR-LLVKDONJSA-N 1 1 319.386 2.566 20 5 DFBDMO C[N@H+]1CCO[C@@H](CSc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000565301215 302216799 /nfs/dbraw/zinc/21/67/99/302216799.db2.gz GZFYOMHGMHSYDR-LLVKDONJSA-N 1 1 319.386 2.566 20 5 DFBDMO C[N@@H+]1CCO[C@H](CSc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000565301216 302216882 /nfs/dbraw/zinc/21/68/82/302216882.db2.gz GZFYOMHGMHSYDR-NSHDSACASA-N 1 1 319.386 2.566 20 5 DFBDMO C[N@H+]1CCO[C@H](CSc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000565301216 302216884 /nfs/dbraw/zinc/21/68/84/302216884.db2.gz GZFYOMHGMHSYDR-NSHDSACASA-N 1 1 319.386 2.566 20 5 DFBDMO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000566184236 302266335 /nfs/dbraw/zinc/26/63/35/302266335.db2.gz IRKLEMDZXTZMER-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000566184236 302266337 /nfs/dbraw/zinc/26/63/37/302266337.db2.gz IRKLEMDZXTZMER-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000567792717 302389555 /nfs/dbraw/zinc/38/95/55/302389555.db2.gz OFYCCURHBNZCBL-RHSMWYFYSA-N 1 1 320.389 2.865 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000567792718 302389669 /nfs/dbraw/zinc/38/96/69/302389669.db2.gz OFYCCURHBNZCBL-WMLDXEAASA-N 1 1 320.389 2.865 20 5 DFBDMO C[C@H](O)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000568097756 302418564 /nfs/dbraw/zinc/41/85/64/302418564.db2.gz MIVQJEMRPZVULN-ZBEGNZNMSA-N 1 1 304.321 2.946 20 5 DFBDMO Cc1[nH+]ccn1CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000573838848 302726713 /nfs/dbraw/zinc/72/67/13/302726713.db2.gz DTFJPSXCPXGSRH-UHFFFAOYSA-N 1 1 315.377 2.876 20 5 DFBDMO COCCO[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000179343718 316007231 /nfs/dbraw/zinc/00/72/31/316007231.db2.gz CDDQZSIKHSHGJU-OAHLLOKOSA-N 1 1 308.378 2.531 20 5 DFBDMO CC(C)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181892923 316077102 /nfs/dbraw/zinc/07/71/02/316077102.db2.gz XKZKVBRPLVYRRU-GJZGRUSLSA-N 1 1 322.405 2.845 20 5 DFBDMO CC[C@H](C)C[N@@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181947692 316079156 /nfs/dbraw/zinc/07/91/56/316079156.db2.gz TYIDGQHLVAOKDO-KBPBESRZSA-N 1 1 310.394 2.703 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000182194819 316088860 /nfs/dbraw/zinc/08/88/60/316088860.db2.gz LBKZDUKXPMJVQK-HNNXBMFYSA-N 1 1 322.405 2.989 20 5 DFBDMO CCOc1cccc(N2CC[C@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000183153635 316132359 /nfs/dbraw/zinc/13/23/59/316132359.db2.gz ROGSUUHTAGEQIM-CYBMUJFWSA-N 1 1 307.394 2.772 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449557495 317043090 /nfs/dbraw/zinc/04/30/90/317043090.db2.gz UTXHLSDJEVXVLV-KFWWJZLASA-N 1 1 320.389 2.586 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(F)c1 ZINC000449558108 317044524 /nfs/dbraw/zinc/04/45/24/317044524.db2.gz VUTHZIUQLRNAOL-TYNCELHUSA-N 1 1 308.353 2.717 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488074906 317364944 /nfs/dbraw/zinc/36/49/44/317364944.db2.gz JVQWRBPTBPNFCZ-DOMZBBRYSA-N 1 1 314.389 2.706 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000572757570 318002601 /nfs/dbraw/zinc/00/26/01/318002601.db2.gz PNFZCJIDIAATOR-CJNGLKHVSA-N 1 1 320.389 2.993 20 5 DFBDMO Cn1cc(C[N@@H+]2CCC[C@@H](F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000574994660 318056045 /nfs/dbraw/zinc/05/60/45/318056045.db2.gz DIEJRHKRPUPKGU-CQSZACIVSA-N 1 1 318.352 2.929 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@@H](F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000574994660 318056047 /nfs/dbraw/zinc/05/60/47/318056047.db2.gz DIEJRHKRPUPKGU-CQSZACIVSA-N 1 1 318.352 2.929 20 5 DFBDMO C[C@H](C(=O)NCCCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000576358479 318121032 /nfs/dbraw/zinc/12/10/32/318121032.db2.gz MNWMXELYZQMOQF-ZDUSSCGKSA-N 1 1 319.405 2.689 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000578083210 318236909 /nfs/dbraw/zinc/23/69/09/318236909.db2.gz OXPQNFJEJOMQGS-CYBMUJFWSA-N 1 1 319.405 2.914 20 5 DFBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000192631137 323244478 /nfs/dbraw/zinc/24/44/78/323244478.db2.gz XBLBIDLBFJJAOK-KMFMINBZSA-N 1 1 322.405 2.845 20 5 DFBDMO O=[N+]([O-])c1cnc2ccccc2c1NCc1c[nH+]c2n1CCCC2 ZINC000581345948 323509156 /nfs/dbraw/zinc/50/91/56/323509156.db2.gz XMVFSQPXWXZNIW-UHFFFAOYSA-N 1 1 323.356 2.710 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000305863153 533825872 /nfs/dbraw/zinc/82/58/72/533825872.db2.gz YSGJGPODTXAOQK-RHSMWYFYSA-N 1 1 320.389 2.730 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000294715979 533922753 /nfs/dbraw/zinc/92/27/53/533922753.db2.gz FCHYICYSXLDXLE-CQSZACIVSA-N 1 1 321.377 2.566 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000294715979 533922759 /nfs/dbraw/zinc/92/27/59/533922759.db2.gz FCHYICYSXLDXLE-CQSZACIVSA-N 1 1 321.377 2.566 20 5 DFBDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000331997207 533971183 /nfs/dbraw/zinc/97/11/83/533971183.db2.gz BJIQZJXTVBCRQP-HIFRSBDPSA-N 1 1 318.377 2.652 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000248880911 519782027 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Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000154786855 525301007 /nfs/dbraw/zinc/30/10/07/525301007.db2.gz QNEOGCVJGXPSMF-QMTHXVAHSA-N 1 1 313.785 2.688 20 5 DFBDMO Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000154786855 525301012 /nfs/dbraw/zinc/30/10/12/525301012.db2.gz QNEOGCVJGXPSMF-QMTHXVAHSA-N 1 1 313.785 2.688 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364230141 525563687 /nfs/dbraw/zinc/56/36/87/525563687.db2.gz ZJYRLLZSUUFISA-UHFFFAOYSA-N 1 1 320.389 2.675 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(CF)CC2)c2c(c1)COCO2 ZINC000295018275 534879640 /nfs/dbraw/zinc/87/96/40/534879640.db2.gz KHMULRRERLFBNG-UHFFFAOYSA-N 1 1 310.325 2.643 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000330700181 526732175 /nfs/dbraw/zinc/73/21/75/526732175.db2.gz GQKRDNLVDMNLCS-HOTGVXAUSA-N 1 1 306.406 2.866 20 5 DFBDMO Cc1nc(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000364110432 526784618 /nfs/dbraw/zinc/78/46/18/526784618.db2.gz IHJOFSNNGHNZAA-LLVKDONJSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nnc(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000364110432 526784623 /nfs/dbraw/zinc/78/46/23/526784623.db2.gz IHJOFSNNGHNZAA-LLVKDONJSA-N 1 1 315.377 2.962 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CCC(Cc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000364906215 527360783 /nfs/dbraw/zinc/36/07/83/527360783.db2.gz KNIKWMNPRBCQHB-UHFFFAOYSA-N 1 1 304.325 2.916 20 5 DFBDMO CCC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000298180349 528033842 /nfs/dbraw/zinc/03/38/42/528033842.db2.gz ROMNVMLDMBJHCD-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO CC(C)C[N@H+](CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000358272653 535054248 /nfs/dbraw/zinc/05/42/48/535054248.db2.gz IOAKKAIDKQFIPQ-UHFFFAOYSA-N 1 1 316.405 2.992 20 5 DFBDMO CCOc1cc(N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000357565075 535687226 /nfs/dbraw/zinc/68/72/26/535687226.db2.gz JMDKYKNUNHZMEY-SNVBAGLBSA-N 1 1 302.334 2.686 20 5 DFBDMO CCOc1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000357565075 535687232 /nfs/dbraw/zinc/68/72/32/535687232.db2.gz JMDKYKNUNHZMEY-SNVBAGLBSA-N 1 1 302.334 2.686 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246906752 536167935 /nfs/dbraw/zinc/16/79/35/536167935.db2.gz HZQGKEYNBWNBET-GJZGRUSLSA-N 1 1 317.389 2.602 20 5 DFBDMO CCc1nn(C)c(NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000354557213 536182043 /nfs/dbraw/zinc/18/20/43/536182043.db2.gz CKKUXPUABSOVFG-NEPJUHHUSA-N 1 1 309.414 2.566 20 5 DFBDMO CC(C)n1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000278707127 214342278 /nfs/dbraw/zinc/34/22/78/214342278.db2.gz OHXCZLNJKMQNPN-UHFFFAOYSA-N 1 1 314.349 2.538 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000317333006 231161234 /nfs/dbraw/zinc/16/12/34/231161234.db2.gz XKBHLFDBVUFIRN-VXGBXAGGSA-N 1 1 323.780 2.605 20 5 DFBDMO C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000596189174 398352309 /nfs/dbraw/zinc/35/23/09/398352309.db2.gz GMOLRLRIZKEHLW-NWDGAFQWSA-N 1 1 320.393 2.760 20 5 DFBDMO C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000596241186 398365319 /nfs/dbraw/zinc/36/53/19/398365319.db2.gz OEIYVYDNZLBOKY-LLVKDONJSA-N 1 1 324.812 2.954 20 5 DFBDMO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000596254336 398369192 /nfs/dbraw/zinc/36/91/92/398369192.db2.gz AZZVYMZFDNAQAI-JTQLQIEISA-N 1 1 310.785 2.564 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008350956 398372452 /nfs/dbraw/zinc/37/24/52/398372452.db2.gz MCYAAMCWNAAKBD-CYBMUJFWSA-N 1 1 305.378 2.589 20 5 DFBDMO C[C@@H](c1ccco1)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090559367 185303410 /nfs/dbraw/zinc/30/34/10/185303410.db2.gz XIPZMEYTGZERGN-LBPRGKRZSA-N 1 1 317.345 2.575 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000596334508 398388217 /nfs/dbraw/zinc/38/82/17/398388217.db2.gz AQIMZICALNNUQS-NSHDSACASA-N 1 1 315.377 2.823 20 5 DFBDMO CCC(=O)N[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092705245 185335074 /nfs/dbraw/zinc/33/50/74/185335074.db2.gz AHBQJJVTMRGYCF-PXTSUWAFSA-N 1 1 317.389 2.599 20 5 DFBDMO CCC(=O)N[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092705245 185335075 /nfs/dbraw/zinc/33/50/75/185335075.db2.gz AHBQJJVTMRGYCF-PXTSUWAFSA-N 1 1 317.389 2.599 20 5 DFBDMO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092708302 185335333 /nfs/dbraw/zinc/33/53/33/185335333.db2.gz HPQKQKPJVCSSDS-OAHLLOKOSA-N 1 1 319.405 2.784 20 5 DFBDMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092708302 185335334 /nfs/dbraw/zinc/33/53/34/185335334.db2.gz HPQKQKPJVCSSDS-OAHLLOKOSA-N 1 1 319.405 2.784 20 5 DFBDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000015369749 398395124 /nfs/dbraw/zinc/39/51/24/398395124.db2.gz ROGQVBHCWOLLNU-UHFFFAOYSA-N 1 1 300.314 2.956 20 5 DFBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000015296969 398395195 /nfs/dbraw/zinc/39/51/95/398395195.db2.gz QZAYBRWFHSMAJM-HNNXBMFYSA-N 1 1 314.341 2.867 20 5 DFBDMO COc1cc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)ccc1[N+](=O)[O-] ZINC000592182454 398398175 /nfs/dbraw/zinc/39/81/75/398398175.db2.gz AMCATVUACFGQMV-CYBMUJFWSA-N 1 1 320.389 2.994 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccncc1 ZINC000181446909 199298198 /nfs/dbraw/zinc/29/81/98/199298198.db2.gz PDHHSZYSBWNURS-UHFFFAOYSA-N 1 1 301.346 2.543 20 5 DFBDMO O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000016426560 398400550 /nfs/dbraw/zinc/40/05/50/398400550.db2.gz HHBYVPBGLLHYPB-UHFFFAOYSA-N 1 1 317.414 2.974 20 5 DFBDMO CC[N@H+](CCSC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000592201515 398400901 /nfs/dbraw/zinc/40/09/01/398400901.db2.gz UYHBWJSKANMKSM-UHFFFAOYSA-N 1 1 311.407 2.527 20 5 DFBDMO CC[N@@H+](CCSC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000592201515 398400905 /nfs/dbraw/zinc/40/09/05/398400905.db2.gz UYHBWJSKANMKSM-UHFFFAOYSA-N 1 1 311.407 2.527 20 5 DFBDMO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592212799 398403219 /nfs/dbraw/zinc/40/32/19/398403219.db2.gz KVGNGZLMTCZEES-CYBMUJFWSA-N 1 1 320.393 2.851 20 5 DFBDMO C[C@H](c1ccco1)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181605872 199326018 /nfs/dbraw/zinc/32/60/18/199326018.db2.gz GZVHQFIRANHBRG-OLZOCXBDSA-N 1 1 320.345 2.621 20 5 DFBDMO O=c1[nH]ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596478693 398424033 /nfs/dbraw/zinc/42/40/33/398424033.db2.gz JCSFCUNZDXHTSZ-LLVKDONJSA-N 1 1 306.366 2.514 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255442032 398424704 /nfs/dbraw/zinc/42/47/04/398424704.db2.gz ZPODDAIPWGCOSY-TZPOZWHTSA-N 1 1 301.390 2.777 20 5 DFBDMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000023991616 398426989 /nfs/dbraw/zinc/42/69/89/398426989.db2.gz VJUJXNRRKHILOQ-LLVKDONJSA-N 1 1 309.366 2.662 20 5 DFBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000269773234 398447304 /nfs/dbraw/zinc/44/73/04/398447304.db2.gz CDOMOAOKWYLUMU-UKRRQHHQSA-N 1 1 308.378 2.599 20 5 DFBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000296381396 530059269 /nfs/dbraw/zinc/05/92/69/530059269.db2.gz SCLZASBAVXKBJI-MRXNPFEDSA-N 1 1 318.377 2.544 20 5 DFBDMO C[NH+]1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000302243181 530072077 /nfs/dbraw/zinc/07/20/77/530072077.db2.gz JLJCAOMXIFBOBK-UHFFFAOYSA-N 1 1 324.400 2.562 20 5 DFBDMO CCN(C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596627175 398463994 /nfs/dbraw/zinc/46/39/94/398463994.db2.gz VXKWGTJIZVLTOB-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@@H+](CC)C1 ZINC000596639633 398468483 /nfs/dbraw/zinc/46/84/83/398468483.db2.gz YHCXOXOEYRIOST-AWEZNQCLSA-N 1 1 320.393 2.851 20 5 DFBDMO COC[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089908213 398469628 /nfs/dbraw/zinc/46/96/28/398469628.db2.gz SKJZPWCDOAWGCE-HNNXBMFYSA-N 1 1 317.345 2.861 20 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215039516 /nfs/dbraw/zinc/03/95/16/215039516.db2.gz CNHNSDCDLIPTDT-OCCSQVGLSA-N 1 1 308.378 2.729 20 5 DFBDMO CCc1nn(C)cc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000589183963 398533340 /nfs/dbraw/zinc/53/33/40/398533340.db2.gz ZIDYZKLJNNSKBU-UHFFFAOYSA-N 1 1 302.378 2.565 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCn2ccnc2C1 ZINC000589201739 398536632 /nfs/dbraw/zinc/53/66/32/398536632.db2.gz FICHHGAHQXEXGB-LBPRGKRZSA-N 1 1 318.352 2.625 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCCC[C@H]1C ZINC000032732413 398537177 /nfs/dbraw/zinc/53/71/77/398537177.db2.gz FIQXUQIRGXNLSL-MNOVXSKESA-N 1 1 311.407 2.649 20 5 DFBDMO Cc1c(C(=O)NCC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000068906123 398537366 /nfs/dbraw/zinc/53/73/66/398537366.db2.gz DSLYMTRJOMAWJI-UHFFFAOYSA-N 1 1 319.405 2.898 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000069043902 398544352 /nfs/dbraw/zinc/54/43/52/398544352.db2.gz LAUBLFVMRQOFQA-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO C[N@@H+](CCNc1ncnc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000321398484 398552738 /nfs/dbraw/zinc/55/27/38/398552738.db2.gz JGUNRKFJFUXBTM-UHFFFAOYSA-N 1 1 315.377 2.824 20 5 DFBDMO CC[N@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1C ZINC000589864894 398580337 /nfs/dbraw/zinc/58/03/37/398580337.db2.gz HVTFJUDQGDWMSI-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CO[C@@]1(CO)CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597186737 398585132 /nfs/dbraw/zinc/58/51/32/398585132.db2.gz HWPVCBDMDLASPM-KRWDZBQOSA-N 1 1 322.405 2.692 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000092634665 398589596 /nfs/dbraw/zinc/58/95/96/398589596.db2.gz WQTZNPMWYVHRHI-SNVBAGLBSA-N 1 1 320.324 2.674 20 5 DFBDMO COCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092657399 398590781 /nfs/dbraw/zinc/59/07/81/398590781.db2.gz QMYNNVWOUZNQAF-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DFBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[N@H+]1C1CC1 ZINC000133651068 186003557 /nfs/dbraw/zinc/00/35/57/186003557.db2.gz MYIGUEADJWXJLQ-UWVGGRQHSA-N 1 1 323.780 2.603 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000133646881 186002751 /nfs/dbraw/zinc/00/27/51/186002751.db2.gz ROIBZVNMCGVALA-CJNGLKHVSA-N 1 1 319.405 2.662 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000597232767 398599111 /nfs/dbraw/zinc/59/91/11/398599111.db2.gz VWZKBGUOASCQEO-HUTFFOLGSA-N 1 1 302.374 2.966 20 5 DFBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[N@H+]1C1CC1 ZINC000133651486 186003637 /nfs/dbraw/zinc/00/36/37/186003637.db2.gz MYIGUEADJWXJLQ-VHSXEESVSA-N 1 1 323.780 2.603 20 5 DFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072698064 398630588 /nfs/dbraw/zinc/63/05/88/398630588.db2.gz MKPNKHQLDIXPLN-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000152640550 186092735 /nfs/dbraw/zinc/09/27/35/186092735.db2.gz LXIXAAXJECXHDD-PHIMTYICSA-N 1 1 323.780 2.919 20 5 DFBDMO CC1(C)CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072827525 398640412 /nfs/dbraw/zinc/64/04/12/398640412.db2.gz RQKTURWYYZDDSA-UHFFFAOYSA-N 1 1 319.361 2.625 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000175643355 186184327 /nfs/dbraw/zinc/18/43/27/186184327.db2.gz VPDLQAVVVVJZBR-UHFFFAOYSA-N 1 1 308.382 2.757 20 5 DFBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000072871762 398644138 /nfs/dbraw/zinc/64/41/38/398644138.db2.gz OQHYGQJJTSIDJY-TXEJJXNPSA-N 1 1 321.377 2.520 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000044715106 398652986 /nfs/dbraw/zinc/65/29/86/398652986.db2.gz KLRAAYLQCNQLQS-INIZCTEOSA-N 1 1 322.405 2.847 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1 ZINC000459730336 299174826 /nfs/dbraw/zinc/17/48/26/299174826.db2.gz SKYOQTYSNRCSCY-HZPDHXFCSA-N 1 1 302.374 2.638 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](CC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000044898257 398656919 /nfs/dbraw/zinc/65/69/19/398656919.db2.gz HDZNEMLPNHNJKY-UHFFFAOYSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000172831465 198155572 /nfs/dbraw/zinc/15/55/72/198155572.db2.gz WPWPZOQXDOJBAA-OAHLLOKOSA-N 1 1 319.405 2.850 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172947173 198170027 /nfs/dbraw/zinc/17/00/27/198170027.db2.gz MWERGSAAMTZIMA-UTUOFQBUSA-N 1 1 303.362 2.510 20 5 DFBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000593727670 398678056 /nfs/dbraw/zinc/67/80/56/398678056.db2.gz PRTZOMWHEIXTSH-KBPBESRZSA-N 1 1 319.405 2.512 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173214139 198196346 /nfs/dbraw/zinc/19/63/46/198196346.db2.gz NRMBAAJCGHTNGP-UKRRQHHQSA-N 1 1 319.405 2.706 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000590830551 398683859 /nfs/dbraw/zinc/68/38/59/398683859.db2.gz PFIUCOPITMSPTL-CYBMUJFWSA-N 1 1 320.393 2.770 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174363168 198325334 /nfs/dbraw/zinc/32/53/34/198325334.db2.gz VFSHIQHJJIQCPU-IUODEOHRSA-N 1 1 320.393 2.789 20 5 DFBDMO Cc1sc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859322 398706300 /nfs/dbraw/zinc/70/63/00/398706300.db2.gz UNYXJBKJBRBWKM-JTQLQIEISA-N 1 1 311.407 2.567 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000597859598 398706410 /nfs/dbraw/zinc/70/64/10/398706410.db2.gz VWEJESXZXUGZCE-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174875403 198396323 /nfs/dbraw/zinc/39/63/23/198396323.db2.gz AJISRDNYWXIZTD-OAHLLOKOSA-N 1 1 302.378 2.744 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176264839 198566448 /nfs/dbraw/zinc/56/64/48/198566448.db2.gz RYAZVBAOTPOGGC-CYBMUJFWSA-N 1 1 320.393 2.851 20 5 DFBDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597924998 398722186 /nfs/dbraw/zinc/72/21/86/398722186.db2.gz MBKRQDVALLAKHN-ZDUSSCGKSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1sc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597926289 398723011 /nfs/dbraw/zinc/72/30/11/398723011.db2.gz XSMHONCPTUNCTL-JTQLQIEISA-N 1 1 311.407 2.567 20 5 DFBDMO CC(C)OC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130985145 283067553 /nfs/dbraw/zinc/06/75/53/283067553.db2.gz LXZZNXURAPGPOO-UHFFFAOYSA-N 1 1 306.362 2.901 20 5 DFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594056135 398734016 /nfs/dbraw/zinc/73/40/16/398734016.db2.gz RDPLVQAXFIOTCX-LSDHHAIUSA-N 1 1 318.377 2.733 20 5 DFBDMO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CCc4c[nH+]cn4C3)c2c1 ZINC000591160412 398734197 /nfs/dbraw/zinc/73/41/97/398734197.db2.gz QAOALMXDWBCQBS-GFCCVEGCSA-N 1 1 309.329 2.766 20 5 DFBDMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594204683 398765733 /nfs/dbraw/zinc/76/57/33/398765733.db2.gz WQQGADSYDXSRAK-ZBFHGGJFSA-N 1 1 317.389 2.650 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCC[NH2+]C1CC1 ZINC000591577311 398773141 /nfs/dbraw/zinc/77/31/41/398773141.db2.gz OUPVVBNTVHUDFE-BBRMVZONSA-N 1 1 303.406 2.648 20 5 DFBDMO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000594307992 398782031 /nfs/dbraw/zinc/78/20/31/398782031.db2.gz HKCSGGQTVXBLFC-ZDUSSCGKSA-N 1 1 319.405 2.812 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000276932718 213184749 /nfs/dbraw/zinc/18/47/49/213184749.db2.gz RAEHKYWHFLVKAO-CYBMUJFWSA-N 1 1 322.361 2.521 20 5 DFBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849341 398794551 /nfs/dbraw/zinc/79/45/51/398794551.db2.gz GEMLOWYQVSPMEJ-KRWDZBQOSA-N 1 1 321.421 2.636 20 5 DFBDMO CC(C)[C@@H]1C[N@H+](C)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849341 398794553 /nfs/dbraw/zinc/79/45/53/398794553.db2.gz GEMLOWYQVSPMEJ-KRWDZBQOSA-N 1 1 321.421 2.636 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849341 398794556 /nfs/dbraw/zinc/79/45/56/398794556.db2.gz GEMLOWYQVSPMEJ-KRWDZBQOSA-N 1 1 321.421 2.636 20 5 DFBDMO CC(C)[C@H]1CN(C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849342 398794592 /nfs/dbraw/zinc/79/45/92/398794592.db2.gz GEMLOWYQVSPMEJ-QGZVFWFLSA-N 1 1 321.421 2.636 20 5 DFBDMO CC(C)[C@H]1C[N@H+](C)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849342 398794593 /nfs/dbraw/zinc/79/45/93/398794593.db2.gz GEMLOWYQVSPMEJ-QGZVFWFLSA-N 1 1 321.421 2.636 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849342 398794595 /nfs/dbraw/zinc/79/45/95/398794595.db2.gz GEMLOWYQVSPMEJ-QGZVFWFLSA-N 1 1 321.421 2.636 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000598343075 398796095 /nfs/dbraw/zinc/79/60/95/398796095.db2.gz RZHVLCLQEKSEES-AWEZNQCLSA-N 1 1 319.405 2.932 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000276848431 213132454 /nfs/dbraw/zinc/13/24/54/213132454.db2.gz DDEHDESGAGSBJU-HOCLYGCPSA-N 1 1 322.405 2.976 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000151957586 283303913 /nfs/dbraw/zinc/30/39/13/283303913.db2.gz JXDSNAPTZJWUAE-UHFFFAOYSA-N 1 1 308.378 2.601 20 5 DFBDMO CC(C)C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075679639 398816694 /nfs/dbraw/zinc/81/66/94/398816694.db2.gz ZQJUUEJFPKCJHE-KBPBESRZSA-N 1 1 319.405 2.892 20 5 DFBDMO CC(C)C(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075679639 398816696 /nfs/dbraw/zinc/81/66/96/398816696.db2.gz ZQJUUEJFPKCJHE-KBPBESRZSA-N 1 1 319.405 2.892 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594596989 398827878 /nfs/dbraw/zinc/82/78/78/398827878.db2.gz BTIWZXZDVJEGSR-STQMWFEESA-N 1 1 307.398 2.548 20 5 DFBDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000180099715 199116568 /nfs/dbraw/zinc/11/65/68/199116568.db2.gz AODJPDYDDOKBNX-UHFFFAOYSA-N 1 1 300.362 2.980 20 5 DFBDMO CSc1cccc(C(=O)NC[C@@H]2CC[C@H](C)[N@H+]2C)c1[N+](=O)[O-] ZINC000598698777 398857321 /nfs/dbraw/zinc/85/73/21/398857321.db2.gz WWGZKNQNHDFMGD-QWRGUYRKSA-N 1 1 323.418 2.529 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCOCC(F)(F)F)C2 ZINC000153171946 283356145 /nfs/dbraw/zinc/35/61/45/283356145.db2.gz MEWUVFWFXMPACX-UHFFFAOYSA-N 1 1 318.295 2.922 20 5 DFBDMO CCC1CC[NH+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000053376371 398870545 /nfs/dbraw/zinc/87/05/45/398870545.db2.gz NVAANQVTAFZIBP-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@H+]1CCC[C@H](C)C1 ZINC000595009213 398891259 /nfs/dbraw/zinc/89/12/59/398891259.db2.gz FQAIAHWVMUBXQP-UONOGXRCSA-N 1 1 321.421 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCC[C@H](C)C1 ZINC000595009213 398891260 /nfs/dbraw/zinc/89/12/60/398891260.db2.gz FQAIAHWVMUBXQP-UONOGXRCSA-N 1 1 321.421 2.986 20 5 DFBDMO CCC[N@@H+](CC)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014259 398891504 /nfs/dbraw/zinc/89/15/04/398891504.db2.gz VQMLVHPJUMOVRJ-ZDUSSCGKSA-N 1 1 309.410 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000595013634 398891548 /nfs/dbraw/zinc/89/15/48/398891548.db2.gz QMZRULQYIIZFBU-RCBQFDQVSA-N 1 1 319.405 2.881 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000595023904 398893973 /nfs/dbraw/zinc/89/39/73/398893973.db2.gz ZIWBHEGTHITVFP-ZYHUDNBSSA-N 1 1 318.377 2.917 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1c(C)nn(C)c1C ZINC000595037370 398895655 /nfs/dbraw/zinc/89/56/55/398895655.db2.gz MJOZQUQISICDSR-SNVBAGLBSA-N 1 1 318.377 2.805 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142087314 398896891 /nfs/dbraw/zinc/89/68/91/398896891.db2.gz SOBNWUAHYVZHIQ-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000470208253 299293092 /nfs/dbraw/zinc/29/30/92/299293092.db2.gz YMAOTXBPPLIWER-NZMSABIYSA-N 1 1 317.389 2.584 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000470208253 299293095 /nfs/dbraw/zinc/29/30/95/299293095.db2.gz YMAOTXBPPLIWER-NZMSABIYSA-N 1 1 317.389 2.584 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187935635 200179412 /nfs/dbraw/zinc/17/94/12/200179412.db2.gz WHJYGMZQDTYWOW-LRDDRELGSA-N 1 1 308.378 2.586 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188115596 200196234 /nfs/dbraw/zinc/19/62/34/200196234.db2.gz UDXDXVIQMTWVLE-HOCLYGCPSA-N 1 1 318.398 2.864 20 5 DFBDMO CCOC(=O)CC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595297171 398918529 /nfs/dbraw/zinc/91/85/29/398918529.db2.gz KMTQAKFLPCIUKM-UHFFFAOYSA-N 1 1 324.352 2.899 20 5 DFBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000595300198 398919093 /nfs/dbraw/zinc/91/90/93/398919093.db2.gz BBUZQLJDGNMAHM-LBPRGKRZSA-N 1 1 318.352 2.847 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188413296 200241822 /nfs/dbraw/zinc/24/18/22/200241822.db2.gz SQHRINRLFCHJNB-WUTVXBCWSA-N 1 1 312.373 2.969 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCO[C@H]2CC2(F)F)C2CC2)c1 ZINC000595355015 398926351 /nfs/dbraw/zinc/92/63/51/398926351.db2.gz UDAGPMFGYRCKSV-AWEZNQCLSA-N 1 1 312.316 2.983 20 5 DFBDMO CO[C@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCOC1 ZINC000595355080 398926512 /nfs/dbraw/zinc/92/65/12/398926512.db2.gz VOVCPMUVTDWEIS-WMLDXEAASA-N 1 1 320.389 2.611 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CC1 ZINC000189003959 200334462 /nfs/dbraw/zinc/33/44/62/200334462.db2.gz AYDHSCPXTMHLIL-UHFFFAOYSA-N 1 1 309.341 2.794 20 5 DFBDMO CCn1cnnc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307056 296008579 /nfs/dbraw/zinc/00/85/79/296008579.db2.gz DJEOYHOWGMITRH-HNNXBMFYSA-N 1 1 315.377 2.764 20 5 DFBDMO CCc1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000471802449 299306197 /nfs/dbraw/zinc/30/61/97/299306197.db2.gz AZKJVSJBDWQQJA-ZDUSSCGKSA-N 1 1 319.405 2.619 20 5 DFBDMO Cc1noc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429071 398936703 /nfs/dbraw/zinc/93/67/03/398936703.db2.gz BGYCWKJQXLPLSP-YPMHNXCESA-N 1 1 322.409 2.634 20 5 DFBDMO Cc1noc(C[NH+]2CCC(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000595460552 398943218 /nfs/dbraw/zinc/94/32/18/398943218.db2.gz WNZPQDLNYIAWLN-UHFFFAOYSA-N 1 1 302.334 2.666 20 5 DFBDMO O=[N+]([O-])c1ccc(NCCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000078494418 398960500 /nfs/dbraw/zinc/96/05/00/398960500.db2.gz JAISWIDWXXXMAE-UHFFFAOYSA-N 1 1 312.373 2.850 20 5 DFBDMO COc1cc(C[N@@H+](C)CCCSC)c([N+](=O)[O-])cc1F ZINC000281398285 216272167 /nfs/dbraw/zinc/27/21/67/216272167.db2.gz NIURJIZDFYGSJO-UHFFFAOYSA-N 1 1 302.371 2.927 20 5 DFBDMO Cc1noc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000595553117 398969358 /nfs/dbraw/zinc/96/93/58/398969358.db2.gz CTQBDLMQRQHPAQ-OAHLLOKOSA-N 1 1 321.377 2.672 20 5 DFBDMO Cc1cnc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078670732 398979245 /nfs/dbraw/zinc/97/92/45/398979245.db2.gz PKGQIKFUVFXUAX-CQSZACIVSA-N 1 1 304.394 2.975 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000194499958 201239569 /nfs/dbraw/zinc/23/95/69/201239569.db2.gz FLTFCPRTJIYDRO-CQSZACIVSA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194894492 201307142 /nfs/dbraw/zinc/30/71/42/201307142.db2.gz BQFFONQTVQJVLB-SNVBAGLBSA-N 1 1 311.363 2.688 20 5 DFBDMO C[C@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194894492 201307145 /nfs/dbraw/zinc/30/71/45/201307145.db2.gz BQFFONQTVQJVLB-SNVBAGLBSA-N 1 1 311.363 2.688 20 5 DFBDMO CC[C@H](C)[N@@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595602925 398993809 /nfs/dbraw/zinc/99/38/09/398993809.db2.gz YKPQANCOXXJYDW-LBPRGKRZSA-N 1 1 305.378 2.604 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170735749 399018673 /nfs/dbraw/zinc/01/86/73/399018673.db2.gz XWAVLQMULFMHIA-CHWSQXEVSA-N 1 1 305.378 2.633 20 5 DFBDMO C[C@@]12COC[C@]1(C)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595687877 399035086 /nfs/dbraw/zinc/03/50/86/399035086.db2.gz DRUJSNVZJVVMHE-CALCHBBNSA-N 1 1 320.389 2.722 20 5 DFBDMO C[C@@H](c1ccccn1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091703384 193093923 /nfs/dbraw/zinc/09/39/23/193093923.db2.gz HAPBXFOSZWZXDQ-LRDDRELGSA-N 1 1 301.346 2.716 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000595696406 399038918 /nfs/dbraw/zinc/03/89/18/399038918.db2.gz KPSIECDAFNRIEJ-JSGCOSHPSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1CCO ZINC000595695448 399038979 /nfs/dbraw/zinc/03/89/79/399038979.db2.gz HSHIKFRXJJLPGN-ZUZCIYMTSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1CCO ZINC000595695448 399038983 /nfs/dbraw/zinc/03/89/83/399038983.db2.gz HSHIKFRXJJLPGN-ZUZCIYMTSA-N 1 1 314.332 2.856 20 5 DFBDMO Cc1c(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000079551221 399057165 /nfs/dbraw/zinc/05/71/65/399057165.db2.gz VPVQLPQBJVQQQW-DZGCQCFKSA-N 1 1 318.377 2.652 20 5 DFBDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599690674 399066159 /nfs/dbraw/zinc/06/61/59/399066159.db2.gz OUWIKRSYZKZCTC-ZRMMWKCHSA-N 1 1 317.389 2.872 20 5 DFBDMO O=C(C[N@@H+]1CCC[C@@H](CCF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595755925 399072959 /nfs/dbraw/zinc/07/29/59/399072959.db2.gz RMHJQZFHRHJHHJ-LBPRGKRZSA-N 1 1 309.341 2.605 20 5 DFBDMO O=C(C[N@H+]1CCC[C@@H](CCF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595755925 399072963 /nfs/dbraw/zinc/07/29/63/399072963.db2.gz RMHJQZFHRHJHHJ-LBPRGKRZSA-N 1 1 309.341 2.605 20 5 DFBDMO CC[N@@H+]1CCO[C@@H](CNc2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000618339768 399087068 /nfs/dbraw/zinc/08/70/68/399087068.db2.gz OPHZALSIHGUFSN-LBPRGKRZSA-N 1 1 313.785 2.689 20 5 DFBDMO CC[N@H+]1CCO[C@@H](CNc2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000618339768 399087072 /nfs/dbraw/zinc/08/70/72/399087072.db2.gz OPHZALSIHGUFSN-LBPRGKRZSA-N 1 1 313.785 2.689 20 5 DFBDMO Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338347954 284103272 /nfs/dbraw/zinc/10/32/72/284103272.db2.gz GABCYSPASUPQSV-LBPRGKRZSA-N 1 1 316.361 2.634 20 5 DFBDMO Cc1noc(C)c1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350843 284104372 /nfs/dbraw/zinc/10/43/72/284104372.db2.gz PMRCIUQHYMPRKZ-UHFFFAOYSA-N 1 1 303.362 2.917 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595828530 399102029 /nfs/dbraw/zinc/10/20/29/399102029.db2.gz UEMUEBIHDMZDMT-AWEZNQCLSA-N 1 1 316.361 2.602 20 5 DFBDMO Cc1noc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595828530 399102033 /nfs/dbraw/zinc/10/20/33/399102033.db2.gz UEMUEBIHDMZDMT-AWEZNQCLSA-N 1 1 316.361 2.602 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419376463 296137683 /nfs/dbraw/zinc/13/76/83/296137683.db2.gz TUKRYZJTNHUHIN-YNEHKIRRSA-N 1 1 305.378 2.818 20 5 DFBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595856289 399114932 /nfs/dbraw/zinc/11/49/32/399114932.db2.gz AHKUCXGZLYBIME-JALIKCBVSA-N 1 1 320.389 2.597 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595874421 399119273 /nfs/dbraw/zinc/11/92/73/399119273.db2.gz OMTLANRZFNRVCJ-GUYCJALGSA-N 1 1 322.405 2.832 20 5 DFBDMO CSCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093509692 193262220 /nfs/dbraw/zinc/26/22/20/193262220.db2.gz PTNUWMKZRYATIS-UHFFFAOYSA-N 1 1 306.334 2.991 20 5 DFBDMO CSCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093509692 193262221 /nfs/dbraw/zinc/26/22/21/193262221.db2.gz PTNUWMKZRYATIS-UHFFFAOYSA-N 1 1 306.334 2.991 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000332049276 284192016 /nfs/dbraw/zinc/19/20/16/284192016.db2.gz ZLYFWBNEKQGTIC-BMFZPTHFSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000332049276 284192020 /nfs/dbraw/zinc/19/20/20/284192020.db2.gz ZLYFWBNEKQGTIC-BMFZPTHFSA-N 1 1 318.373 2.901 20 5 DFBDMO C[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595909362 399131684 /nfs/dbraw/zinc/13/16/84/399131684.db2.gz LWJGBXUZHQNSIT-IUODEOHRSA-N 1 1 307.394 2.640 20 5 DFBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595911013 399132306 /nfs/dbraw/zinc/13/23/06/399132306.db2.gz WCCZUZFKPLWLNN-LBPRGKRZSA-N 1 1 305.378 2.901 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060477877 399133132 /nfs/dbraw/zinc/13/31/32/399133132.db2.gz XJCJHJWCANQLMW-UKRRQHHQSA-N 1 1 308.378 2.599 20 5 DFBDMO CC[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000264687925 204078907 /nfs/dbraw/zinc/07/89/07/204078907.db2.gz CYXRPSNYUKHGPF-RYUDHWBXSA-N 1 1 323.393 2.908 20 5 DFBDMO C[N@@H+](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCC1 ZINC000600822793 399155473 /nfs/dbraw/zinc/15/54/73/399155473.db2.gz VOHBTYYRBXIGCM-UHFFFAOYSA-N 1 1 317.389 2.570 20 5 DFBDMO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000600826227 399156967 /nfs/dbraw/zinc/15/69/67/399156967.db2.gz XFLMUNUFSHKCRL-LBPRGKRZSA-N 1 1 305.378 2.565 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[NH2+]CC2(F)F)c2ncccc12 ZINC000420291985 296170330 /nfs/dbraw/zinc/17/03/30/296170330.db2.gz WCLZDMYQYAYGDO-JTQLQIEISA-N 1 1 322.315 2.800 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000282492400 217038401 /nfs/dbraw/zinc/03/84/01/217038401.db2.gz PYPVQEQAQGUBBZ-ROUUACIJSA-N 1 1 312.369 2.727 20 5 DFBDMO COc1cccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282556000 217084675 /nfs/dbraw/zinc/08/46/75/217084675.db2.gz XTCRDTYASSMUBJ-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO CC(C)(C)n1ncnc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000282632641 217140711 /nfs/dbraw/zinc/14/07/11/217140711.db2.gz JVVHCVVVMWUIFM-SOFGYWHQSA-N 1 1 315.377 2.744 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000614222790 399179892 /nfs/dbraw/zinc/17/98/92/399179892.db2.gz BBBUEIGDSUDSAW-UHFFFAOYSA-N 1 1 320.389 2.866 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271714843 209149976 /nfs/dbraw/zinc/14/99/76/209149976.db2.gz JTCQSFRACGKQNF-MJBXVCDLSA-N 1 1 319.405 2.750 20 5 DFBDMO CCN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1CC ZINC000614236480 399185164 /nfs/dbraw/zinc/18/51/64/399185164.db2.gz UWQCMPGRNWOSOZ-HNNXBMFYSA-N 1 1 321.421 2.780 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000271683111 209123038 /nfs/dbraw/zinc/12/30/38/209123038.db2.gz PIWRHRRBLBHHCZ-MRXNPFEDSA-N 1 1 316.357 2.817 20 5 DFBDMO Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000198375788 399194179 /nfs/dbraw/zinc/19/41/79/399194179.db2.gz KCSHIAFUHGPPOK-AWEZNQCLSA-N 1 1 319.405 2.898 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080958698 399194758 /nfs/dbraw/zinc/19/47/58/399194758.db2.gz GQTWPHQDDLSNGU-ZDUSSCGKSA-N 1 1 316.361 2.576 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080961798 399196324 /nfs/dbraw/zinc/19/63/24/399196324.db2.gz YGQXWLSITXXTBS-LLVKDONJSA-N 1 1 304.325 2.837 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080961798 399196326 /nfs/dbraw/zinc/19/63/26/399196326.db2.gz YGQXWLSITXXTBS-LLVKDONJSA-N 1 1 304.325 2.837 20 5 DFBDMO Cc1[nH+]ccn1CCCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000266271862 205227794 /nfs/dbraw/zinc/22/77/94/205227794.db2.gz RIBWQZVXDYWIDZ-UHFFFAOYSA-N 1 1 320.378 2.701 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000063693005 399201613 /nfs/dbraw/zinc/20/16/13/399201613.db2.gz KWMPPHURTOCVOP-NSHDSACASA-N 1 1 311.407 2.507 20 5 DFBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000420637937 296194830 /nfs/dbraw/zinc/19/48/30/296194830.db2.gz PQMXBDGXFMCCPW-AWEZNQCLSA-N 1 1 300.362 2.673 20 5 DFBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420640866 296195090 /nfs/dbraw/zinc/19/50/90/296195090.db2.gz TUUPNSLXDNIGBM-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO Cc1cc(C)c(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)c(C)[nH+]1 ZINC000601080900 399220315 /nfs/dbraw/zinc/22/03/15/399220315.db2.gz JDKKEZFAYLBKQK-UHFFFAOYSA-N 1 1 313.313 2.871 20 5 DFBDMO COC(=O)C[C@@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601132221 399236593 /nfs/dbraw/zinc/23/65/93/399236593.db2.gz BMBXBUWZLKGAFS-NSHDSACASA-N 1 1 315.329 2.675 20 5 DFBDMO C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCOC1 ZINC000601139848 399239748 /nfs/dbraw/zinc/23/97/48/399239748.db2.gz NNNHTQJXHNIHDV-VXGBXAGGSA-N 1 1 301.346 2.792 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCC[C@H]3CCO)c2c1 ZINC000601150161 399241542 /nfs/dbraw/zinc/24/15/42/399241542.db2.gz XGOMOBKPGXVREZ-SMDDNHRTSA-N 1 1 301.346 2.528 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(F)(F)[C@H](CO)C3)c2c1 ZINC000601166405 399245680 /nfs/dbraw/zinc/24/56/80/399245680.db2.gz LBHOQFBTFZQBTQ-JTQLQIEISA-N 1 1 323.299 2.597 20 5 DFBDMO C[N@H+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000601170722 399246904 /nfs/dbraw/zinc/24/69/04/399246904.db2.gz COOFMEUEYMLGMU-UHFFFAOYSA-N 1 1 308.357 2.584 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC3(CF)CCOCC3)c2c1 ZINC000601171518 399247034 /nfs/dbraw/zinc/24/70/34/399247034.db2.gz NIBZHXFQGUYHST-UHFFFAOYSA-N 1 1 319.336 2.743 20 5 DFBDMO COC1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601173673 399247802 /nfs/dbraw/zinc/24/78/02/399247802.db2.gz HDBBXITWQBWJPK-UHFFFAOYSA-N 1 1 301.346 2.934 20 5 DFBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421000406 296222346 /nfs/dbraw/zinc/22/23/46/296222346.db2.gz COUOGUJDZBMHRF-IAQYHMDHSA-N 1 1 317.345 2.595 20 5 DFBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421000406 296222348 /nfs/dbraw/zinc/22/23/48/296222348.db2.gz COUOGUJDZBMHRF-IAQYHMDHSA-N 1 1 317.345 2.595 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000421472487 296258331 /nfs/dbraw/zinc/25/83/31/296258331.db2.gz FQNGRDMVOJGZJX-ZFWWWQNUSA-N 1 1 319.405 2.624 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000421476578 296258550 /nfs/dbraw/zinc/25/85/50/296258550.db2.gz JYAUIYVOUOVZHV-UONOGXRCSA-N 1 1 319.405 2.766 20 5 DFBDMO CC(C)[N@@H+](CCn1ccccc1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000608788778 399295090 /nfs/dbraw/zinc/29/50/90/399295090.db2.gz ZNQXOAINUAOWDX-UHFFFAOYSA-N 1 1 315.373 2.667 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601586999 399304113 /nfs/dbraw/zinc/30/41/13/399304113.db2.gz PKJFMQWZLJBDQU-NSHDSACASA-N 1 1 311.357 2.584 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609278950 399311819 /nfs/dbraw/zinc/31/18/19/399311819.db2.gz WKHPSPCXRGRZRL-HOTGVXAUSA-N 1 1 307.369 2.793 20 5 DFBDMO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])s2)C[C@H]1CC ZINC000609738810 399330239 /nfs/dbraw/zinc/33/02/39/399330239.db2.gz DCGQINFFVIJZHC-GFCCVEGCSA-N 1 1 313.423 2.593 20 5 DFBDMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])s2)C[C@H]1CC ZINC000609738810 399330240 /nfs/dbraw/zinc/33/02/40/399330240.db2.gz DCGQINFFVIJZHC-GFCCVEGCSA-N 1 1 313.423 2.593 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000609891912 399335434 /nfs/dbraw/zinc/33/54/34/399335434.db2.gz JTOLLJYDVKVJLY-UHFFFAOYSA-N 1 1 307.741 2.750 20 5 DFBDMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610080179 399341222 /nfs/dbraw/zinc/34/12/22/399341222.db2.gz QXNXDSAKSLJWLN-GDBMZVCRSA-N 1 1 322.405 2.989 20 5 DFBDMO Cc1sc(C(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000104573758 194016894 /nfs/dbraw/zinc/01/68/94/194016894.db2.gz COSVCYDCHCGBOR-UHFFFAOYSA-N 1 1 311.407 2.569 20 5 DFBDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000610161466 399344944 /nfs/dbraw/zinc/34/49/44/399344944.db2.gz VKALOJGQBVJLFQ-CQSZACIVSA-N 1 1 300.358 2.978 20 5 DFBDMO CC[N@@H+](CCC(=O)OC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104680018 194025742 /nfs/dbraw/zinc/02/57/42/194025742.db2.gz NAPYIUDBZIUAEB-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284787401 218178182 /nfs/dbraw/zinc/17/81/82/218178182.db2.gz NTYXCGLZNVLHEH-CVEARBPZSA-N 1 1 306.362 2.617 20 5 DFBDMO Cc1[nH+]ccn1[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000610430943 399366972 /nfs/dbraw/zinc/36/69/72/399366972.db2.gz KLBFVLHPFOATMX-ZDUSSCGKSA-N 1 1 301.350 2.645 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H]4COC[C@@H]4C3)o2)c1 ZINC000601976269 399372876 /nfs/dbraw/zinc/37/28/76/399372876.db2.gz PHDKMFGIQHJSSZ-OKILXGFUSA-N 1 1 314.341 2.933 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000610576037 399381499 /nfs/dbraw/zinc/38/14/99/399381499.db2.gz GOOLEPWUMOJAAD-UONOGXRCSA-N 1 1 304.394 2.751 20 5 DFBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC[NH+](C)CC1 ZINC000610581686 399383040 /nfs/dbraw/zinc/38/30/40/399383040.db2.gz KRIPAPXOWFFZSQ-UHFFFAOYSA-N 1 1 318.377 2.510 20 5 DFBDMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1C ZINC000602015817 399384709 /nfs/dbraw/zinc/38/47/09/399384709.db2.gz REBJHYPHCFVXRL-NSHDSACASA-N 1 1 317.345 2.571 20 5 DFBDMO C[N@@H+](CCC(=O)OC(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000285293481 218369546 /nfs/dbraw/zinc/36/95/46/218369546.db2.gz KLXPEJZOFMQXPE-UHFFFAOYSA-N 1 1 308.378 2.801 20 5 DFBDMO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285286603 218366537 /nfs/dbraw/zinc/36/65/37/218366537.db2.gz JYAZWHFZFXBLRB-ZDUSSCGKSA-N 1 1 321.421 2.762 20 5 DFBDMO CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285286603 218366538 /nfs/dbraw/zinc/36/65/38/218366538.db2.gz JYAZWHFZFXBLRB-ZDUSSCGKSA-N 1 1 321.421 2.762 20 5 DFBDMO CCCN1CCC([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109786121 194285653 /nfs/dbraw/zinc/28/56/53/194285653.db2.gz ICDZLDNUPQKFRE-UHFFFAOYSA-N 1 1 305.422 2.944 20 5 DFBDMO CCCN1CCC([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109786121 194285655 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O=[N+]([O-])c1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000058578242 184123395 /nfs/dbraw/zinc/12/33/95/184123395.db2.gz ZKRMPQPVNXVKJJ-UHFFFAOYSA-N 1 1 317.311 2.665 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](C1CC1)C1CCCCC1 ZINC000611184964 399443716 /nfs/dbraw/zinc/44/37/16/399443716.db2.gz LJKHKHASIZIFSY-UHFFFAOYSA-N 1 1 305.378 2.554 20 5 DFBDMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602437606 399444317 /nfs/dbraw/zinc/44/43/17/399444317.db2.gz ZQCYDDSCUQAQRK-OAHLLOKOSA-N 1 1 300.362 2.974 20 5 DFBDMO Cn1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])n1 ZINC000602429586 399441473 /nfs/dbraw/zinc/44/14/73/399441473.db2.gz HBIFFTLOBFXLDX-UHFFFAOYSA-N 1 1 316.336 2.757 20 5 DFBDMO Cn1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])n1 ZINC000602429586 399441475 /nfs/dbraw/zinc/44/14/75/399441475.db2.gz HBIFFTLOBFXLDX-UHFFFAOYSA-N 1 1 316.336 2.757 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)S1 ZINC000611265613 399453668 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Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCCC1(C)C ZINC000602755219 399557517 /nfs/dbraw/zinc/55/75/17/399557517.db2.gz BCZRIJKHSLDAQO-UHFFFAOYSA-N 1 1 320.393 2.899 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000602757041 399558198 /nfs/dbraw/zinc/55/81/98/399558198.db2.gz CUESGPPGDORADA-NSHDSACASA-N 1 1 306.341 2.932 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000602779864 399569869 /nfs/dbraw/zinc/56/98/69/399569869.db2.gz SYDCGCJJFZBLCN-LRDDRELGSA-N 1 1 300.362 2.793 20 5 DFBDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602783310 399571721 /nfs/dbraw/zinc/57/17/21/399571721.db2.gz KRTLXTMRZJKLIH-OLZOCXBDSA-N 1 1 312.439 2.706 20 5 DFBDMO Cc1cccc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000157759806 197213860 /nfs/dbraw/zinc/21/38/60/197213860.db2.gz UHIRCOANWOBPMI-MRXNPFEDSA-N 1 1 300.362 2.937 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000157554647 197196529 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DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000298074684 533138839 /nfs/dbraw/zinc/13/88/39/533138839.db2.gz DAIJSIWAYDBZJO-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155112447 197023347 /nfs/dbraw/zinc/02/33/47/197023347.db2.gz WSSOVLZZCGCGNF-SNVBAGLBSA-N 1 1 313.785 2.708 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000602857353 399605357 /nfs/dbraw/zinc/60/53/57/399605357.db2.gz VAUMPXPWUCWUDJ-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000602857353 399605360 /nfs/dbraw/zinc/60/53/60/399605360.db2.gz VAUMPXPWUCWUDJ-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO C[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000602875024 399612451 /nfs/dbraw/zinc/61/24/51/399612451.db2.gz XTMULBZVSANXLW-INIZCTEOSA-N 1 1 321.421 2.636 20 5 DFBDMO CN1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000602875024 399612453 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543146261 /nfs/dbraw/zinc/14/62/61/543146261.db2.gz MWMUGOWFJDPPDI-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000358971481 543271115 /nfs/dbraw/zinc/27/11/15/543271115.db2.gz VGZKJNTZVGGTTQ-INIZCTEOSA-N 1 1 323.356 2.635 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072664952 145189412 /nfs/dbraw/zinc/18/94/12/145189412.db2.gz QYRJMZUKZZTLKH-HNNXBMFYSA-N 1 1 312.373 2.985 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172036524 145288345 /nfs/dbraw/zinc/28/83/45/145288345.db2.gz YFRKHISWYASWOI-ODOQXGPZSA-N 1 1 310.781 2.841 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172036524 145288348 /nfs/dbraw/zinc/28/83/48/145288348.db2.gz YFRKHISWYASWOI-ODOQXGPZSA-N 1 1 310.781 2.841 20 5 DFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Cl)c1 ZINC000174821620 145392400 /nfs/dbraw/zinc/39/24/00/145392400.db2.gz AEMZRSMKEDUFMD-UHFFFAOYSA-N 1 1 308.769 2.967 20 5 DFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245674171 146092869 /nfs/dbraw/zinc/09/28/69/146092869.db2.gz FWZFZHABMDAJOT-WFASDCNBSA-N 1 1 318.377 2.543 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245888203 146106748 /nfs/dbraw/zinc/10/67/48/146106748.db2.gz DYGUYZFZTIGKRN-DOMZBBRYSA-N 1 1 305.378 2.646 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000443510297 543357655 /nfs/dbraw/zinc/35/76/55/543357655.db2.gz NMZVNCSTKWFTNN-CYBMUJFWSA-N 1 1 324.450 3.508 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](CO)[C@@H](c3ccsc3)C2)cs1 ZINC000249546324 146200659 /nfs/dbraw/zinc/20/06/59/146200659.db2.gz GIMNFOSQMBSFOA-QWHCGFSZSA-N 1 1 324.427 2.926 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000255148022 146231170 /nfs/dbraw/zinc/23/11/70/146231170.db2.gz MVHUFCKIOZPZAS-HSBHDXMMSA-N 1 1 316.279 2.607 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000255148022 146231172 /nfs/dbraw/zinc/23/11/72/146231172.db2.gz MVHUFCKIOZPZAS-HSBHDXMMSA-N 1 1 316.279 2.607 20 5 DFBDMO C[NH2+]CCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000262026113 146323455 /nfs/dbraw/zinc/32/34/55/146323455.db2.gz ZNPOBHDTGALONQ-UHFFFAOYSA-N 1 1 318.377 2.558 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354411991 147026796 /nfs/dbraw/zinc/02/67/96/147026796.db2.gz WNYIAEOERSBUIF-FZMZJTMJSA-N 1 1 323.368 2.679 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354422587 147029609 /nfs/dbraw/zinc/02/96/09/147029609.db2.gz GSQWGISGUKZTCJ-GXTWGEPZSA-N 1 1 319.405 2.848 20 5 DFBDMO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355330486 147267341 /nfs/dbraw/zinc/26/73/41/147267341.db2.gz DFARIHDTRWKRCK-OAHLLOKOSA-N 1 1 314.389 2.844 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000355578043 147371365 /nfs/dbraw/zinc/37/13/65/147371365.db2.gz FFNYCBQGAKNQDQ-OLZOCXBDSA-N 1 1 320.393 2.816 20 5 DFBDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350089447 286002307 /nfs/dbraw/zinc/00/23/07/286002307.db2.gz AEXSEJFTDWBEEF-INIZCTEOSA-N 1 1 314.389 2.807 20 5 DFBDMO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000357684956 148084557 /nfs/dbraw/zinc/08/45/57/148084557.db2.gz YAQDCSAHDLBINV-ZYHUDNBSSA-N 1 1 306.366 2.507 20 5 DFBDMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000357684953 148085336 /nfs/dbraw/zinc/08/53/36/148085336.db2.gz YAQDCSAHDLBINV-JQWIXIFHSA-N 1 1 306.366 2.507 20 5 DFBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@H](OCC)C1(C)C ZINC000357918174 148175464 /nfs/dbraw/zinc/17/54/64/148175464.db2.gz BQPOPIYSWNWXGD-KBPBESRZSA-N 1 1 324.425 2.707 20 5 DFBDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000357927994 148179068 /nfs/dbraw/zinc/17/90/68/148179068.db2.gz JUKUTVIKKRRNSA-KGLIPLIRSA-N 1 1 324.425 2.707 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000350552901 286057300 /nfs/dbraw/zinc/05/73/00/286057300.db2.gz HXBGYYKNQMXLRV-LBPRGKRZSA-N 1 1 308.382 2.753 20 5 DFBDMO CCc1ccc([C@@H](CO)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000359626246 148710438 /nfs/dbraw/zinc/71/04/38/148710438.db2.gz QQYZUZXKNDIPNP-MRXNPFEDSA-N 1 1 300.358 2.980 20 5 DFBDMO Cc1ccc(-c2noc([C@@H]3C[N@H+](C)C[C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000361023329 149011282 /nfs/dbraw/zinc/01/12/82/149011282.db2.gz UYZHCGMWKCOHFV-CMPLNLGQSA-N 1 1 302.334 2.618 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000361470681 149123843 /nfs/dbraw/zinc/12/38/43/149123843.db2.gz UTASGBSVVINRKF-KBPBESRZSA-N 1 1 322.405 2.845 20 5 DFBDMO CCOc1cc(C[N@@H+](CC2CCC2)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000361500189 149131410 /nfs/dbraw/zinc/13/14/10/149131410.db2.gz BBXYLUNOAWUWHN-ZDUSSCGKSA-N 1 1 322.405 2.976 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361591495 149161413 /nfs/dbraw/zinc/16/14/13/149161413.db2.gz NPRBUCHOUBPSJR-VXGBXAGGSA-N 1 1 320.315 2.844 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)s1 ZINC000350886440 286097783 /nfs/dbraw/zinc/09/77/83/286097783.db2.gz SILDXJHPGGKXBZ-QMMMGPOBSA-N 1 1 317.330 2.633 20 5 DFBDMO Cc1ccc(CNc2[nH]c3ccc(F)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000362650292 149333304 /nfs/dbraw/zinc/33/33/04/149333304.db2.gz QVCIHVPEJZSSNB-UHFFFAOYSA-N 1 1 300.293 2.953 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000362912370 149394676 /nfs/dbraw/zinc/39/46/76/149394676.db2.gz YHGSUQURQBEYQL-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000351327459 286121171 /nfs/dbraw/zinc/12/11/71/286121171.db2.gz LTEHUKLEFDLXKK-HUBLWGQQSA-N 1 1 303.362 2.715 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000351327459 286121172 /nfs/dbraw/zinc/12/11/72/286121172.db2.gz LTEHUKLEFDLXKK-HUBLWGQQSA-N 1 1 303.362 2.715 20 5 DFBDMO Cc1ccc([C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000371752949 150090880 /nfs/dbraw/zinc/09/08/80/150090880.db2.gz LMJGCKMVHYOFSN-AWEZNQCLSA-N 1 1 300.362 2.626 20 5 DFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000372056568 150131015 /nfs/dbraw/zinc/13/10/15/150131015.db2.gz RJFSIPGEBKFRCY-WFASDCNBSA-N 1 1 314.389 2.786 20 5 DFBDMO Cc1sc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000372949041 150205949 /nfs/dbraw/zinc/20/59/49/150205949.db2.gz MRXWSYZFQOFJPL-PWSUYJOCSA-N 1 1 323.418 2.664 20 5 DFBDMO Cc1sc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000372949041 150205952 /nfs/dbraw/zinc/20/59/52/150205952.db2.gz MRXWSYZFQOFJPL-PWSUYJOCSA-N 1 1 323.418 2.664 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000351619762 286171648 /nfs/dbraw/zinc/17/16/48/286171648.db2.gz LFHRXUMJYPQWSJ-WDEREUQCSA-N 1 1 324.356 2.680 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000373767844 150254862 /nfs/dbraw/zinc/25/48/62/150254862.db2.gz CKBHSJSXEMRPIJ-HUUCEWRRSA-N 1 1 306.362 2.747 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374197064 150320812 /nfs/dbraw/zinc/32/08/12/150320812.db2.gz AXOFVDKCZZLOHH-UHFFFAOYSA-N 1 1 304.325 2.837 20 5 DFBDMO CCOc1cc(C[N@@H+]2CCC[C@H]3COC[C@H]32)ccc1[N+](=O)[O-] ZINC000374374612 150355737 /nfs/dbraw/zinc/35/57/37/150355737.db2.gz NJEZSXDFZHANBG-DZGCQCFKSA-N 1 1 306.362 2.604 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H]3COC[C@H]32)ccc1[N+](=O)[O-] ZINC000374374612 150355739 /nfs/dbraw/zinc/35/57/39/150355739.db2.gz NJEZSXDFZHANBG-DZGCQCFKSA-N 1 1 306.362 2.604 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374530774 150374409 /nfs/dbraw/zinc/37/44/09/150374409.db2.gz OKVKGTXWUFTKFX-NSHDSACASA-N 1 1 321.768 2.746 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374530774 150374410 /nfs/dbraw/zinc/37/44/10/150374410.db2.gz OKVKGTXWUFTKFX-NSHDSACASA-N 1 1 321.768 2.746 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOCC[C@@H]1C ZINC000374991014 150379818 /nfs/dbraw/zinc/37/98/18/150379818.db2.gz WJWHPHVRQYUEDO-ZDUSSCGKSA-N 1 1 308.378 2.993 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOCC[C@@H]1C ZINC000374991014 150379821 /nfs/dbraw/zinc/37/98/21/150379821.db2.gz WJWHPHVRQYUEDO-ZDUSSCGKSA-N 1 1 308.378 2.993 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000351937097 286249868 /nfs/dbraw/zinc/24/98/68/286249868.db2.gz RYGXIIHXWZSVDG-ZIAGYGMSSA-N 1 1 321.421 2.906 20 5 DFBDMO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351973805 286258223 /nfs/dbraw/zinc/25/82/23/286258223.db2.gz DQVVKZZPUVWUSS-GOEBONIOSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351973805 286258224 /nfs/dbraw/zinc/25/82/24/286258224.db2.gz DQVVKZZPUVWUSS-GOEBONIOSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000351978485 286259251 /nfs/dbraw/zinc/25/92/51/286259251.db2.gz UIXIJPVCIFOQMB-UHFFFAOYSA-N 1 1 321.421 2.767 20 5 DFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360079 286353079 /nfs/dbraw/zinc/35/30/79/286353079.db2.gz LOKAEPJQRLXRHS-WFASDCNBSA-N 1 1 314.389 2.919 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000272502265 292295539 /nfs/dbraw/zinc/29/55/39/292295539.db2.gz NYTNJVIAGGWGNW-HIFRSBDPSA-N 1 1 317.389 2.661 20 5 DFBDMO C[C@H](NC(=O)[C@@H]1CCCc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000353102669 286551600 /nfs/dbraw/zinc/55/16/00/286551600.db2.gz RWUIULIITYDKKH-FZMZJTMJSA-N 1 1 314.345 2.546 20 5 DFBDMO Cc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246322594 158085734 /nfs/dbraw/zinc/08/57/34/158085734.db2.gz FQUUDZLHGUATBF-OCCSQVGLSA-N 1 1 320.393 2.753 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246473095 158092219 /nfs/dbraw/zinc/09/22/19/158092219.db2.gz CVYQPZKQVQCPDO-SUMWQHHRSA-N 1 1 320.389 2.994 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000246958226 158108794 /nfs/dbraw/zinc/10/87/94/158108794.db2.gz IJSSNWDCISYTOM-IUODEOHRSA-N 1 1 318.377 2.543 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248452959 158177977 /nfs/dbraw/zinc/17/79/77/158177977.db2.gz YXJODQWBSUPICY-FZMZJTMJSA-N 1 1 309.797 2.917 20 5 DFBDMO CCOC(=O)c1coc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000355158847 158287177 /nfs/dbraw/zinc/28/71/77/158287177.db2.gz HQINJXPAVVSDNG-UHFFFAOYSA-N 1 1 318.329 2.963 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000355207605 158298243 /nfs/dbraw/zinc/29/82/43/158298243.db2.gz OMCOFPXRYZVNHF-LSDHHAIUSA-N 1 1 320.389 2.852 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000355207599 158299157 /nfs/dbraw/zinc/29/91/57/158299157.db2.gz OMCOFPXRYZVNHF-CABCVRRESA-N 1 1 320.389 2.852 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000130990558 196129644 /nfs/dbraw/zinc/12/96/44/196129644.db2.gz YUMPIIHPBHKHEX-ZDUSSCGKSA-N 1 1 319.386 2.655 20 5 DFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000130989982 196130118 /nfs/dbraw/zinc/13/01/18/196130118.db2.gz FSVBKJUCJUXUOX-OYMPBJRDSA-N 1 1 312.435 2.615 20 5 DFBDMO CC[C@H](NC(=O)C[N@@H+](CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000133166437 196318118 /nfs/dbraw/zinc/31/81/18/196318118.db2.gz DWZKUDPOEKSDRZ-HNNXBMFYSA-N 1 1 305.378 2.646 20 5 DFBDMO Cc1cc(NC(C)(C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000302276226 230206433 /nfs/dbraw/zinc/20/64/33/230206433.db2.gz SZQCPGUHXLUCFV-UHFFFAOYSA-N 1 1 320.437 2.731 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007386149 425642488 /nfs/dbraw/zinc/64/24/88/425642488.db2.gz LKFVOBLZFLHFEG-XQQFMLRXSA-N 1 1 305.378 2.900 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000025545248 425806685 /nfs/dbraw/zinc/80/66/85/425806685.db2.gz HWBXUBTZNFRSHS-ZDUSSCGKSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000025545253 425807268 /nfs/dbraw/zinc/80/72/68/425807268.db2.gz HWBXUBTZNFRSHS-CYBMUJFWSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046988458 425867457 /nfs/dbraw/zinc/86/74/57/425867457.db2.gz AGEZCJVCXOYFPK-LBPRGKRZSA-N 1 1 309.366 2.572 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000264040802 268172277 /nfs/dbraw/zinc/17/22/77/268172277.db2.gz SALATGBDRFEKHV-INIZCTEOSA-N 1 1 316.357 2.639 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1O ZINC000270861850 268227779 /nfs/dbraw/zinc/22/77/79/268227779.db2.gz IFURDXLXIJWDGS-SWLSCSKDSA-N 1 1 308.378 2.585 20 5 DFBDMO COC(=O)c1ccoc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282433246 268272113 /nfs/dbraw/zinc/27/21/13/268272113.db2.gz KGTIKIKHECOZMB-UHFFFAOYSA-N 1 1 318.329 2.649 20 5 DFBDMO COC(=O)c1ccoc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282433246 268272115 /nfs/dbraw/zinc/27/21/15/268272115.db2.gz KGTIKIKHECOZMB-UHFFFAOYSA-N 1 1 318.329 2.649 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000301940479 268323545 /nfs/dbraw/zinc/32/35/45/268323545.db2.gz UIBCCYRLWXFWOT-LBPRGKRZSA-N 1 1 323.393 2.898 20 5 DFBDMO CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125079105 425952274 /nfs/dbraw/zinc/95/22/74/425952274.db2.gz HFMHESWSXHPEGB-SNVBAGLBSA-N 1 1 311.769 2.919 20 5 DFBDMO CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000125079105 425952277 /nfs/dbraw/zinc/95/22/77/425952277.db2.gz HFMHESWSXHPEGB-SNVBAGLBSA-N 1 1 311.769 2.919 20 5 DFBDMO Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161911779 426045457 /nfs/dbraw/zinc/04/54/57/426045457.db2.gz SUCCPFOOAGGUTE-CZUORRHYSA-N 1 1 316.405 2.751 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000162187194 426055357 /nfs/dbraw/zinc/05/53/57/426055357.db2.gz COECDBTUZFGOLX-CQSZACIVSA-N 1 1 319.405 2.611 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000072009965 426007231 /nfs/dbraw/zinc/00/72/31/426007231.db2.gz XVCYJJVCZZZEDM-AWEZNQCLSA-N 1 1 319.405 2.979 20 5 DFBDMO CC(C)C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072492049 426016643 /nfs/dbraw/zinc/01/66/43/426016643.db2.gz WXSXQRBBKHQNJD-ZDUSSCGKSA-N 1 1 305.378 2.901 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000072686916 426019878 /nfs/dbraw/zinc/01/98/78/426019878.db2.gz ICFVSANUYBHYRX-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114483459 426137918 /nfs/dbraw/zinc/13/79/18/426137918.db2.gz LMWHZFDVETWZOQ-INIZCTEOSA-N 1 1 316.361 2.924 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000112465397 426080149 /nfs/dbraw/zinc/08/01/49/426080149.db2.gz QFZRUZQLLLZUNR-UHFFFAOYSA-N 1 1 308.382 2.757 20 5 DFBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000130106365 426148356 /nfs/dbraw/zinc/14/83/56/426148356.db2.gz VWWVLIRRZTXPII-UHFFFAOYSA-N 1 1 316.361 2.618 20 5 DFBDMO CC(C)C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000130259835 426152096 /nfs/dbraw/zinc/15/20/96/426152096.db2.gz BYXISGDZSFUTEO-ZBFHGGJFSA-N 1 1 322.405 2.845 20 5 DFBDMO CO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000170917296 426159090 /nfs/dbraw/zinc/15/90/90/426159090.db2.gz JIDHWDRIBGFNCK-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO CO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000170917296 426159092 /nfs/dbraw/zinc/15/90/92/426159092.db2.gz JIDHWDRIBGFNCK-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171248593 426178877 /nfs/dbraw/zinc/17/88/77/426178877.db2.gz FWJWMGPPYDXWOC-MJBXVCDLSA-N 1 1 319.405 2.815 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650964 426179832 /nfs/dbraw/zinc/17/98/32/426179832.db2.gz QTLSGOKLPARVNT-JTQLQIEISA-N 1 1 313.785 2.708 20 5 DFBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000133529296 426180754 /nfs/dbraw/zinc/18/07/54/426180754.db2.gz RELDRTQCXSEHRY-VHSXEESVSA-N 1 1 306.322 2.540 20 5 DFBDMO CCN1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095572 426220070 /nfs/dbraw/zinc/22/00/70/426220070.db2.gz QXFMOXSHNXMBGY-PBHICJAKSA-N 1 1 321.421 2.636 20 5 DFBDMO CCN1CC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095572 426220073 /nfs/dbraw/zinc/22/00/73/426220073.db2.gz QXFMOXSHNXMBGY-PBHICJAKSA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@@H+]1CC[C@H](N(C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095572 426220075 /nfs/dbraw/zinc/22/00/75/426220075.db2.gz QXFMOXSHNXMBGY-PBHICJAKSA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095572 426220079 /nfs/dbraw/zinc/22/00/79/426220079.db2.gz QXFMOXSHNXMBGY-PBHICJAKSA-N 1 1 321.421 2.636 20 5 DFBDMO C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173819816 426249390 /nfs/dbraw/zinc/24/93/90/426249390.db2.gz WNZXYEZBWVZWTF-GFCCVEGCSA-N 1 1 305.378 2.504 20 5 DFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](C)CO ZINC000339210572 268776607 /nfs/dbraw/zinc/77/66/07/268776607.db2.gz MRNMHGGELGVBQR-VIFPVBQESA-N 1 1 306.284 2.816 20 5 DFBDMO C[N@@H+](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000087304916 426269925 /nfs/dbraw/zinc/26/99/25/426269925.db2.gz LXIWTCPUWNMGEZ-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO C[N@@H+](CCC1CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000135258289 426210558 /nfs/dbraw/zinc/21/05/58/426210558.db2.gz UQRGZCGMFMRGGC-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO C[N@@H+](CCC1CC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135253865 426211104 /nfs/dbraw/zinc/21/11/04/426211104.db2.gz KDIRGVGZWCDWFL-UHFFFAOYSA-N 1 1 311.769 2.919 20 5 DFBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000117342022 426212103 /nfs/dbraw/zinc/21/21/03/426212103.db2.gz SOYPUTRTHLTODL-UHFFFAOYSA-N 1 1 321.377 2.871 20 5 DFBDMO Cc1cc(NC(=O)NCC[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000153621949 426395766 /nfs/dbraw/zinc/39/57/66/426395766.db2.gz NHXIWRFOIKYUQK-UHFFFAOYSA-N 1 1 320.393 2.899 20 5 DFBDMO CCCNC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC ZINC000092192082 426348533 /nfs/dbraw/zinc/34/85/33/426348533.db2.gz IXLBILBCMSABAN-VQHVLOKHSA-N 1 1 319.405 2.846 20 5 DFBDMO CCCNC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC ZINC000092192082 426348536 /nfs/dbraw/zinc/34/85/36/426348536.db2.gz IXLBILBCMSABAN-VQHVLOKHSA-N 1 1 319.405 2.846 20 5 DFBDMO NC(=O)[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000092735337 426350946 /nfs/dbraw/zinc/35/09/46/426350946.db2.gz SRSDRDBIRRKXJI-IBGZPJMESA-N 1 1 320.392 2.679 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000152771255 426353153 /nfs/dbraw/zinc/35/31/53/426353153.db2.gz NICYFESTAXUWQE-HIFRSBDPSA-N 1 1 306.362 2.604 20 5 DFBDMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176211787 426360958 /nfs/dbraw/zinc/36/09/58/426360958.db2.gz ZEQTYMZMHXDOHQ-JTQLQIEISA-N 1 1 310.304 2.763 20 5 DFBDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176211787 426360961 /nfs/dbraw/zinc/36/09/61/426360961.db2.gz ZEQTYMZMHXDOHQ-JTQLQIEISA-N 1 1 310.304 2.763 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)n1 ZINC000176211410 426361083 /nfs/dbraw/zinc/36/10/83/426361083.db2.gz YFUMNHDSGJNUIO-OAHLLOKOSA-N 1 1 318.352 2.638 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000176215967 426361177 /nfs/dbraw/zinc/36/11/77/426361177.db2.gz BVRQOMQVKROWQG-INIZCTEOSA-N 1 1 312.373 2.943 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000176246617 426363617 /nfs/dbraw/zinc/36/36/17/426363617.db2.gz USRUGCHXKPQFDM-AWEZNQCLSA-N 1 1 318.402 2.581 20 5 DFBDMO Cc1cc[nH+]c(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000153066693 426369310 /nfs/dbraw/zinc/36/93/10/426369310.db2.gz AMBFHSQIGQPMRJ-UHFFFAOYSA-N 1 1 316.336 2.764 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153107584 426371578 /nfs/dbraw/zinc/37/15/78/426371578.db2.gz MBDOEGIJIAKKTM-MLGOLLRUSA-N 1 1 306.362 2.604 20 5 DFBDMO O=C1OCC[C@H]1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153292026 426378963 /nfs/dbraw/zinc/37/89/63/426378963.db2.gz BGBLUAMFEXOVAI-CYBMUJFWSA-N 1 1 304.346 2.512 20 5 DFBDMO Cc1cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122529173 426380376 /nfs/dbraw/zinc/38/03/76/426380376.db2.gz PCYCUGHJHOBHBE-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000153357658 426381219 /nfs/dbraw/zinc/38/12/19/426381219.db2.gz CGEXYKPDMSBPTQ-IUODEOHRSA-N 1 1 318.377 2.543 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000122586746 426383254 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2.757 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)(O)CC1 ZINC000177302805 426465467 /nfs/dbraw/zinc/46/54/67/426465467.db2.gz FLUSALJQGFZMCZ-UHFFFAOYSA-N 1 1 308.378 2.729 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177835576 426528531 /nfs/dbraw/zinc/52/85/31/426528531.db2.gz MXECAUZICARAAN-DZGCQCFKSA-N 1 1 319.405 2.955 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195507546 426530483 /nfs/dbraw/zinc/53/04/83/426530483.db2.gz USEMZIIQJGDCLU-UHFFFAOYSA-N 1 1 300.362 2.740 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCSC3(CCOCC3)C2)cs1 ZINC000186492874 426539008 /nfs/dbraw/zinc/53/90/08/426539008.db2.gz HXEBVEJYSYZTPB-UHFFFAOYSA-N 1 1 314.432 2.754 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC3(CCOCC3)C2)cs1 ZINC000186492874 426539014 /nfs/dbraw/zinc/53/90/14/426539014.db2.gz HXEBVEJYSYZTPB-UHFFFAOYSA-N 1 1 314.432 2.754 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272534484 426551075 /nfs/dbraw/zinc/55/10/75/426551075.db2.gz BLDBADNZQHSXAK-XHDPSFHLSA-N 1 1 309.797 2.774 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000221643800 426578121 /nfs/dbraw/zinc/57/81/21/426578121.db2.gz JKLCSMPFVCXPIF-UHFFFAOYSA-N 1 1 313.785 2.708 20 5 DFBDMO CC(=O)c1ccc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000265224731 426600773 /nfs/dbraw/zinc/60/07/73/426600773.db2.gz PEVPJZVPUDNOGF-CYBMUJFWSA-N 1 1 305.378 2.575 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000273383188 426653632 /nfs/dbraw/zinc/65/36/32/426653632.db2.gz CHOVKTCBGVQMKF-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000273383188 426653635 /nfs/dbraw/zinc/65/36/35/426653635.db2.gz CHOVKTCBGVQMKF-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000273383188 426653639 /nfs/dbraw/zinc/65/36/39/426653639.db2.gz CHOVKTCBGVQMKF-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000273383188 426653642 /nfs/dbraw/zinc/65/36/42/426653642.db2.gz CHOVKTCBGVQMKF-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000273383188 426653646 /nfs/dbraw/zinc/65/36/46/426653646.db2.gz CHOVKTCBGVQMKF-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO COc1ccc(C[NH2+][C@@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000187565001 426671984 /nfs/dbraw/zinc/67/19/84/426671984.db2.gz YPNFAYHHUXBNBG-AWEZNQCLSA-N 1 1 321.421 2.958 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273488083 426672180 /nfs/dbraw/zinc/67/21/80/426672180.db2.gz RXTNGTYZDCJNOU-LLVKDONJSA-N 1 1 324.356 2.730 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000178730105 426684434 /nfs/dbraw/zinc/68/44/34/426684434.db2.gz UNVBKODUXFIOLM-SNVBAGLBSA-N 1 1 305.309 2.988 20 5 DFBDMO COc1ccc(C[N@@H+](CC2CCC2)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000280639490 426622496 /nfs/dbraw/zinc/62/24/96/426622496.db2.gz YDUMMBXXRNLOGF-GFCCVEGCSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1ccc(C[N@@H+](CC2CCC2)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000280639493 426623909 /nfs/dbraw/zinc/62/39/09/426623909.db2.gz YDUMMBXXRNLOGF-LBPRGKRZSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000265925988 426712154 /nfs/dbraw/zinc/71/21/54/426712154.db2.gz ZGELWMVPWXTFMZ-CYBMUJFWSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000265925988 426712159 /nfs/dbraw/zinc/71/21/59/426712159.db2.gz ZGELWMVPWXTFMZ-CYBMUJFWSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000178781448 426693509 /nfs/dbraw/zinc/69/35/09/426693509.db2.gz ASBVDWGSGIXGQI-UKRRQHHQSA-N 1 1 316.405 2.751 20 5 DFBDMO CC(C)OCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265843922 426698776 /nfs/dbraw/zinc/69/87/76/426698776.db2.gz GYNMWVBAMSVXSU-CYBMUJFWSA-N 1 1 323.393 2.669 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000290499414 426776998 /nfs/dbraw/zinc/77/69/98/426776998.db2.gz PAYQTLLWFFVAOD-UHFFFAOYSA-N 1 1 313.348 2.676 20 5 DFBDMO Cc1ccc(C[N@H+]2CCCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000290499414 426777003 /nfs/dbraw/zinc/77/70/03/426777003.db2.gz PAYQTLLWFFVAOD-UHFFFAOYSA-N 1 1 313.348 2.676 20 5 DFBDMO COc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290518355 426782898 /nfs/dbraw/zinc/78/28/98/426782898.db2.gz CBKUDNNKNXAIFF-QWRGUYRKSA-N 1 1 321.377 2.649 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000188123778 426725210 /nfs/dbraw/zinc/72/52/10/426725210.db2.gz UXPOXEQRSUGZDO-AWEZNQCLSA-N 1 1 317.389 2.638 20 5 DFBDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266547855 426736392 /nfs/dbraw/zinc/73/63/92/426736392.db2.gz SKDYZYTXUDDVIH-ZIAGYGMSSA-N 1 1 319.405 2.894 20 5 DFBDMO CC(C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245496465 426742824 /nfs/dbraw/zinc/74/28/24/426742824.db2.gz RLILVYVRQFDUCF-GOEBONIOSA-N 1 1 322.405 2.703 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000274344905 426749060 /nfs/dbraw/zinc/74/90/60/426749060.db2.gz JDMPDRFGDKWXQG-UHFFFAOYSA-N 1 1 318.295 2.792 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000267037553 426814315 /nfs/dbraw/zinc/81/43/15/426814315.db2.gz MAOFYEMAGDEVGS-ZDUSSCGKSA-N 1 1 307.394 2.519 20 5 DFBDMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccco2)C1 ZINC000246277968 426817564 /nfs/dbraw/zinc/81/75/64/426817564.db2.gz WOQQGEOJSXOIIJ-QWHCGFSZSA-N 1 1 304.350 2.858 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000290748075 426830215 /nfs/dbraw/zinc/83/02/15/426830215.db2.gz IGLIONZSTJJHQJ-JKSUJKDBSA-N 1 1 302.374 2.893 20 5 DFBDMO CC(=O)c1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290764904 426832960 /nfs/dbraw/zinc/83/29/60/426832960.db2.gz KNTQNMAUARZJNP-GXFFZTMASA-N 1 1 303.362 2.835 20 5 DFBDMO C[C@H]1C[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C[N@H+]1C1CC1 ZINC000290785760 426839052 /nfs/dbraw/zinc/83/90/52/426839052.db2.gz NQXIZUQOSALYNL-WDEREUQCSA-N 1 1 302.378 2.600 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(CF)CC3)o2)cc1 ZINC000295148981 426840315 /nfs/dbraw/zinc/84/03/15/426840315.db2.gz NGVRJFCZEUAZLR-UHFFFAOYSA-N 1 1 320.324 2.826 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000189347951 426842167 /nfs/dbraw/zinc/84/21/67/426842167.db2.gz BXZBMSSBVUMDBP-BLLLJJGKSA-N 1 1 308.378 2.850 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000189347951 426842173 /nfs/dbraw/zinc/84/21/73/426842173.db2.gz BXZBMSSBVUMDBP-BLLLJJGKSA-N 1 1 308.378 2.850 20 5 DFBDMO CC(C)N1CCC([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337682837 426920190 /nfs/dbraw/zinc/92/01/90/426920190.db2.gz NZRBXIODDDZJKI-UHFFFAOYSA-N 1 1 321.421 2.778 20 5 DFBDMO CC(C)N1CCC([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337682837 426920196 /nfs/dbraw/zinc/92/01/96/426920196.db2.gz NZRBXIODDDZJKI-UHFFFAOYSA-N 1 1 321.421 2.778 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CF)CC1 ZINC000295196346 426859060 /nfs/dbraw/zinc/85/90/60/426859060.db2.gz UOYSMCAXDCQCQP-NSHDSACASA-N 1 1 309.341 2.603 20 5 DFBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H](O)C(F)(F)F ZINC000189470636 426863289 /nfs/dbraw/zinc/86/32/89/426863289.db2.gz XTVZINWEIXZRHO-LBPRGKRZSA-N 1 1 306.284 2.648 20 5 DFBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H](O)C(F)(F)F ZINC000189470636 426863293 /nfs/dbraw/zinc/86/32/93/426863293.db2.gz XTVZINWEIXZRHO-LBPRGKRZSA-N 1 1 306.284 2.648 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000267298752 426866588 /nfs/dbraw/zinc/86/65/88/426866588.db2.gz UCZVXNOGXONZJD-MNOVXSKESA-N 1 1 310.785 2.706 20 5 DFBDMO COc1ccc(C[NH2+][C@H](C)c2nccnc2C)cc1[N+](=O)[O-] ZINC000275908831 426946393 /nfs/dbraw/zinc/94/63/93/426946393.db2.gz UDJQSPDULLPWEA-LLVKDONJSA-N 1 1 302.334 2.553 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1F ZINC000283106426 426953737 /nfs/dbraw/zinc/95/37/37/426953737.db2.gz MBVJDGRHBLFUND-LBPRGKRZSA-N 1 1 304.325 2.837 20 5 DFBDMO CC(C)([NH2+]Cc1cc(C(N)=O)cs1)c1ccccc1[N+](=O)[O-] ZINC000291710762 426962274 /nfs/dbraw/zinc/96/22/74/426962274.db2.gz LJETVEFRDVBHOL-UHFFFAOYSA-N 1 1 319.386 2.780 20 5 DFBDMO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000189868146 426970724 /nfs/dbraw/zinc/97/07/24/426970724.db2.gz ORZDQBTVIRBSHT-VUDGCMKMSA-N 1 1 318.295 2.853 20 5 DFBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000189868146 426970730 /nfs/dbraw/zinc/97/07/30/426970730.db2.gz ORZDQBTVIRBSHT-VUDGCMKMSA-N 1 1 318.295 2.853 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H]1C ZINC000248343198 426991085 /nfs/dbraw/zinc/99/10/85/426991085.db2.gz KAHTVVZBYJFVQW-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248343568 426991296 /nfs/dbraw/zinc/99/12/96/426991296.db2.gz KMDTYDAIZOBTDC-SRVKXCTJSA-N 1 1 321.377 2.661 20 5 DFBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000295526128 426992795 /nfs/dbraw/zinc/99/27/95/426992795.db2.gz PTUVXEGYFIFGJB-GFCCVEGCSA-N 1 1 319.361 2.719 20 5 DFBDMO O=[N+]([O-])c1cc(Cn2c[nH+]c3c2CCCC3)c2c(c1)COCO2 ZINC000295397553 426940596 /nfs/dbraw/zinc/94/05/96/426940596.db2.gz VTVMJWHEYYLUFA-UHFFFAOYSA-N 1 1 315.329 2.585 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291662509 426942905 /nfs/dbraw/zinc/94/29/05/426942905.db2.gz FWGHHZDBUWHHFJ-CMPLNLGQSA-N 1 1 300.305 2.605 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291662509 426942912 /nfs/dbraw/zinc/94/29/12/426942912.db2.gz FWGHHZDBUWHHFJ-CMPLNLGQSA-N 1 1 300.305 2.605 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)cc1F ZINC000283067049 426945065 /nfs/dbraw/zinc/94/50/65/426945065.db2.gz JWDGDCFCNHJDCM-ZDUSSCGKSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)cc1F ZINC000283067049 426945073 /nfs/dbraw/zinc/94/50/73/426945073.db2.gz JWDGDCFCNHJDCM-ZDUSSCGKSA-N 1 1 317.320 2.782 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000248888104 427059074 /nfs/dbraw/zinc/05/90/74/427059074.db2.gz IHRWVLCUHRQCJQ-JSGCOSHPSA-N 1 1 306.362 2.534 20 5 DFBDMO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000182347195 427060492 /nfs/dbraw/zinc/06/04/92/427060492.db2.gz CVPJYIGLHAQVQJ-UHFFFAOYSA-N 1 1 311.769 2.526 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337871001 427010425 /nfs/dbraw/zinc/01/04/25/427010425.db2.gz NRBLGOSLSWYOEV-LSDHHAIUSA-N 1 1 319.405 2.710 20 5 DFBDMO CC[N@H+]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291860290 427010447 /nfs/dbraw/zinc/01/04/47/427010447.db2.gz HTRPKPVZVVOQMZ-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO Cc1nc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268486242 427030644 /nfs/dbraw/zinc/03/06/44/427030644.db2.gz MRPLQNSCPGUILW-BETUJISGSA-N 1 1 322.409 2.600 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268510365 427037538 /nfs/dbraw/zinc/03/75/38/427037538.db2.gz UOSSGXWOSYELPS-SMDDNHRTSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268510365 427037547 /nfs/dbraw/zinc/03/75/47/427037547.db2.gz UOSSGXWOSYELPS-SMDDNHRTSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268510365 427037556 /nfs/dbraw/zinc/03/75/56/427037556.db2.gz UOSSGXWOSYELPS-SMDDNHRTSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268510365 427037560 /nfs/dbraw/zinc/03/75/60/427037560.db2.gz UOSSGXWOSYELPS-SMDDNHRTSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268510365 427037565 /nfs/dbraw/zinc/03/75/65/427037565.db2.gz UOSSGXWOSYELPS-SMDDNHRTSA-N 1 1 315.377 2.962 20 5 DFBDMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130621 427086070 /nfs/dbraw/zinc/08/60/70/427086070.db2.gz JCIFTZJCZKVDHJ-TVQRCGJNSA-N 1 1 318.295 2.959 20 5 DFBDMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130621 427086074 /nfs/dbraw/zinc/08/60/74/427086074.db2.gz JCIFTZJCZKVDHJ-TVQRCGJNSA-N 1 1 318.295 2.959 20 5 DFBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000249531793 427125202 /nfs/dbraw/zinc/12/52/02/427125202.db2.gz ZMASXSPBCPEROE-CHWSQXEVSA-N 1 1 320.393 2.837 20 5 DFBDMO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268839820 427133947 /nfs/dbraw/zinc/13/39/47/427133947.db2.gz OKMJYQCPCDGNMT-GXTWGEPZSA-N 1 1 305.378 2.524 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000182769348 427144298 /nfs/dbraw/zinc/14/42/98/427144298.db2.gz LUWLNEYREIMQOU-ZDUSSCGKSA-N 1 1 320.393 2.709 20 5 DFBDMO Cc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000292265465 427150895 /nfs/dbraw/zinc/15/08/95/427150895.db2.gz LCJIOJOONISVMC-LBPRGKRZSA-N 1 1 304.394 2.609 20 5 DFBDMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000162497311 271085341 /nfs/dbraw/zinc/08/53/41/271085341.db2.gz FKMOVQNCHNUFJJ-LBPRGKRZSA-N 1 1 306.366 2.509 20 5 DFBDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174852793 271140859 /nfs/dbraw/zinc/14/08/59/271140859.db2.gz ZDUXOMVDYHCDBW-JTQLQIEISA-N 1 1 309.395 2.558 20 5 DFBDMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000178332388 271192741 /nfs/dbraw/zinc/19/27/41/271192741.db2.gz VLAOKZRPOUUYDS-HNNXBMFYSA-N 1 1 300.362 2.764 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000178530586 271194276 /nfs/dbraw/zinc/19/42/76/271194276.db2.gz GIBPBHRNTKKMSD-LLVKDONJSA-N 1 1 324.352 2.898 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000178530586 271194278 /nfs/dbraw/zinc/19/42/78/271194278.db2.gz GIBPBHRNTKKMSD-LLVKDONJSA-N 1 1 324.352 2.898 20 5 DFBDMO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000285526732 271341957 /nfs/dbraw/zinc/34/19/57/271341957.db2.gz PMXDOJOCDRXSEP-AWEZNQCLSA-N 1 1 321.377 2.648 20 5 DFBDMO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000285526732 271341963 /nfs/dbraw/zinc/34/19/63/271341963.db2.gz PMXDOJOCDRXSEP-AWEZNQCLSA-N 1 1 321.377 2.648 20 5 DFBDMO CC(=O)c1cc(N(C)CCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000286095049 271343187 /nfs/dbraw/zinc/34/31/87/271343187.db2.gz DVLWTMILYHUMPK-UHFFFAOYSA-N 1 1 316.361 2.829 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCNC(=O)C(C)C ZINC000182997379 427177853 /nfs/dbraw/zinc/17/78/53/427177853.db2.gz HUIVMTHZAZVGJR-CYBMUJFWSA-N 1 1 307.394 2.668 20 5 DFBDMO COCC[N@@H+](C)CCCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000296450801 427181573 /nfs/dbraw/zinc/18/15/73/427181573.db2.gz IQXCXYJTWYMYAM-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DFBDMO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)[N@@H+]1C ZINC000292905547 427205198 /nfs/dbraw/zinc/20/51/98/427205198.db2.gz WZEHPSCTAWUIGN-TXEJJXNPSA-N 1 1 300.362 2.672 20 5 DFBDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330407345 427231557 /nfs/dbraw/zinc/23/15/57/427231557.db2.gz RKNUPMQZUYPYKK-OCCSQVGLSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330578517 427267961 /nfs/dbraw/zinc/26/79/61/427267961.db2.gz HSQKCFLUWHDHJF-OCCSQVGLSA-N 1 1 319.405 2.753 20 5 DFBDMO CCCN(CCC)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338343867 427267986 /nfs/dbraw/zinc/26/79/86/427267986.db2.gz BOROUWOYNRCWEV-UHFFFAOYSA-N 1 1 321.421 2.718 20 5 DFBDMO CCCN(CCC)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338343867 427267994 /nfs/dbraw/zinc/26/79/94/427267994.db2.gz BOROUWOYNRCWEV-UHFFFAOYSA-N 1 1 321.421 2.718 20 5 DFBDMO CC(C)CCNC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338353044 427271178 /nfs/dbraw/zinc/27/11/78/427271178.db2.gz XEYPAQXXSNZQEI-AWEZNQCLSA-N 1 1 321.421 2.620 20 5 DFBDMO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000285597474 427281661 /nfs/dbraw/zinc/28/16/61/427281661.db2.gz LVKTVCJWGRPMMT-CQSZACIVSA-N 1 1 321.377 2.695 20 5 DFBDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000285597474 427281667 /nfs/dbraw/zinc/28/16/67/427281667.db2.gz LVKTVCJWGRPMMT-CQSZACIVSA-N 1 1 321.377 2.695 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255617498 427282784 /nfs/dbraw/zinc/28/27/84/427282784.db2.gz QDEWSUZXESLAGF-YDZSZYSISA-N 1 1 317.389 2.551 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)cccc1[N+](=O)[O-] ZINC000183851919 427351891 /nfs/dbraw/zinc/35/18/91/427351891.db2.gz LJEHMDPKQDNKGV-HNNXBMFYSA-N 1 1 320.389 2.878 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000271008191 427369722 /nfs/dbraw/zinc/36/97/22/427369722.db2.gz OCNXHGGIBXVZDU-UHFFFAOYSA-N 1 1 300.358 2.898 20 5 DFBDMO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000331261978 427385194 /nfs/dbraw/zinc/38/51/94/427385194.db2.gz CTADZEHVABIIGA-OLZOCXBDSA-N 1 1 305.378 2.646 20 5 DFBDMO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000331261978 427385201 /nfs/dbraw/zinc/38/52/01/427385201.db2.gz CTADZEHVABIIGA-OLZOCXBDSA-N 1 1 305.378 2.646 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(CO)o2)C2CC2)c1 ZINC000271060401 427391500 /nfs/dbraw/zinc/39/15/00/427391500.db2.gz GBBLRANGMWEAFX-UHFFFAOYSA-N 1 1 302.330 2.845 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(CO)o2)C2CC2)c1 ZINC000271060401 427391504 /nfs/dbraw/zinc/39/15/04/427391504.db2.gz GBBLRANGMWEAFX-UHFFFAOYSA-N 1 1 302.330 2.845 20 5 DFBDMO C[N@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000297813610 427460891 /nfs/dbraw/zinc/46/08/91/427460891.db2.gz IQOWBZQVVIPMPE-UHFFFAOYSA-N 1 1 317.311 2.751 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000338746809 427468233 /nfs/dbraw/zinc/46/82/33/427468233.db2.gz RTLQHGMRKCMEKX-INIZCTEOSA-N 1 1 304.394 2.529 20 5 DFBDMO Cc1cccc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000338637938 427422208 /nfs/dbraw/zinc/42/22/08/427422208.db2.gz ZWVFQYQBNCKAIN-CQSZACIVSA-N 1 1 307.394 2.672 20 5 DFBDMO COc1ccc(NC(=O)CC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000297700706 427433945 /nfs/dbraw/zinc/43/39/45/427433945.db2.gz ATNTVLSCBBPBCC-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO C[C@]1(CCCO)CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000271198623 427445911 /nfs/dbraw/zinc/44/59/11/427445911.db2.gz PKSANABZZIIUPS-MRXNPFEDSA-N 1 1 308.378 2.601 20 5 DFBDMO C[N@@H+](CCNc1ccc(N)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000286343377 427499590 /nfs/dbraw/zinc/49/95/90/427499590.db2.gz KKDXUWWJVJWCAB-UHFFFAOYSA-N 1 1 300.362 2.721 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC(F)(F)CO ZINC000184691974 427517951 /nfs/dbraw/zinc/51/79/51/427517951.db2.gz IEAWJSYEGZXRBK-AAEUAGOBSA-N 1 1 314.332 2.523 20 5 DFBDMO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000294034707 427529153 /nfs/dbraw/zinc/52/91/53/427529153.db2.gz FRBABQGHSZXTJV-SECBINFHSA-N 1 1 304.350 2.887 20 5 DFBDMO C[N@@H+](CCSc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000279007591 427529489 /nfs/dbraw/zinc/52/94/89/427529489.db2.gz GOTPROGAGXQKLL-UHFFFAOYSA-N 1 1 304.375 2.609 20 5 DFBDMO CCc1nc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000184749246 427533767 /nfs/dbraw/zinc/53/37/67/427533767.db2.gz DMKVTZCMSUBQDM-QMTHXVAHSA-N 1 1 321.402 2.998 20 5 DFBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192453537 427542510 /nfs/dbraw/zinc/54/25/10/427542510.db2.gz WJNFHQINHGREPR-GFCCVEGCSA-N 1 1 318.402 2.762 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192453537 427542515 /nfs/dbraw/zinc/54/25/15/427542515.db2.gz WJNFHQINHGREPR-GFCCVEGCSA-N 1 1 318.402 2.762 20 5 DFBDMO C[C@H]1C[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338993677 427612117 /nfs/dbraw/zinc/61/21/17/427612117.db2.gz WWVNWHYWJLVESI-JTQLQIEISA-N 1 1 317.311 2.750 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@](F)(CO)C2)o1 ZINC000339003830 427617841 /nfs/dbraw/zinc/61/78/41/427617841.db2.gz ZUBKUQNUNGUUFY-MRXNPFEDSA-N 1 1 320.320 2.761 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)o1 ZINC000339003830 427617849 /nfs/dbraw/zinc/61/78/49/427617849.db2.gz ZUBKUQNUNGUUFY-MRXNPFEDSA-N 1 1 320.320 2.761 20 5 DFBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263756859 427562125 /nfs/dbraw/zinc/56/21/25/427562125.db2.gz QNXWOTIJPSDBJG-HNNXBMFYSA-N 1 1 319.405 2.723 20 5 DFBDMO COCCN(C)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192663467 427583310 /nfs/dbraw/zinc/58/33/10/427583310.db2.gz MWFWJLTURDTKLB-KRWDZBQOSA-N 1 1 321.421 2.530 20 5 DFBDMO COCC[N@H+](C)CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192663467 427583317 /nfs/dbraw/zinc/58/33/17/427583317.db2.gz MWFWJLTURDTKLB-KRWDZBQOSA-N 1 1 321.421 2.530 20 5 DFBDMO COCC[N@@H+](C)CCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192663467 427583326 /nfs/dbraw/zinc/58/33/26/427583326.db2.gz MWFWJLTURDTKLB-KRWDZBQOSA-N 1 1 321.421 2.530 20 5 DFBDMO Cc1cccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000298496514 427629730 /nfs/dbraw/zinc/62/97/30/427629730.db2.gz FSYLZWNNDYCOSF-OCCSQVGLSA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373262 427641494 /nfs/dbraw/zinc/64/14/94/427641494.db2.gz BCJJYNLCAPOMAJ-VHSXEESVSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373262 427641501 /nfs/dbraw/zinc/64/15/01/427641501.db2.gz BCJJYNLCAPOMAJ-VHSXEESVSA-N 1 1 318.295 2.816 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@H](CO)CC(C)C)c([N+](=O)[O-])cc1F ZINC000185373065 427641795 /nfs/dbraw/zinc/64/17/95/427641795.db2.gz RHHWKLNFXPDIFG-LBPRGKRZSA-N 1 1 314.357 2.581 20 5 DFBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339057655 427651014 /nfs/dbraw/zinc/65/10/14/427651014.db2.gz UQXBPPFLFJZYJK-GZMMTYOYSA-N 1 1 304.268 2.569 20 5 DFBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339057655 427651021 /nfs/dbraw/zinc/65/10/21/427651021.db2.gz UQXBPPFLFJZYJK-GZMMTYOYSA-N 1 1 304.268 2.569 20 5 DFBDMO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1O ZINC000339063045 427657517 /nfs/dbraw/zinc/65/75/17/427657517.db2.gz QKNUNCCHMAZMJM-ZANVPECISA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1O ZINC000339063045 427657520 /nfs/dbraw/zinc/65/75/20/427657520.db2.gz QKNUNCCHMAZMJM-ZANVPECISA-N 1 1 318.295 2.816 20 5 DFBDMO CSc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343446405 272148970 /nfs/dbraw/zinc/14/89/70/272148970.db2.gz OQNWRWDSJUVCKU-JQWIXIFHSA-N 1 1 323.418 2.529 20 5 DFBDMO C[C@H]1[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC[N@H+]1C ZINC000343488392 272158490 /nfs/dbraw/zinc/15/84/90/272158490.db2.gz FQOCOHFKQPRLPN-GXFFZTMASA-N 1 1 317.345 2.554 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CC([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000343636518 272189803 /nfs/dbraw/zinc/18/98/03/272189803.db2.gz XHFHZNHIBJDXAC-UHFFFAOYSA-N 1 1 312.373 2.619 20 5 DFBDMO CCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000343645239 272191793 /nfs/dbraw/zinc/19/17/93/272191793.db2.gz JJSDXHBPIGFMGX-NSHDSACASA-N 1 1 309.366 2.662 20 5 DFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000343890269 272232495 /nfs/dbraw/zinc/23/24/95/272232495.db2.gz SURWJBZXBCHVMN-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185619067 427680930 /nfs/dbraw/zinc/68/09/30/427680930.db2.gz AKTZNIRZTRNZQB-DOMZBBRYSA-N 1 1 317.389 2.604 20 5 DFBDMO CCOc1cc(NC[C@@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000344080263 272258663 /nfs/dbraw/zinc/25/86/63/272258663.db2.gz CBHWSAIWINLCSN-LBPRGKRZSA-N 1 1 316.361 2.865 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344183973 272282431 /nfs/dbraw/zinc/28/24/31/272282431.db2.gz XVSYJEZJXRGUQJ-GFCCVEGCSA-N 1 1 323.368 2.728 20 5 DFBDMO CC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000344213124 272289001 /nfs/dbraw/zinc/28/90/01/272289001.db2.gz DPRKPJNMBKURLG-INIZCTEOSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000344213124 272289003 /nfs/dbraw/zinc/28/90/03/272289003.db2.gz DPRKPJNMBKURLG-INIZCTEOSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000344242983 272295991 /nfs/dbraw/zinc/29/59/91/272295991.db2.gz PIZRBEJRTLYVSX-MRXNPFEDSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000344278495 272303087 /nfs/dbraw/zinc/30/30/87/272303087.db2.gz URWXLOJVBZGOIW-BJJXKVORSA-N 1 1 319.405 2.892 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000298721919 427686895 /nfs/dbraw/zinc/68/68/95/427686895.db2.gz JCNOUONJYYGNRK-UKRRQHHQSA-N 1 1 318.377 2.652 20 5 DFBDMO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339134423 427692474 /nfs/dbraw/zinc/69/24/74/427692474.db2.gz RXHDDWNILCLQSD-NXEZZACHSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339134423 427692479 /nfs/dbraw/zinc/69/24/79/427692479.db2.gz RXHDDWNILCLQSD-NXEZZACHSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339134428 427696845 /nfs/dbraw/zinc/69/68/45/427696845.db2.gz RXHDDWNILCLQSD-VHSXEESVSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339134428 427696856 /nfs/dbraw/zinc/69/68/56/427696856.db2.gz RXHDDWNILCLQSD-VHSXEESVSA-N 1 1 318.295 2.816 20 5 DFBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000298763298 427701242 /nfs/dbraw/zinc/70/12/42/427701242.db2.gz PUMNWDYVCXFXLU-UHFFFAOYSA-N 1 1 305.378 2.822 20 5 DFBDMO CC(=O)c1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000287849370 427703687 /nfs/dbraw/zinc/70/36/87/427703687.db2.gz LNTYSCHZKHNUKG-GFCCVEGCSA-N 1 1 314.345 2.905 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCC[C@H]1O ZINC000339189378 427724116 /nfs/dbraw/zinc/72/41/16/427724116.db2.gz QQXFZGBRQMJIFE-CHWSQXEVSA-N 1 1 318.295 2.959 20 5 DFBDMO Cc1cc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000193725190 427708089 /nfs/dbraw/zinc/70/80/89/427708089.db2.gz IKZXOCCJYWHSOC-AWEZNQCLSA-N 1 1 318.377 2.605 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000298831580 427714235 /nfs/dbraw/zinc/71/42/35/427714235.db2.gz HFUJWKJCFOAGKU-OLZOCXBDSA-N 1 1 305.378 2.646 20 5 DFBDMO CC(C)[N@@H+]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000287937898 427719492 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Cc1[nH+]ccn1-c1ccc(CNc2nccc(C)c2[N+](=O)[O-])cn1 ZINC000301301726 427787773 /nfs/dbraw/zinc/78/77/73/427787773.db2.gz RMTYXEWKRDAJDP-UHFFFAOYSA-N 1 1 324.344 2.799 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000339253790 427743369 /nfs/dbraw/zinc/74/33/69/427743369.db2.gz UNVKOCDHJCEQSO-LLVKDONJSA-N 1 1 323.393 2.908 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000299081307 427748701 /nfs/dbraw/zinc/74/87/01/427748701.db2.gz SGHKBBCGTYGYGL-OCCSQVGLSA-N 1 1 323.780 2.605 20 5 DFBDMO CCOc1cc(NC[C@H](C)[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301600734 427808658 /nfs/dbraw/zinc/80/86/58/427808658.db2.gz VBZNZQRHVRLSMC-QWHCGFSZSA-N 1 1 323.393 2.515 20 5 DFBDMO CCOc1cc(NC[C@H](C)[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301600734 427808661 /nfs/dbraw/zinc/80/86/61/427808661.db2.gz VBZNZQRHVRLSMC-QWHCGFSZSA-N 1 1 323.393 2.515 20 5 DFBDMO CCOc1cc(NC[C@@H](C)[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301600730 427809428 /nfs/dbraw/zinc/80/94/28/427809428.db2.gz VBZNZQRHVRLSMC-CHWSQXEVSA-N 1 1 323.393 2.515 20 5 DFBDMO CCOc1cc(NC[C@@H](C)[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301600730 427809431 /nfs/dbraw/zinc/80/94/31/427809431.db2.gz VBZNZQRHVRLSMC-CHWSQXEVSA-N 1 1 323.393 2.515 20 5 DFBDMO COc1cc(NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000301613729 427809807 /nfs/dbraw/zinc/80/98/07/427809807.db2.gz HMURZFOTCCBSPV-NSHDSACASA-N 1 1 311.357 2.886 20 5 DFBDMO CCC[N@H+]1CCCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000301624677 427810641 /nfs/dbraw/zinc/81/06/41/427810641.db2.gz PGFKUCUBNAPEDO-UHFFFAOYSA-N 1 1 311.357 2.665 20 5 DFBDMO Cc1nc(NCC[N@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000301630441 427810909 /nfs/dbraw/zinc/81/09/09/427810909.db2.gz CGWIIIPDDFAJQG-UHFFFAOYSA-N 1 1 318.352 2.981 20 5 DFBDMO CCCc1[nH+]ccn1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000339691051 427812762 /nfs/dbraw/zinc/81/27/62/427812762.db2.gz SIODLCVPDGWDEG-UHFFFAOYSA-N 1 1 302.334 2.691 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339703064 427814597 /nfs/dbraw/zinc/81/45/97/427814597.db2.gz WEZQSUUBCOXSFO-KRWDZBQOSA-N 1 1 322.405 2.834 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339707916 427815582 /nfs/dbraw/zinc/81/55/82/427815582.db2.gz QOILCDAOSXMFCN-KRWDZBQOSA-N 1 1 322.405 2.834 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000301847805 427829738 /nfs/dbraw/zinc/82/97/38/427829738.db2.gz NRYSEVJWGHBONB-NSHDSACASA-N 1 1 323.422 2.836 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000301926315 427841397 /nfs/dbraw/zinc/84/13/97/427841397.db2.gz JDYHMKOWICILTI-OCCSQVGLSA-N 1 1 309.341 2.781 20 5 DFBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000302014171 427846030 /nfs/dbraw/zinc/84/60/30/427846030.db2.gz LAGNAVGTHSMNGZ-CYBMUJFWSA-N 1 1 300.362 2.922 20 5 DFBDMO O=C(CC[N@H+]1CC[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337354658 427861745 /nfs/dbraw/zinc/86/17/45/427861745.db2.gz BOQDTXLCTQGJFA-OCCSQVGLSA-N 1 1 303.362 2.798 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413176659 427980984 /nfs/dbraw/zinc/98/09/84/427980984.db2.gz UWPFHPYHTYWBPR-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000340151492 427938499 /nfs/dbraw/zinc/93/84/99/427938499.db2.gz CGAKLRKLTADQAR-DZGCQCFKSA-N 1 1 312.373 2.659 20 5 DFBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000340151494 427938879 /nfs/dbraw/zinc/93/88/79/427938879.db2.gz CGAKLRKLTADQAR-UKRRQHHQSA-N 1 1 312.373 2.659 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@@H+](C)C2CC2)c1 ZINC000413347121 428027789 /nfs/dbraw/zinc/02/77/89/428027789.db2.gz KHERYBPOFYXZKM-UHFFFAOYSA-N 1 1 321.377 2.668 20 5 DFBDMO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+]1C ZINC000413270000 428007500 /nfs/dbraw/zinc/00/75/00/428007500.db2.gz VAENXICRWOCIMN-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000413535296 428075376 /nfs/dbraw/zinc/07/53/76/428075376.db2.gz SXWOCKXMUTYDRO-LBPRGKRZSA-N 1 1 318.402 2.762 20 5 DFBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000413535296 428075381 /nfs/dbraw/zinc/07/53/81/428075381.db2.gz SXWOCKXMUTYDRO-LBPRGKRZSA-N 1 1 318.402 2.762 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000377212285 428085894 /nfs/dbraw/zinc/08/58/94/428085894.db2.gz ADQXKIKMAUAKKQ-MRXNPFEDSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000377212285 428085900 /nfs/dbraw/zinc/08/59/00/428085900.db2.gz ADQXKIKMAUAKKQ-MRXNPFEDSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1cccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000377358482 428114243 /nfs/dbraw/zinc/11/42/43/428114243.db2.gz HDGQHKCDSJCWOF-GJZGRUSLSA-N 1 1 317.389 2.602 20 5 DFBDMO CCOc1cccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000341586179 428117513 /nfs/dbraw/zinc/11/75/13/428117513.db2.gz MWWLRFYKHWRLSQ-NSHDSACASA-N 1 1 304.350 2.578 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1c1ccccc1 ZINC000370046244 428118320 /nfs/dbraw/zinc/11/83/20/428118320.db2.gz QMRTWJXFOXXPKF-DZGCQCFKSA-N 1 1 314.389 2.954 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000370047252 428121820 /nfs/dbraw/zinc/12/18/20/428121820.db2.gz WQXKZCPKJDPPMD-GFCCVEGCSA-N 1 1 320.780 2.971 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1noc([C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000377467933 428134807 /nfs/dbraw/zinc/13/48/07/428134807.db2.gz HSBVJMCADLXVLB-SNVBAGLBSA-N 1 1 311.301 2.571 20 5 DFBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539657 428142962 /nfs/dbraw/zinc/14/29/62/428142962.db2.gz BNFBKRWEBUFGFW-JSGCOSHPSA-N 1 1 307.394 2.518 20 5 DFBDMO Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000360081574 428150639 /nfs/dbraw/zinc/15/06/39/428150639.db2.gz GMFGGMIRFWLCET-OCCSQVGLSA-N 1 1 307.369 2.963 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556396 428150637 /nfs/dbraw/zinc/15/06/37/428150637.db2.gz ZHUCTXHAVVCEAJ-HNNXBMFYSA-N 1 1 321.421 2.767 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC=C(c3cccc(F)c3)CC2)c1 ZINC000370237307 428165019 /nfs/dbraw/zinc/16/50/19/428165019.db2.gz YYNYZTHODRODRX-UHFFFAOYSA-N 1 1 316.336 2.720 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000352766837 428237923 /nfs/dbraw/zinc/23/79/23/428237923.db2.gz DDYVMLCZEPPXDC-DYVFJYSZSA-N 1 1 317.389 2.566 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000377668296 428186501 /nfs/dbraw/zinc/18/65/01/428186501.db2.gz FOOHBVGIIDJHPV-HOCLYGCPSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000377668296 428186503 /nfs/dbraw/zinc/18/65/03/428186503.db2.gz FOOHBVGIIDJHPV-HOCLYGCPSA-N 1 1 320.389 2.993 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000346501442 428197835 /nfs/dbraw/zinc/19/78/35/428197835.db2.gz ZLFQJWVYPGQLRJ-VXGBXAGGSA-N 1 1 320.393 2.850 20 5 DFBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000377945629 428267605 /nfs/dbraw/zinc/26/76/05/428267605.db2.gz PVSKZOAPFULJRQ-PBHICJAKSA-N 1 1 314.389 2.917 20 5 DFBDMO Cc1occc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000414368083 428274204 /nfs/dbraw/zinc/27/42/04/428274204.db2.gz GBXYCQRGHMGMOL-UHFFFAOYSA-N 1 1 301.346 2.818 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@]23CCOC3)cc1 ZINC000370737032 428286256 /nfs/dbraw/zinc/28/62/56/428286256.db2.gz HNACWAMNJZYYGE-INIZCTEOSA-N 1 1 306.362 2.619 20 5 DFBDMO O=[N+]([O-])c1cccnc1N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000370737495 428286502 /nfs/dbraw/zinc/28/65/02/428286502.db2.gz KCVBXNUOYIXOMD-FOLVSLTJSA-N 1 1 310.357 2.532 20 5 DFBDMO COC(=O)[C@]12C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC000342149685 428322522 /nfs/dbraw/zinc/32/25/22/428322522.db2.gz GGOGUQFRQWKBSI-WMLDXEAASA-N 1 1 318.373 2.760 20 5 DFBDMO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000370990975 428336346 /nfs/dbraw/zinc/33/63/46/428336346.db2.gz HDZQXELDIGARCS-HOTGVXAUSA-N 1 1 317.345 2.762 20 5 DFBDMO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000370990975 428336351 /nfs/dbraw/zinc/33/63/51/428336351.db2.gz HDZQXELDIGARCS-HOTGVXAUSA-N 1 1 317.345 2.762 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414551028 428336618 /nfs/dbraw/zinc/33/66/18/428336618.db2.gz AMYIGOCJTSUFEV-JZLODUJNSA-N 1 1 318.373 2.883 20 5 DFBDMO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCn4cc[nH+]c43)ccc2c1 ZINC000378221462 428338944 /nfs/dbraw/zinc/33/89/44/428338944.db2.gz GCRPGYAHKLAKJD-CYBMUJFWSA-N 1 1 323.356 3.329 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000378278968 428352634 /nfs/dbraw/zinc/35/26/34/428352634.db2.gz FFYZQHDWWLJQJH-CYBMUJFWSA-N 1 1 317.370 2.573 20 5 DFBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000378278968 428352638 /nfs/dbraw/zinc/35/26/38/428352638.db2.gz FFYZQHDWWLJQJH-CYBMUJFWSA-N 1 1 317.370 2.573 20 5 DFBDMO Cc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000353016935 428353646 /nfs/dbraw/zinc/35/36/46/428353646.db2.gz JTIOWEOTVCOCLZ-HNNXBMFYSA-N 1 1 300.362 2.878 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](COC(F)F)C2)c(F)c1 ZINC000353017044 428353730 /nfs/dbraw/zinc/35/37/30/428353730.db2.gz BLSHHZXKGPOVSK-VIFPVBQESA-N 1 1 304.268 2.795 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](COC(F)F)C2)c(F)c1 ZINC000353017044 428353735 /nfs/dbraw/zinc/35/37/35/428353735.db2.gz BLSHHZXKGPOVSK-VIFPVBQESA-N 1 1 304.268 2.795 20 5 DFBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000347003941 428405566 /nfs/dbraw/zinc/40/55/66/428405566.db2.gz ADSMZUWVXMYIIY-SKDRFNHKSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000347003941 428405571 /nfs/dbraw/zinc/40/55/71/428405571.db2.gz ADSMZUWVXMYIIY-SKDRFNHKSA-N 1 1 312.753 2.632 20 5 DFBDMO Cc1csc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000342283213 428383389 /nfs/dbraw/zinc/38/33/89/428383389.db2.gz PRGLBRJAYHYREW-JTQLQIEISA-N 1 1 320.374 2.649 20 5 DFBDMO NC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000414869201 428438898 /nfs/dbraw/zinc/43/88/98/428438898.db2.gz AHWCSIMVMVEIIZ-DZGCQCFKSA-N 1 1 303.406 2.777 20 5 DFBDMO CCOC(=O)c1cc(NCC[N@@H+](CC)C(C)C)ccc1[N+](=O)[O-] ZINC000357239596 428451961 /nfs/dbraw/zinc/45/19/61/428451961.db2.gz PGBMQAHWZRXNEN-UHFFFAOYSA-N 1 1 323.393 2.914 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cs1 ZINC000372538671 428461012 /nfs/dbraw/zinc/46/10/12/428461012.db2.gz XEJCYDMOMIGNHZ-GFCCVEGCSA-N 1 1 304.375 2.826 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cs1 ZINC000372538671 428461015 /nfs/dbraw/zinc/46/10/15/428461015.db2.gz XEJCYDMOMIGNHZ-GFCCVEGCSA-N 1 1 304.375 2.826 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000360900800 428483166 /nfs/dbraw/zinc/48/31/66/428483166.db2.gz AKKXSWLJNNKDBA-ZDUSSCGKSA-N 1 1 309.414 2.796 20 5 DFBDMO C[C@H](CO)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000347230635 428503479 /nfs/dbraw/zinc/50/34/79/428503479.db2.gz OGSUTLHZMRTCAO-CYBMUJFWSA-N 1 1 308.378 2.599 20 5 DFBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000372975703 428508515 /nfs/dbraw/zinc/50/85/15/428508515.db2.gz OVECINHKEHJODJ-CYBMUJFWSA-N 1 1 309.322 2.504 20 5 DFBDMO C[C@@H]([NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353391236 428518947 /nfs/dbraw/zinc/51/89/47/428518947.db2.gz BJNSLHMMFNBEPR-IAQYHMDHSA-N 1 1 300.362 2.806 20 5 DFBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000361153369 428541016 /nfs/dbraw/zinc/54/10/16/428541016.db2.gz HZNANOBHFNWGRA-XHDPSFHLSA-N 1 1 318.402 3.156 20 5 DFBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000361153366 428541965 /nfs/dbraw/zinc/54/19/65/428541965.db2.gz HZNANOBHFNWGRA-ABAIWWIYSA-N 1 1 318.402 3.156 20 5 DFBDMO CCCC[N@H+](CC(N)=O)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347348378 428558909 /nfs/dbraw/zinc/55/89/09/428558909.db2.gz XGTUFEVISNMQBJ-LCYFTJDESA-N 1 1 305.378 2.586 20 5 DFBDMO CSC[C@@H](C)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353529453 428579910 /nfs/dbraw/zinc/57/99/10/428579910.db2.gz PYFWSKLIUOQTFX-RISCZKNCSA-N 1 1 320.418 2.759 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347573358 428608038 /nfs/dbraw/zinc/60/80/38/428608038.db2.gz VJRBFZYNVNJUJR-JHJVBQTASA-N 1 1 305.378 2.900 20 5 DFBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000344033429 428611584 /nfs/dbraw/zinc/61/15/84/428611584.db2.gz BGDIICRRQOPHKK-UHFFFAOYSA-N 1 1 323.368 2.613 20 5 DFBDMO C[C@H]1C[N@@H+](C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353610580 428619321 /nfs/dbraw/zinc/61/93/21/428619321.db2.gz WXXYGGBWAUCSKB-ZDUSSCGKSA-N 1 1 315.373 2.991 20 5 DFBDMO C[C@H]1CN(C)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353610580 428619332 /nfs/dbraw/zinc/61/93/32/428619332.db2.gz WXXYGGBWAUCSKB-ZDUSSCGKSA-N 1 1 315.373 2.991 20 5 DFBDMO C[C@H]1CN(C)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353610580 428619337 /nfs/dbraw/zinc/61/93/37/428619337.db2.gz WXXYGGBWAUCSKB-ZDUSSCGKSA-N 1 1 315.373 2.991 20 5 DFBDMO Cc1c(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000353689045 428659957 /nfs/dbraw/zinc/65/99/57/428659957.db2.gz PQJVKDPVNJGWDS-INMHGKMJSA-N 1 1 303.406 2.866 20 5 DFBDMO Cc1c(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000353689045 428659963 /nfs/dbraw/zinc/65/99/63/428659963.db2.gz PQJVKDPVNJGWDS-INMHGKMJSA-N 1 1 303.406 2.866 20 5 DFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000408067148 274364316 /nfs/dbraw/zinc/36/43/16/274364316.db2.gz IXLYIASMIBEFFR-VXGBXAGGSA-N 1 1 300.362 2.672 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)Cc1ccccc1 ZINC000353772068 428705374 /nfs/dbraw/zinc/70/53/74/428705374.db2.gz YMYKUCCJOMHRPO-INIZCTEOSA-N 1 1 318.348 2.769 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)Cc1ccccc1 ZINC000353772068 428705381 /nfs/dbraw/zinc/70/53/81/428705381.db2.gz YMYKUCCJOMHRPO-INIZCTEOSA-N 1 1 318.348 2.769 20 5 DFBDMO CCOC(=O)C1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374918378 428785396 /nfs/dbraw/zinc/78/53/96/428785396.db2.gz UAJWBRVAWTUENQ-UHFFFAOYSA-N 1 1 324.352 2.899 20 5 DFBDMO Cc1ccc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000363045053 428847640 /nfs/dbraw/zinc/84/76/40/428847640.db2.gz BRCZPLJYLGLAPS-OAHLLOKOSA-N 1 1 300.362 2.937 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2c1OCO2 ZINC000348675022 428810025 /nfs/dbraw/zinc/81/00/25/428810025.db2.gz PJQMOIHZFAQLJV-UHFFFAOYSA-N 1 1 314.341 2.998 20 5 DFBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000354014840 428823804 /nfs/dbraw/zinc/82/38/04/428823804.db2.gz OIRRSCDYTARZDO-UKRRQHHQSA-N 1 1 322.405 2.703 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375387315 428869704 /nfs/dbraw/zinc/86/97/04/428869704.db2.gz NUCVUIRWQZIQQT-GOEBONIOSA-N 1 1 306.362 2.747 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000375392803 428871790 /nfs/dbraw/zinc/87/17/90/428871790.db2.gz PBRKBFHYWDNHGX-CQSZACIVSA-N 1 1 304.325 2.768 20 5 DFBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000363213119 428884438 /nfs/dbraw/zinc/88/44/38/428884438.db2.gz JMQJPCUVOBKWAZ-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000375468624 428891745 /nfs/dbraw/zinc/89/17/45/428891745.db2.gz FRWNDXMVSNKMQF-KCPJHIHWSA-N 1 1 308.353 2.979 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411949976 428892227 /nfs/dbraw/zinc/89/22/27/428892227.db2.gz QUSLOAACLHYSQB-MSOLQXFVSA-N 1 1 312.369 2.945 20 5 DFBDMO CC(C)OCCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354208175 428917555 /nfs/dbraw/zinc/91/75/55/428917555.db2.gz OLYQUQMYBBOMRV-UHFFFAOYSA-N 1 1 323.393 2.670 20 5 DFBDMO Cc1nc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000363445049 428917925 /nfs/dbraw/zinc/91/79/25/428917925.db2.gz ZQBMOGTXIJABNP-UHFFFAOYSA-N 1 1 302.334 2.666 20 5 DFBDMO COc1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1Cl ZINC000412047434 428923017 /nfs/dbraw/zinc/92/30/17/428923017.db2.gz UYXRJLCNZKMNEQ-UHFFFAOYSA-N 1 1 324.768 2.585 20 5 DFBDMO C[NH+]1CCC([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000349149910 428929239 /nfs/dbraw/zinc/92/92/39/428929239.db2.gz MGFUIAVQRWDLLY-AWEZNQCLSA-N 1 1 321.396 2.898 20 5 DFBDMO Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000262091255 274713148 /nfs/dbraw/zinc/71/31/48/274713148.db2.gz IAUXDBJQHKUAHH-NWDGAFQWSA-N 1 1 300.362 2.625 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000412085036 428945738 /nfs/dbraw/zinc/94/57/38/428945738.db2.gz ZCYJYWZVRDTTGG-HNNXBMFYSA-N 1 1 310.325 2.509 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000412085036 428945744 /nfs/dbraw/zinc/94/57/44/428945744.db2.gz ZCYJYWZVRDTTGG-HNNXBMFYSA-N 1 1 310.325 2.509 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412082666 428946934 /nfs/dbraw/zinc/94/69/34/428946934.db2.gz MVBZCYMKKPECDD-TZMCWYRMSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000349252923 428950366 /nfs/dbraw/zinc/95/03/66/428950366.db2.gz VQUYGXCPYDZEFS-ZDUSSCGKSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccon1 ZINC000349279196 428953395 /nfs/dbraw/zinc/95/33/95/428953395.db2.gz OHBFKYFPZISGLI-NSHDSACASA-N 1 1 318.333 2.571 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421713492 429020124 /nfs/dbraw/zinc/02/01/24/429020124.db2.gz STIPNKPGAQWNGV-AWEZNQCLSA-N 1 1 319.405 2.686 20 5 DFBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421746319 429025968 /nfs/dbraw/zinc/02/59/68/429025968.db2.gz BUUBRKDJOZYRKM-UHFFFAOYSA-N 1 1 316.361 2.537 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451793838 428976056 /nfs/dbraw/zinc/97/60/56/428976056.db2.gz WGVGNMLQKJPTGT-CQSZACIVSA-N 1 1 310.394 2.832 20 5 DFBDMO Cc1nccn1CCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349388467 428981476 /nfs/dbraw/zinc/98/14/76/428981476.db2.gz ZDINUHUXAIPILA-UHFFFAOYSA-N 1 1 302.378 2.930 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451825362 428989460 /nfs/dbraw/zinc/98/94/60/428989460.db2.gz CYTQBOVDGYPCLV-JKSUJKDBSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000349563179 429005019 /nfs/dbraw/zinc/00/50/19/429005019.db2.gz GYTCSHHFOICFND-UHFFFAOYSA-N 1 1 306.293 2.738 20 5 DFBDMO C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452019702 429039933 /nfs/dbraw/zinc/03/99/33/429039933.db2.gz YYTANZWOJQUMPX-GFCCVEGCSA-N 1 1 317.389 2.747 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000421860763 429041454 /nfs/dbraw/zinc/04/14/54/429041454.db2.gz GXPVVBYXCRDCLB-AWEZNQCLSA-N 1 1 319.405 2.814 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423278336 429055698 /nfs/dbraw/zinc/05/56/98/429055698.db2.gz QQXHXCIAIKFOAM-IACUBPJLSA-N 1 1 307.394 2.772 20 5 DFBDMO COc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000363957262 429147597 /nfs/dbraw/zinc/14/75/97/429147597.db2.gz FADRCJSWMNXBQC-GHMZBOCLSA-N 1 1 309.341 2.781 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1sccc1C ZINC000494626634 429133956 /nfs/dbraw/zinc/13/39/56/429133956.db2.gz ROVKYJAMAUCPKS-CYBMUJFWSA-N 1 1 322.386 2.797 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413088390 429135157 /nfs/dbraw/zinc/13/51/57/429135157.db2.gz ULPISVVREDXRTN-VIFPVBQESA-N 1 1 318.299 2.903 20 5 DFBDMO CC(C)[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000487747404 429167542 /nfs/dbraw/zinc/16/75/42/429167542.db2.gz GOOIPCMVWMTNTN-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO O=C1[C@H]([NH+]2Cc3ccccc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067399599 275030458 /nfs/dbraw/zinc/03/04/58/275030458.db2.gz FKEUAKLRPVALIJ-QGZVFWFLSA-N 1 1 323.352 2.716 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301751706 275033503 /nfs/dbraw/zinc/03/35/03/275033503.db2.gz VDASOEWGWFYYJP-UHTWSYAYSA-N 1 1 322.796 2.564 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000367448643 275035450 /nfs/dbraw/zinc/03/54/50/275035450.db2.gz LTQIKZPVEAEIBE-UHFFFAOYSA-N 1 1 321.333 2.648 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC(F)(F)CO ZINC000184692004 275040079 /nfs/dbraw/zinc/04/00/79/275040079.db2.gz IEAWJSYEGZXRBK-WCQYABFASA-N 1 1 314.332 2.523 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3c(F)cccc3F)C2)n1 ZINC000185332608 275040532 /nfs/dbraw/zinc/04/05/32/275040532.db2.gz FBEFVNWXRPTEMH-NSHDSACASA-N 1 1 322.315 2.559 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000301253348 275040896 /nfs/dbraw/zinc/04/08/96/275040896.db2.gz CGCPVXYGYIUVOC-UHFFFAOYSA-N 1 1 310.785 2.708 20 5 DFBDMO O=C(Nc1ccccc1)C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000495151270 429182230 /nfs/dbraw/zinc/18/22/30/429182230.db2.gz OFNBXYRCXZYVMG-UHFFFAOYSA-N 1 1 311.341 2.856 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)c1 ZINC000364333282 429183884 /nfs/dbraw/zinc/18/38/84/429183884.db2.gz AXJYRRZCIYAWIW-CQSZACIVSA-N 1 1 316.361 2.507 20 5 DFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488737792 429192652 /nfs/dbraw/zinc/19/26/52/429192652.db2.gz SGQHFZUSDOYVQH-HUBLWGQQSA-N 1 1 307.369 2.900 20 5 DFBDMO CCc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000489343044 429230764 /nfs/dbraw/zinc/23/07/64/429230764.db2.gz ZJCQHAYERAFIGL-MRXNPFEDSA-N 1 1 319.405 2.569 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1noc([C@H]2CCn3c[nH+]cc3C2)n1 ZINC000364423300 429200679 /nfs/dbraw/zinc/20/06/79/429200679.db2.gz RZNSRHXUTUHKRU-JTQLQIEISA-N 1 1 311.301 2.571 20 5 DFBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000425405343 429287842 /nfs/dbraw/zinc/28/78/42/429287842.db2.gz NHUYNRSLIKNCIE-NSHDSACASA-N 1 1 315.167 2.578 20 5 DFBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000425405343 429287844 /nfs/dbraw/zinc/28/78/44/429287844.db2.gz NHUYNRSLIKNCIE-NSHDSACASA-N 1 1 315.167 2.578 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364618816 429234119 /nfs/dbraw/zinc/23/41/19/429234119.db2.gz DRSGIZCZJHIHQQ-ARFHVFGLSA-N 1 1 304.390 2.883 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000443524153 429254106 /nfs/dbraw/zinc/25/41/06/429254106.db2.gz SKINPUOKAGHJIU-GRYCIOLGSA-N 1 1 310.423 2.893 20 5 DFBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365024710 429272449 /nfs/dbraw/zinc/27/24/49/429272449.db2.gz DBAZZWCOVJSWNC-ZIAGYGMSSA-N 1 1 312.373 3.182 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000425479377 429304938 /nfs/dbraw/zinc/30/49/38/429304938.db2.gz NVRGSTGMZPODIM-OAHLLOKOSA-N 1 1 313.348 2.645 20 5 DFBDMO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449360007 429396989 /nfs/dbraw/zinc/39/69/89/429396989.db2.gz IMLFBHNMALYLNF-SKDRFNHKSA-N 1 1 315.320 2.945 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426488704 429398169 /nfs/dbraw/zinc/39/81/69/429398169.db2.gz XJMRKAQZQJRMEK-TZMCWYRMSA-N 1 1 306.362 2.857 20 5 DFBDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000449192876 429354108 /nfs/dbraw/zinc/35/41/08/429354108.db2.gz RRUODJYZMFWCLF-RYUDHWBXSA-N 1 1 302.378 2.778 20 5 DFBDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000449192875 429354260 /nfs/dbraw/zinc/35/42/60/429354260.db2.gz RRUODJYZMFWCLF-NWDGAFQWSA-N 1 1 302.378 2.778 20 5 DFBDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365638882 429356854 /nfs/dbraw/zinc/35/68/54/429356854.db2.gz OGGDFPGSWCBNMT-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000518212785 429413771 /nfs/dbraw/zinc/41/37/71/429413771.db2.gz PSRZPOZOUFEQCQ-HNNXBMFYSA-N 1 1 313.357 2.988 20 5 DFBDMO Cc1cc(C(=O)NCCCC[N@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000457167155 429417057 /nfs/dbraw/zinc/41/70/57/429417057.db2.gz AHPQOVINPHWVHG-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[N@@H+](CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000491886490 429427760 /nfs/dbraw/zinc/42/77/60/429427760.db2.gz ONYXJHYOSYRCPE-VURMDHGXSA-N 1 1 323.368 2.594 20 5 DFBDMO Cn1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449499987 429434893 /nfs/dbraw/zinc/43/48/93/429434893.db2.gz MYRZXMFCXPEWGB-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000366614501 429488069 /nfs/dbraw/zinc/48/80/69/429488069.db2.gz CYFUAUBOQATZKN-GFCCVEGCSA-N 1 1 316.361 2.706 20 5 DFBDMO C[C@@H]1CC2(CCC2)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366753109 429507742 /nfs/dbraw/zinc/50/77/42/429507742.db2.gz XENFRXDGFBSMGL-HIFRSBDPSA-N 1 1 320.389 2.599 20 5 DFBDMO CC(C)Oc1nc(N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000521460565 429553204 /nfs/dbraw/zinc/55/32/04/429553204.db2.gz FMROFTJVOAKPPS-CYBMUJFWSA-N 1 1 322.409 2.555 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000367037251 429563243 /nfs/dbraw/zinc/56/32/43/429563243.db2.gz KNXWSBYROBUCNT-CQSZACIVSA-N 1 1 317.389 2.964 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@]4(C3)CCCOC4)nc2c1 ZINC000367053557 429568064 /nfs/dbraw/zinc/56/80/64/429568064.db2.gz GAQCOKIWBXQSDU-INIZCTEOSA-N 1 1 317.345 2.739 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367071759 429571129 /nfs/dbraw/zinc/57/11/29/429571129.db2.gz CMMPUPMXALEEEZ-KRWDZBQOSA-N 1 1 320.389 2.996 20 5 DFBDMO C[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000492606226 429575798 /nfs/dbraw/zinc/57/57/98/429575798.db2.gz DNBUSFZDNGTWRI-GFCCVEGCSA-N 1 1 323.393 2.940 20 5 DFBDMO C[C@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000492606226 429575803 /nfs/dbraw/zinc/57/58/03/429575803.db2.gz DNBUSFZDNGTWRI-GFCCVEGCSA-N 1 1 323.393 2.940 20 5 DFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429035347 429576102 /nfs/dbraw/zinc/57/61/02/429576102.db2.gz LQESGOSDBQWBIK-XNJGSVPQSA-N 1 1 321.396 2.896 20 5 DFBDMO C[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000492606227 429576207 /nfs/dbraw/zinc/57/62/07/429576207.db2.gz DNBUSFZDNGTWRI-LBPRGKRZSA-N 1 1 323.393 2.940 20 5 DFBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000492606227 429576213 /nfs/dbraw/zinc/57/62/13/429576213.db2.gz DNBUSFZDNGTWRI-LBPRGKRZSA-N 1 1 323.393 2.940 20 5 DFBDMO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000450253519 429585527 /nfs/dbraw/zinc/58/55/27/429585527.db2.gz OPTMEOYXSTXEEC-ZIAGYGMSSA-N 1 1 312.373 3.182 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000492661049 429588891 /nfs/dbraw/zinc/58/88/91/429588891.db2.gz ZZCSLBIEHQQTBK-CABCVRRESA-N 1 1 320.389 2.994 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450399080 429617582 /nfs/dbraw/zinc/61/75/82/429617582.db2.gz BZZLWWLJYNXWKD-LBPRGKRZSA-N 1 1 323.356 2.870 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429573955 429617688 /nfs/dbraw/zinc/61/76/88/429617688.db2.gz ONTKWMBSBBRWOC-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1[nH+]c(CNc2ccc(N)cc2[N+](=O)[O-])c2n1CCCC2 ZINC000367333040 429624821 /nfs/dbraw/zinc/62/48/21/429624821.db2.gz NWRXGMARJXJUDY-UHFFFAOYSA-N 1 1 301.350 2.630 20 5 DFBDMO C[N@@H+](CCCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492955192 429652736 /nfs/dbraw/zinc/65/27/36/429652736.db2.gz JBQCUPWCARXNFG-YFHOEESVSA-N 1 1 317.389 2.599 20 5 DFBDMO O=[N+]([O-])c1cnc(NCc2c[nH+]c3n2CCCC3)c(Cl)c1 ZINC000367420846 429643793 /nfs/dbraw/zinc/64/37/93/429643793.db2.gz VTINPLPGCJYLNH-UHFFFAOYSA-N 1 1 307.741 2.788 20 5 DFBDMO CC(C)[C@H](C)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429253308 429591112 /nfs/dbraw/zinc/59/11/12/429591112.db2.gz HWUMXPNERYLMSV-LBPRGKRZSA-N 1 1 307.394 2.580 20 5 DFBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450318294 429597871 /nfs/dbraw/zinc/59/78/71/429597871.db2.gz VPYXUJZUYFUIIW-GFCCVEGCSA-N 1 1 300.362 2.531 20 5 DFBDMO Cc1[nH+]ccn1CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450352818 429607088 /nfs/dbraw/zinc/60/70/88/429607088.db2.gz ZXWHMNUMPNYYFC-UHFFFAOYSA-N 1 1 311.345 3.150 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000430217613 429663397 /nfs/dbraw/zinc/66/33/97/429663397.db2.gz IBYFIQBLEGYFFK-INIZCTEOSA-N 1 1 316.357 2.817 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000430245036 429667167 /nfs/dbraw/zinc/66/71/67/429667167.db2.gz ZRMGUBICKKZJQA-KRWDZBQOSA-N 1 1 322.405 2.976 20 5 DFBDMO CC1=C[C@H](C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430282958 429671276 /nfs/dbraw/zinc/67/12/76/429671276.db2.gz XQCVUVKZGTWIBG-LBPRGKRZSA-N 1 1 303.362 2.821 20 5 DFBDMO CC1=C[C@@H](C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430284998 429673289 /nfs/dbraw/zinc/67/32/89/429673289.db2.gz QGQVOLUHXRMAEY-YPMHNXCESA-N 1 1 303.362 2.820 20 5 DFBDMO CC1=C[C@@H](C)C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430284998 429673292 /nfs/dbraw/zinc/67/32/92/429673292.db2.gz QGQVOLUHXRMAEY-YPMHNXCESA-N 1 1 303.362 2.820 20 5 DFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1cccc(OC)c1 ZINC000176209068 276135020 /nfs/dbraw/zinc/13/50/20/276135020.db2.gz WFHHXGFHLGAOGR-ZDUSSCGKSA-N 1 1 318.377 2.883 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450786657 429700165 /nfs/dbraw/zinc/70/01/65/429700165.db2.gz DLIRBRXPIMACRZ-TXEJJXNPSA-N 1 1 311.769 2.523 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450792465 429701992 /nfs/dbraw/zinc/70/19/92/429701992.db2.gz NPWMWCXJQWMHFM-PHIMTYICSA-N 1 1 311.769 2.523 20 5 DFBDMO Cc1ccc(CNc2[nH+]c3ccc(F)cc3n2C)cc1[N+](=O)[O-] ZINC000464347252 429708194 /nfs/dbraw/zinc/70/81/94/429708194.db2.gz XKGMUNTUTHPTHT-UHFFFAOYSA-N 1 1 314.320 3.541 20 5 DFBDMO CCCC[N@H+]1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000470857437 429711780 /nfs/dbraw/zinc/71/17/80/429711780.db2.gz CRVBLLSIKJFWHM-AWEZNQCLSA-N 1 1 306.410 3.365 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527034854 429719617 /nfs/dbraw/zinc/71/96/17/429719617.db2.gz HBNRTWRLJALJHA-UHFFFAOYSA-N 1 1 323.441 2.676 20 5 DFBDMO Cc1cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc([N+](=O)[O-])c1 ZINC000368186686 429805339 /nfs/dbraw/zinc/80/53/39/429805339.db2.gz ACFFNGHUPSAFPL-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000367946364 429750233 /nfs/dbraw/zinc/75/02/33/429750233.db2.gz XFGYQFKLWWYZJJ-QWHCGFSZSA-N 1 1 303.362 2.836 20 5 DFBDMO C[N@@H+](CCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000493399371 429753999 /nfs/dbraw/zinc/75/39/99/429753999.db2.gz ZADRBPGFVPLKEW-WDZFZDKYSA-N 1 1 317.389 2.599 20 5 DFBDMO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000367995507 429762100 /nfs/dbraw/zinc/76/21/00/429762100.db2.gz NBKRIYLXYGSDCQ-WCQYABFASA-N 1 1 300.362 2.834 20 5 DFBDMO CC(C)[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000487078536 429764106 /nfs/dbraw/zinc/76/41/06/429764106.db2.gz MSQDTEMMDHKBPT-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000451077489 429764955 /nfs/dbraw/zinc/76/49/55/429764955.db2.gz BJSGIXSMVNEPOP-CYBMUJFWSA-N 1 1 319.405 2.520 20 5 DFBDMO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000451088433 429766581 /nfs/dbraw/zinc/76/65/81/429766581.db2.gz YJTHQPSPZNNNKO-LBPRGKRZSA-N 1 1 307.369 2.650 20 5 DFBDMO CCOc1cc(C[N@@H+](C)CC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000493734868 429820174 /nfs/dbraw/zinc/82/01/74/429820174.db2.gz GGXWMVPDGVKPJP-CQSZACIVSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000493734867 429820493 /nfs/dbraw/zinc/82/04/93/429820493.db2.gz GGXWMVPDGVKPJP-AWEZNQCLSA-N 1 1 308.378 2.994 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000368564948 429868577 /nfs/dbraw/zinc/86/85/77/429868577.db2.gz YECRJOOTZVKOEN-NEPJUHHUSA-N 1 1 310.785 2.706 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451413659 429824371 /nfs/dbraw/zinc/82/43/71/429824371.db2.gz CGPJJJMJPLIWDQ-OAGGEKHMSA-N 1 1 320.389 2.729 20 5 DFBDMO CC1(C)CCC[N@H+]1CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493759948 429825290 /nfs/dbraw/zinc/82/52/90/429825290.db2.gz RWPAHYWCCYVULX-FPLPWBNLSA-N 1 1 317.389 2.599 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000451411330 429825320 /nfs/dbraw/zinc/82/53/20/429825320.db2.gz DWTSHRQLUHOXSS-ZACQAIPSSA-N 1 1 320.389 2.599 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000451415259 429826728 /nfs/dbraw/zinc/82/67/28/429826728.db2.gz FNSQPUCKWDJPME-SQWLQELKSA-N 1 1 320.389 2.729 20 5 DFBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000368316287 429830447 /nfs/dbraw/zinc/83/04/47/429830447.db2.gz PACLSJNXDDJXKV-AWEZNQCLSA-N 1 1 306.362 2.534 20 5 DFBDMO COC(=O)C1(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451545180 429850425 /nfs/dbraw/zinc/85/04/25/429850425.db2.gz GVZISJKYNXOWRK-CQSZACIVSA-N 1 1 318.373 2.727 20 5 DFBDMO COC(=O)[C@H](C1CC1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545960 429850540 /nfs/dbraw/zinc/85/05/40/429850540.db2.gz IGJFWOPXUDMUMB-HOCLYGCPSA-N 1 1 318.373 2.726 20 5 DFBDMO COC(=O)[C@H](C1CC1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545960 429850542 /nfs/dbraw/zinc/85/05/42/429850542.db2.gz IGJFWOPXUDMUMB-HOCLYGCPSA-N 1 1 318.373 2.726 20 5 DFBDMO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551699 429851489 /nfs/dbraw/zinc/85/14/89/429851489.db2.gz UQFGPAIMGSFPMG-RDJZCZTQSA-N 1 1 322.405 2.560 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000451555077 429853610 /nfs/dbraw/zinc/85/36/10/429853610.db2.gz BAJZBOKNIQERQS-YGRLFVJLSA-N 1 1 312.341 2.599 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000451555077 429853611 /nfs/dbraw/zinc/85/36/11/429853611.db2.gz BAJZBOKNIQERQS-YGRLFVJLSA-N 1 1 312.341 2.599 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000368236271 429814509 /nfs/dbraw/zinc/81/45/09/429814509.db2.gz SSSXMNJFVWIOSB-WQVCFCJDSA-N 1 1 317.389 2.522 20 5 DFBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000368670613 429884716 /nfs/dbraw/zinc/88/47/16/429884716.db2.gz FGHMPIMFPISTHR-IAGOWNOFSA-N 1 1 317.389 2.570 20 5 DFBDMO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cccc1[N+](=O)[O-] ZINC000368685881 429886809 /nfs/dbraw/zinc/88/68/09/429886809.db2.gz BZQCEGVRIXXWNQ-VXGBXAGGSA-N 1 1 300.362 2.834 20 5 DFBDMO COc1ccc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000368824953 429896794 /nfs/dbraw/zinc/89/67/94/429896794.db2.gz MWEWKXLNKVIJRG-CYBMUJFWSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1ccc(CC[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369012987 429907320 /nfs/dbraw/zinc/90/73/20/429907320.db2.gz XGZMUGALAOMUPS-MRXNPFEDSA-N 1 1 314.389 2.979 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369060037 429909590 /nfs/dbraw/zinc/90/95/90/429909590.db2.gz AGYHJNKMERNCBS-IUODEOHRSA-N 1 1 317.389 2.646 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369060037 429909592 /nfs/dbraw/zinc/90/95/92/429909592.db2.gz AGYHJNKMERNCBS-IUODEOHRSA-N 1 1 317.389 2.646 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451700756 429874432 /nfs/dbraw/zinc/87/44/32/429874432.db2.gz OPMUFDVZUYRTPD-DVOMOZLQSA-N 1 1 320.389 2.586 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCCC[C@@H]12 ZINC000560093593 430021211 /nfs/dbraw/zinc/02/12/11/430021211.db2.gz MAUTWAZFQMCCLK-KBMXLJTQSA-N 1 1 319.405 2.657 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562257432 430113124 /nfs/dbraw/zinc/11/31/24/430113124.db2.gz UBXKAMSVFGVPEQ-ZIAGYGMSSA-N 1 1 321.421 2.935 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc4[nH]cnc4c3)nc2c1 ZINC000562578604 430150367 /nfs/dbraw/zinc/15/03/67/430150367.db2.gz TUIFDFACHQHBJY-UHFFFAOYSA-N 1 1 322.328 2.637 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc4nc[nH]c4c3)nc2c1 ZINC000562578604 430150374 /nfs/dbraw/zinc/15/03/74/430150374.db2.gz TUIFDFACHQHBJY-UHFFFAOYSA-N 1 1 322.328 2.637 20 5 DFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580547157 430132311 /nfs/dbraw/zinc/13/23/11/430132311.db2.gz WCTOMCHIMLARJI-IAQYHMDHSA-N 1 1 316.405 2.763 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000295144048 277178983 /nfs/dbraw/zinc/17/89/83/277178983.db2.gz ZYNUKLIUBPVYFO-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375414589 277288585 /nfs/dbraw/zinc/28/85/85/277288585.db2.gz ZSDUMMUIWOWEBF-GVDBMIGSSA-N 1 1 320.389 2.611 20 5 DFBDMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375414589 277288587 /nfs/dbraw/zinc/28/85/87/277288587.db2.gz ZSDUMMUIWOWEBF-GVDBMIGSSA-N 1 1 320.389 2.611 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000544189066 430275996 /nfs/dbraw/zinc/27/59/96/430275996.db2.gz CHCQOOLSVMSDHV-LBPRGKRZSA-N 1 1 305.378 2.901 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000544188817 430276430 /nfs/dbraw/zinc/27/64/30/430276430.db2.gz 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CC1CCC([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078991296 185142480 /nfs/dbraw/zinc/14/24/80/185142480.db2.gz CCJWODRNFDQDHW-ZBCRRDGASA-N 1 1 322.405 2.845 20 5 DFBDMO C[C@H]1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+]1C ZINC000591915868 398353180 /nfs/dbraw/zinc/35/31/80/398353180.db2.gz XQZSYDOBCVJMOF-WCQYABFASA-N 1 1 304.394 2.763 20 5 DFBDMO Cc1nc(N2CC[N@H+](C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596251635 398368477 /nfs/dbraw/zinc/36/84/77/398368477.db2.gz UBILXHPOMJVDNG-UHFFFAOYSA-N 1 1 304.394 2.753 20 5 DFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000015297030 398395043 /nfs/dbraw/zinc/39/50/43/398395043.db2.gz RNEIEYODVXGIHU-AWEZNQCLSA-N 1 1 314.341 2.867 20 5 DFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000015297030 398395044 /nfs/dbraw/zinc/39/50/44/398395044.db2.gz RNEIEYODVXGIHU-AWEZNQCLSA-N 1 1 314.341 2.867 20 5 DFBDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592154400 398393764 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DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596571305 398450475 /nfs/dbraw/zinc/45/04/75/398450475.db2.gz UEIHYRCUDCXKHA-AWEZNQCLSA-N 1 1 321.425 2.654 20 5 DFBDMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000026465263 398453444 /nfs/dbraw/zinc/45/34/44/398453444.db2.gz SXKUFFCOXSYHLB-LLVKDONJSA-N 1 1 309.366 2.662 20 5 DFBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000027271264 398461353 /nfs/dbraw/zinc/46/13/53/398461353.db2.gz XJJCRGALWDFRQB-UHFFFAOYSA-N 1 1 317.389 2.748 20 5 DFBDMO CCCC[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000027272435 398461405 /nfs/dbraw/zinc/46/14/05/398461405.db2.gz KXZAKGRTLUUYFT-UHFFFAOYSA-N 1 1 309.366 2.664 20 5 DFBDMO Cc1c(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000596635521 398467379 /nfs/dbraw/zinc/46/73/79/398467379.db2.gz LVCDLWXJDGLNTJ-LBPRGKRZSA-N 1 1 320.393 2.898 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000596637980 398468094 /nfs/dbraw/zinc/46/80/94/398468094.db2.gz QGVAAQFTIULPMG-ZDUSSCGKSA-N 1 1 320.393 2.898 20 5 DFBDMO Cc1cc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000459473208 299115336 /nfs/dbraw/zinc/11/53/36/299115336.db2.gz BCDYVSSINGOKPK-CYBMUJFWSA-N 1 1 320.393 2.757 20 5 DFBDMO C[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000459488448 299119150 /nfs/dbraw/zinc/11/91/50/299119150.db2.gz OGTGSHCOXNWGGE-JTQLQIEISA-N 1 1 314.345 2.819 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3c[nH+]cn3C2)c2ncccc12 ZINC000588067849 398480064 /nfs/dbraw/zinc/48/00/64/398480064.db2.gz UZCAUAFGYJKEKS-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000030142096 398496231 /nfs/dbraw/zinc/49/62/31/398496231.db2.gz LIYPEOMMAFNISO-CYBMUJFWSA-N 1 1 305.378 2.964 20 5 DFBDMO C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000031144739 398512201 /nfs/dbraw/zinc/51/22/01/398512201.db2.gz PHAOKPZMMXAKBU-UHFFFAOYSA-N 1 1 319.405 2.979 20 5 DFBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[N@@H+](CC)C1 ZINC000596844683 398512639 /nfs/dbraw/zinc/51/26/39/398512639.db2.gz ZCQDNZRAOFXTIB-AWEZNQCLSA-N 1 1 320.393 2.851 20 5 DFBDMO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000272634420 210038679 /nfs/dbraw/zinc/03/86/79/210038679.db2.gz NPDNTECENRAJKW-BXUZGUMPSA-N 1 1 311.813 2.863 20 5 DFBDMO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000032732552 398537081 /nfs/dbraw/zinc/53/70/81/398537081.db2.gz NSUUTVQMZUPTCL-KGLIPLIRSA-N 1 1 319.405 2.516 20 5 DFBDMO Cn1ccnc1[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589199824 398537395 /nfs/dbraw/zinc/53/73/95/398537395.db2.gz OJIGNIJTVRRYCK-VOKGJARPSA-N 1 1 312.373 2.831 20 5 DFBDMO COc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1C ZINC000319959450 398544344 /nfs/dbraw/zinc/54/43/44/398544344.db2.gz CRGUDCAGNMZMNU-QWHCGFSZSA-N 1 1 305.378 2.951 20 5 DFBDMO COc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000320207924 398546797 /nfs/dbraw/zinc/54/67/97/398546797.db2.gz PIYKARGPGAGLCR-SNVBAGLBSA-N 1 1 309.341 2.639 20 5 DFBDMO CCn1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000414215462 295778527 /nfs/dbraw/zinc/77/85/27/295778527.db2.gz XZBVPOQMADOTQQ-INIZCTEOSA-N 1 1 300.362 2.978 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000069064133 398545707 /nfs/dbraw/zinc/54/57/07/398545707.db2.gz RQROZLHNJBNAQU-NSHDSACASA-N 1 1 323.422 2.836 20 5 DFBDMO CCc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593188766 398567688 /nfs/dbraw/zinc/56/76/88/398567688.db2.gz PJSAIFHEBZGQHY-JHJVBQTASA-N 1 1 319.405 2.710 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnn1CC1CC1 ZINC000597121161 398570555 /nfs/dbraw/zinc/57/05/55/398570555.db2.gz MWEXPMGBRRQSBN-UHFFFAOYSA-N 1 1 314.389 2.876 20 5 DFBDMO CCOc1cc(N[C@H]2CCc3[nH+]c(C)cn3C2)ccc1[N+](=O)[O-] ZINC000092634651 398589302 /nfs/dbraw/zinc/58/93/02/398589302.db2.gz JISWPRCTAXXEEJ-ZDUSSCGKSA-N 1 1 316.361 2.925 20 5 DFBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000459674737 299162040 /nfs/dbraw/zinc/16/20/40/299162040.db2.gz LDJAEWCUUCAZTJ-AWEZNQCLSA-N 1 1 308.378 2.994 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)cn1 ZINC000072522158 398618874 /nfs/dbraw/zinc/61/88/74/398618874.db2.gz FHFGYGKIUYUUJE-QPJJXVBHSA-N 1 1 324.384 2.825 20 5 DFBDMO CC[C@@H]1CCCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000150741118 186062024 /nfs/dbraw/zinc/06/20/24/186062024.db2.gz DNYLXQKIFLCXMG-CQSZACIVSA-N 1 1 305.378 2.848 20 5 DFBDMO C[C@H](c1cccnc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664975 398629313 /nfs/dbraw/zinc/62/93/13/398629313.db2.gz WREDPGATPAWARG-OCCSQVGLSA-N 1 1 313.361 2.632 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1CCc2[nH+]ccn2C1 ZINC000593456502 398633900 /nfs/dbraw/zinc/63/39/00/398633900.db2.gz CIBSOUOJOCIYSV-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO CC[N@H+]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593462191 398635615 /nfs/dbraw/zinc/63/56/15/398635615.db2.gz AMSHQQXSKFOUTP-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO CC(C)(CO)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000590599652 398637601 /nfs/dbraw/zinc/63/76/01/398637601.db2.gz FDOZNHVCBOIPJC-MRXNPFEDSA-N 1 1 315.373 2.839 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000177893900 186200674 /nfs/dbraw/zinc/20/06/74/186200674.db2.gz USXBKUXMPMUUFF-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000265982846 186347627 /nfs/dbraw/zinc/34/76/27/186347627.db2.gz BVTCSGSUOPTBNQ-UHFFFAOYSA-N 1 1 320.389 2.866 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC000073109748 398661953 /nfs/dbraw/zinc/66/19/53/398661953.db2.gz JBSUORCHGVUAIA-UHFFFAOYSA-N 1 1 312.373 2.702 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172416589 198094184 /nfs/dbraw/zinc/09/41/84/198094184.db2.gz NIBYAMRORPZLGZ-UHFFFAOYSA-N 1 1 323.418 2.747 20 5 DFBDMO Cc1cccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000172842966 198156763 /nfs/dbraw/zinc/15/67/63/198156763.db2.gz JFXQGOPPYJBHIJ-AWEZNQCLSA-N 1 1 319.405 2.850 20 5 DFBDMO Cc1cccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000172842971 198156847 /nfs/dbraw/zinc/15/68/47/198156847.db2.gz JFXQGOPPYJBHIJ-CQSZACIVSA-N 1 1 319.405 2.850 20 5 DFBDMO CC(C)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000072717808 191221114 /nfs/dbraw/zinc/22/11/14/191221114.db2.gz HMJPXGBPJZNZDX-UHFFFAOYSA-N 1 1 305.378 2.901 20 5 DFBDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000331974884 234340255 /nfs/dbraw/zinc/34/02/55/234340255.db2.gz AGYXKIYKJQMHEO-UTUOFQBUSA-N 1 1 306.362 2.938 20 5 DFBDMO Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000174186181 198302613 /nfs/dbraw/zinc/30/26/13/198302613.db2.gz PZESXISEBGTAFS-OCCSQVGLSA-N 1 1 320.393 2.850 20 5 DFBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597854346 398704681 /nfs/dbraw/zinc/70/46/81/398704681.db2.gz GPHRVPJOVJEPQH-ZDUSSCGKSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1ccc(NCCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000073877724 398706652 /nfs/dbraw/zinc/70/66/52/398706652.db2.gz PWVLYBJLLDZMDL-UHFFFAOYSA-N 1 1 323.356 2.889 20 5 DFBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174864784 198394491 /nfs/dbraw/zinc/39/44/91/198394491.db2.gz FPTCJTYNLNUWRZ-DZGCQCFKSA-N 1 1 300.362 2.669 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c(F)c1 ZINC000590970334 398710725 /nfs/dbraw/zinc/71/07/25/398710725.db2.gz UEGZBQPIRMQHRS-DZGCQCFKSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c(F)c1 ZINC000590970334 398710728 /nfs/dbraw/zinc/71/07/28/398710728.db2.gz UEGZBQPIRMQHRS-DZGCQCFKSA-N 1 1 306.337 2.735 20 5 DFBDMO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000108496910 398712867 /nfs/dbraw/zinc/71/28/67/398712867.db2.gz WITDHGRCJYHAOD-CYBMUJFWSA-N 1 1 318.377 2.509 20 5 DFBDMO O=C(CC[N@H+]1CCC[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591013092 398714534 /nfs/dbraw/zinc/71/45/34/398714534.db2.gz JSKSUHQWRMRERH-OAHLLOKOSA-N 1 1 303.362 2.798 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591149544 398732552 /nfs/dbraw/zinc/73/25/52/398732552.db2.gz FTQCOMYEHZHZRF-LDYMZIIASA-N 1 1 318.299 2.761 20 5 DFBDMO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000591194752 398738047 /nfs/dbraw/zinc/73/80/47/398738047.db2.gz RELYYOMAYNKWOG-CQSZACIVSA-N 1 1 312.373 2.701 20 5 DFBDMO Cc1cccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000047119616 398737384 /nfs/dbraw/zinc/73/73/84/398737384.db2.gz FSYLZWNNDYCOSF-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000047187786 398738742 /nfs/dbraw/zinc/73/87/42/398738742.db2.gz HMHNVRBFSGVWCK-AWEZNQCLSA-N 1 1 319.405 2.837 20 5 DFBDMO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000047794791 398761333 /nfs/dbraw/zinc/76/13/33/398761333.db2.gz GFDPDSHFBJJGTO-AWEZNQCLSA-N 1 1 321.377 2.614 20 5 DFBDMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000047794791 398761336 /nfs/dbraw/zinc/76/13/36/398761336.db2.gz GFDPDSHFBJJGTO-AWEZNQCLSA-N 1 1 321.377 2.614 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594199374 398764020 /nfs/dbraw/zinc/76/40/20/398764020.db2.gz YDCFZSKLOCHSPQ-JKSUJKDBSA-N 1 1 317.389 2.650 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568250 192292942 /nfs/dbraw/zinc/29/29/42/192292942.db2.gz YOXXAEHMHRBWEQ-HNNXBMFYSA-N 1 1 321.421 2.637 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000120774521 398784111 /nfs/dbraw/zinc/78/41/11/398784111.db2.gz ANBKLSUJAWGWAQ-BETUJISGSA-N 1 1 322.409 2.598 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000120774521 398784115 /nfs/dbraw/zinc/78/41/15/398784115.db2.gz ANBKLSUJAWGWAQ-BETUJISGSA-N 1 1 322.409 2.598 20 5 DFBDMO O=C(CC[NH2+][C@H]1CCCC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000591767456 398786226 /nfs/dbraw/zinc/78/62/26/398786226.db2.gz ROPJKOPRBKGARS-LBPRGKRZSA-N 1 1 313.304 2.701 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000598342732 398796343 /nfs/dbraw/zinc/79/63/43/398796343.db2.gz LVEUQCJEAJLDFK-LBPRGKRZSA-N 1 1 323.418 2.531 20 5 DFBDMO CCOc1cc(C[N@H+](CC)Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000276840945 213126892 /nfs/dbraw/zinc/12/68/92/213126892.db2.gz CGTQJJDJXHXSLD-UHFFFAOYSA-N 1 1 318.377 2.749 20 5 DFBDMO CCOc1cc(C[N@@H+](CC)Cc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000276840945 213126895 /nfs/dbraw/zinc/12/68/95/213126895.db2.gz CGTQJJDJXHXSLD-UHFFFAOYSA-N 1 1 318.377 2.749 20 5 DFBDMO CCOc1cc(C[N@H+]2[C@@H](C)CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000276826546 213118140 /nfs/dbraw/zinc/11/81/40/213118140.db2.gz ALMFVLJRGDJDRT-JSGCOSHPSA-N 1 1 308.378 2.729 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c(Cl)c1 ZINC000594517712 398814858 /nfs/dbraw/zinc/81/48/58/398814858.db2.gz MBFAWGMTARZPMI-HOTGVXAUSA-N 1 1 318.760 2.996 20 5 DFBDMO O=[N+]([O-])c1c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc2sccn21 ZINC000594598032 398827772 /nfs/dbraw/zinc/82/77/72/398827772.db2.gz FYSRZGLFXOUPRT-MNOVXSKESA-N 1 1 321.406 2.733 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000594599337 398828248 /nfs/dbraw/zinc/82/82/48/398828248.db2.gz JGUNYOZCRIIIMT-ZFWWWQNUSA-N 1 1 315.377 2.900 20 5 DFBDMO COc1cc(C[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179932693 199096048 /nfs/dbraw/zinc/09/60/48/199096048.db2.gz WVUQNGJDNGHNLB-UHFFFAOYSA-N 1 1 316.304 2.842 20 5 DFBDMO COc1cc(C[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179932693 199096050 /nfs/dbraw/zinc/09/60/50/199096050.db2.gz WVUQNGJDNGHNLB-UHFFFAOYSA-N 1 1 316.304 2.842 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000051996811 398828763 /nfs/dbraw/zinc/82/87/63/398828763.db2.gz QFWCPQXFNWVABR-HOTGVXAUSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000051996811 398828764 /nfs/dbraw/zinc/82/87/64/398828764.db2.gz QFWCPQXFNWVABR-HOTGVXAUSA-N 1 1 306.362 2.617 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000052861389 398853806 /nfs/dbraw/zinc/85/38/06/398853806.db2.gz GQTAJRYJJMHXPC-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO O=[N+]([O-])c1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000594734918 398852000 /nfs/dbraw/zinc/85/20/00/398852000.db2.gz GSBLVYNDXWKZQG-CQSZACIVSA-N 1 1 309.435 2.868 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000076329611 398852140 /nfs/dbraw/zinc/85/21/40/398852140.db2.gz OFWSDMONVLYQDU-CQSZACIVSA-N 1 1 318.377 2.605 20 5 DFBDMO COC(=O)c1cc(NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000076776198 398868873 /nfs/dbraw/zinc/86/88/73/398868873.db2.gz XSFJUGACJWPNQL-GFCCVEGCSA-N 1 1 321.377 2.668 20 5 DFBDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594985941 398887258 /nfs/dbraw/zinc/88/72/58/398887258.db2.gz QHFRIAFUCVCRNJ-UHFFFAOYSA-N 1 1 304.325 2.635 20 5 DFBDMO Cc1cccc(NCCNc2ncc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000153768681 283374734 /nfs/dbraw/zinc/37/47/34/283374734.db2.gz SKCBBOUCBZOJEV-UHFFFAOYSA-N 1 1 307.741 2.871 20 5 DFBDMO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000595003437 398889396 /nfs/dbraw/zinc/88/93/96/398889396.db2.gz GQLBBLHOONSDRS-LLVKDONJSA-N 1 1 317.345 2.858 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[N@@H+](C)C(C)C ZINC000595004432 398889479 /nfs/dbraw/zinc/88/94/79/398889479.db2.gz RLIDLCHVZVZVHE-CYBMUJFWSA-N 1 1 309.410 2.984 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595001378 398889604 /nfs/dbraw/zinc/88/96/04/398889604.db2.gz TWYIWLOQYBOFCH-UHFFFAOYSA-N 1 1 309.410 2.813 20 5 DFBDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595001378 398889607 /nfs/dbraw/zinc/88/96/07/398889607.db2.gz TWYIWLOQYBOFCH-UHFFFAOYSA-N 1 1 309.410 2.813 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCC(C)CC1 ZINC000595006715 398890208 /nfs/dbraw/zinc/89/02/08/398890208.db2.gz IXEPIOVYMOIGQF-AWEZNQCLSA-N 1 1 321.421 2.986 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+]1CCCC[C@@H]1C ZINC000172823537 283387103 /nfs/dbraw/zinc/38/71/03/283387103.db2.gz YZBPGKQPHLDESK-LBPRGKRZSA-N 1 1 309.414 2.796 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000595013978 398891741 /nfs/dbraw/zinc/89/17/41/398891741.db2.gz SYIABSNYBXUJDM-QWHCGFSZSA-N 1 1 307.394 2.596 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000595013978 398891746 /nfs/dbraw/zinc/89/17/46/398891746.db2.gz SYIABSNYBXUJDM-QWHCGFSZSA-N 1 1 307.394 2.596 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000595013633 398891771 /nfs/dbraw/zinc/89/17/71/398891771.db2.gz QMZRULQYIIZFBU-MAZHCROVSA-N 1 1 319.405 2.881 20 5 DFBDMO CCCC[N@@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014464 398891866 /nfs/dbraw/zinc/89/18/66/398891866.db2.gz AJSZJYNMRWRNNO-ZDUSSCGKSA-N 1 1 309.410 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000595021588 398893650 /nfs/dbraw/zinc/89/36/50/398893650.db2.gz PXOKMTKTQYCBJG-CMPLNLGQSA-N 1 1 316.361 2.535 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000595030207 398895205 /nfs/dbraw/zinc/89/52/05/398895205.db2.gz YPINTUDLXYIJNA-XEZPLFJOSA-N 1 1 321.421 2.983 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CN(C(C)C)C[C@@H]1C ZINC000595030207 398895208 /nfs/dbraw/zinc/89/52/08/398895208.db2.gz YPINTUDLXYIJNA-XEZPLFJOSA-N 1 1 321.421 2.983 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000470208254 299293499 /nfs/dbraw/zinc/29/34/99/299293499.db2.gz YMAOTXBPPLIWER-WLYLOELOSA-N 1 1 317.389 2.584 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000470208254 299293503 /nfs/dbraw/zinc/29/35/03/299293503.db2.gz YMAOTXBPPLIWER-WLYLOELOSA-N 1 1 317.389 2.584 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000054981079 398915349 /nfs/dbraw/zinc/91/53/49/398915349.db2.gz FNFVTYGJMRWMFD-GHMZBOCLSA-N 1 1 323.422 2.836 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000595293452 398916901 /nfs/dbraw/zinc/91/69/01/398916901.db2.gz OALOTNGHCNQQCH-LLVKDONJSA-N 1 1 304.325 2.837 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000595293453 398916954 /nfs/dbraw/zinc/91/69/54/398916954.db2.gz OALOTNGHCNQQCH-NSHDSACASA-N 1 1 304.325 2.837 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188108098 200195377 /nfs/dbraw/zinc/19/53/77/200195377.db2.gz SQBIJFGRASHUQW-GJZGRUSLSA-N 1 1 318.398 2.864 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595344740 398925295 /nfs/dbraw/zinc/92/52/95/398925295.db2.gz OXEUMNQRACCDLY-CABCVRRESA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1noc(C[N@@H+](CCc2nccs2)C(C)C)c1[N+](=O)[O-] ZINC000595390041 398931128 /nfs/dbraw/zinc/93/11/28/398931128.db2.gz SYUTYXCJQHHAOH-UHFFFAOYSA-N 1 1 310.379 2.801 20 5 DFBDMO Cc1noc(C[N@H+](CCc2nccs2)C(C)C)c1[N+](=O)[O-] ZINC000595390041 398931131 /nfs/dbraw/zinc/93/11/31/398931131.db2.gz SYUTYXCJQHHAOH-UHFFFAOYSA-N 1 1 310.379 2.801 20 5 DFBDMO Cn1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417313807 296009257 /nfs/dbraw/zinc/00/92/57/296009257.db2.gz XIWWWLJDGALCHC-INIZCTEOSA-N 1 1 300.362 2.886 20 5 DFBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000471809810 299307397 /nfs/dbraw/zinc/30/73/97/299307397.db2.gz JETAYWNYHOOXRS-BXUZGUMPSA-N 1 1 302.330 2.810 20 5 DFBDMO CCCCO[C@@H]1C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595485198 398948465 /nfs/dbraw/zinc/94/84/65/398948465.db2.gz SHESQDLDNVPZJT-QWHCGFSZSA-N 1 1 311.382 2.965 20 5 DFBDMO Cc1[nH+]ccn1CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078336320 398949427 /nfs/dbraw/zinc/94/94/27/398949427.db2.gz OVOHKMFNTJLOSM-UHFFFAOYSA-N 1 1 319.321 2.900 20 5 DFBDMO C[NH+](C)Cc1ccsc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000447433003 297303884 /nfs/dbraw/zinc/30/38/84/297303884.db2.gz YLBNCJOVNDINJB-UHFFFAOYSA-N 1 1 305.359 2.970 20 5 DFBDMO COC(=O)C1([N@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000595538891 398960423 /nfs/dbraw/zinc/96/04/23/398960423.db2.gz WKOJITOPIMZPDX-UHFFFAOYSA-N 1 1 318.373 2.697 20 5 DFBDMO COC(=O)C1([N@@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000595538891 398960428 /nfs/dbraw/zinc/96/04/28/398960428.db2.gz WKOJITOPIMZPDX-UHFFFAOYSA-N 1 1 318.373 2.697 20 5 DFBDMO CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1CCC[N@H+]1CC ZINC000599368314 398964298 /nfs/dbraw/zinc/96/42/98/398964298.db2.gz AQVBEWOHXOSOTL-OAHLLOKOSA-N 1 1 321.421 2.910 20 5 DFBDMO CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+]1CC ZINC000599379929 398968149 /nfs/dbraw/zinc/96/81/49/398968149.db2.gz NOPDXFDMOMBVDI-HNNXBMFYSA-N 1 1 321.421 2.910 20 5 DFBDMO Cc1cnc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078670735 398979178 /nfs/dbraw/zinc/97/91/78/398979178.db2.gz PKGQIKFUVFXUAX-AWEZNQCLSA-N 1 1 304.394 2.975 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194937461 201312942 /nfs/dbraw/zinc/31/29/42/201312942.db2.gz UWQVKRXUGTTXDG-UHFFFAOYSA-N 1 1 316.361 2.570 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195308967 201376399 /nfs/dbraw/zinc/37/63/99/201376399.db2.gz QBIHSEJYMHVPCX-QLFBSQMISA-N 1 1 321.421 2.697 20 5 DFBDMO COC(=O)c1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000474791555 299338626 /nfs/dbraw/zinc/33/86/26/299338626.db2.gz RUDBEGVMNDDHID-NWDGAFQWSA-N 1 1 321.377 2.584 20 5 DFBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000600227288 399013823 /nfs/dbraw/zinc/01/38/23/399013823.db2.gz AFBNQFKRVAJOCG-CQSZACIVSA-N 1 1 317.389 2.732 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000595677640 399030444 /nfs/dbraw/zinc/03/04/44/399030444.db2.gz PPHDDYUVQLHTHU-UKRRQHHQSA-N 1 1 322.405 2.976 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000613587905 399031923 /nfs/dbraw/zinc/03/19/23/399031923.db2.gz HQAZUDNHAZBVLC-UHFFFAOYSA-N 1 1 324.352 2.505 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000613587905 399031925 /nfs/dbraw/zinc/03/19/25/399031925.db2.gz HQAZUDNHAZBVLC-UHFFFAOYSA-N 1 1 324.352 2.505 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599633430 399036270 /nfs/dbraw/zinc/03/62/70/399036270.db2.gz LYRSPFJCUZCOES-AVIFXLABSA-N 1 1 322.430 2.950 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091892462 193122797 /nfs/dbraw/zinc/12/27/97/193122797.db2.gz JOMYQRKHHIQKCK-CVEARBPZSA-N 1 1 303.406 2.962 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000599645154 399040272 /nfs/dbraw/zinc/04/02/72/399040272.db2.gz DBEDEQYOAPYZIK-UHFFFAOYSA-N 1 1 314.341 2.738 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000599645154 399040276 /nfs/dbraw/zinc/04/02/76/399040276.db2.gz DBEDEQYOAPYZIK-UHFFFAOYSA-N 1 1 314.341 2.738 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000057619826 399052531 /nfs/dbraw/zinc/05/25/31/399052531.db2.gz UJLSKWHASMKCRA-INIZCTEOSA-N 1 1 320.389 2.742 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc([N+](=O)[O-])c1 ZINC000600470021 399058391 /nfs/dbraw/zinc/05/83/91/399058391.db2.gz DSRNHPVWUFKSOW-HNNXBMFYSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595729069 399058126 /nfs/dbraw/zinc/05/81/26/399058126.db2.gz PSWJGEFRKJBKDS-HEHGZKQESA-N 1 1 317.389 2.565 20 5 DFBDMO COC(=O)C1C[C@@H](C)[NH+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599693643 399067715 /nfs/dbraw/zinc/06/77/15/399067715.db2.gz ZJWFDHIYLIFPFE-GHMZBOCLSA-N 1 1 324.352 2.896 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595748817 399069361 /nfs/dbraw/zinc/06/93/61/399069361.db2.gz HVKURDCSMGEZHE-LAQFHYBYSA-N 1 1 322.405 2.831 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CCF)C2)c1 ZINC000595755770 399072331 /nfs/dbraw/zinc/07/23/31/399072331.db2.gz QARWKSQWJXBRRR-GFCCVEGCSA-N 1 1 324.352 2.953 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755748 399072637 /nfs/dbraw/zinc/07/26/37/399072637.db2.gz PNDXJCXAVHJUTF-CYBMUJFWSA-N 1 1 323.368 2.913 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755748 399072643 /nfs/dbraw/zinc/07/26/43/399072643.db2.gz PNDXJCXAVHJUTF-CYBMUJFWSA-N 1 1 323.368 2.913 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595760161 399073365 /nfs/dbraw/zinc/07/33/65/399073365.db2.gz SGPFYBJBYZEYQI-WMLDXEAASA-N 1 1 320.389 2.850 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305169550 284037986 /nfs/dbraw/zinc/03/79/86/284037986.db2.gz TZRFERJRQUFVQA-ZDUSSCGKSA-N 1 1 318.295 2.730 20 5 DFBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599778322 399090002 /nfs/dbraw/zinc/09/00/02/399090002.db2.gz CRNCHLPMNHDHJY-HNNXBMFYSA-N 1 1 318.377 2.733 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808301 399093863 /nfs/dbraw/zinc/09/38/63/399093863.db2.gz CNKALWOAYQVGMJ-CHWSQXEVSA-N 1 1 303.362 2.574 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830192 399102199 /nfs/dbraw/zinc/10/21/99/399102199.db2.gz DLOKRRJMBBRUQG-UONOGXRCSA-N 1 1 317.389 2.600 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000338645238 284129234 /nfs/dbraw/zinc/12/92/34/284129234.db2.gz WDERHZXDDYHUIG-UHFFFAOYSA-N 1 1 316.361 2.791 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419371992 296137361 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Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000198374810 399193965 /nfs/dbraw/zinc/19/39/65/399193965.db2.gz CYTFZLWUHMKRBY-ZDUSSCGKSA-N 1 1 319.405 2.898 20 5 DFBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000063778374 399208152 /nfs/dbraw/zinc/20/81/52/399208152.db2.gz OLEMAZGXHRKONM-UHFFFAOYSA-N 1 1 319.405 2.931 20 5 DFBDMO COCCC[N@H+]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000081086228 399210291 /nfs/dbraw/zinc/21/02/91/399210291.db2.gz ZVBNJEZIBOUZQC-OAHLLOKOSA-N 1 1 321.421 2.700 20 5 DFBDMO CCOC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000064343880 399220815 /nfs/dbraw/zinc/22/08/15/399220815.db2.gz CVDLVEZWLWJGNT-UHFFFAOYSA-N 1 1 306.362 2.760 20 5 DFBDMO C[C@H](O)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601115516 399231931 /nfs/dbraw/zinc/23/19/31/399231931.db2.gz HMHOXENKZVZDEW-NSHDSACASA-N 1 1 301.346 2.740 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267407325 206043553 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313.357 2.934 20 5 DFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCCO1 ZINC000267596764 206166173 /nfs/dbraw/zinc/16/61/73/206166173.db2.gz KSTSTQNFEJTIQM-GFCCVEGCSA-N 1 1 305.334 2.737 20 5 DFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCCO1 ZINC000267596764 206166176 /nfs/dbraw/zinc/16/61/76/206166176.db2.gz KSTSTQNFEJTIQM-GFCCVEGCSA-N 1 1 305.334 2.737 20 5 DFBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000065533995 399245808 /nfs/dbraw/zinc/24/58/08/399245808.db2.gz MPXWHUGJNCQSRZ-UHFFFAOYSA-N 1 1 308.378 2.865 20 5 DFBDMO CC[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601176618 399248522 /nfs/dbraw/zinc/24/85/22/399248522.db2.gz XWSSMSSNZVOTOF-WCQYABFASA-N 1 1 301.346 2.934 20 5 DFBDMO CC[C@@H]1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601176617 399248635 /nfs/dbraw/zinc/24/86/35/399248635.db2.gz XWSSMSSNZVOTOF-DGCLKSJQSA-N 1 1 301.346 2.934 20 5 DFBDMO CCOc1cc(CN(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000421001889 296222877 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ZINC000284525470 218063550 /nfs/dbraw/zinc/06/35/50/218063550.db2.gz KKSQOXFTLVBFHD-CHWSQXEVSA-N 1 1 308.378 2.782 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000610369514 399362194 /nfs/dbraw/zinc/36/21/94/399362194.db2.gz HWWXYLOWVUZGBZ-UONOGXRCSA-N 1 1 317.389 2.743 20 5 DFBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000284881922 218219526 /nfs/dbraw/zinc/21/95/26/218219526.db2.gz TUCYNQCKWKGOTR-HNNXBMFYSA-N 1 1 319.405 2.784 20 5 DFBDMO COc1cccc([C@H](CO)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000610422026 399366571 /nfs/dbraw/zinc/36/65/71/399366571.db2.gz KIPOFXHUVGCXPE-WBMJQRKESA-N 1 1 316.357 2.988 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC12CCC2 ZINC000610433286 399368067 /nfs/dbraw/zinc/36/80/67/399368067.db2.gz AOOOKWZVCZVGNX-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(OC)cc1 ZINC000610447537 399368600 /nfs/dbraw/zinc/36/86/00/399368600.db2.gz JYXMDKJPWHBGBK-UHFFFAOYSA-N 1 1 318.377 2.712 20 5 DFBDMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000105899944 194165555 /nfs/dbraw/zinc/16/55/55/194165555.db2.gz HJMWTFROXFYPGG-INIZCTEOSA-N 1 1 300.362 2.937 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106789551 194252774 /nfs/dbraw/zinc/25/27/74/194252774.db2.gz UTFPNISFMKTQFA-CYBMUJFWSA-N 1 1 317.389 2.650 20 5 DFBDMO COC(=O)CCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000610652278 399389193 /nfs/dbraw/zinc/38/91/93/399389193.db2.gz WOWGYHXROTZSDY-UHFFFAOYSA-N 1 1 324.352 2.899 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000288598220 220273740 /nfs/dbraw/zinc/27/37/40/220273740.db2.gz WEAAJKPCQDOLHK-NSHDSACASA-N 1 1 317.345 2.507 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000288598220 220273744 /nfs/dbraw/zinc/27/37/44/220273744.db2.gz WEAAJKPCQDOLHK-NSHDSACASA-N 1 1 317.345 2.507 20 5 DFBDMO C[C@@H]1C[C@H](C)N(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422561017 296312756 /nfs/dbraw/zinc/31/27/56/296312756.db2.gz IMMNHFOLKSOYPW-PZAIXRNCSA-N 1 1 303.406 2.913 20 5 DFBDMO CC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602115195 399397455 /nfs/dbraw/zinc/39/74/55/399397455.db2.gz GUYPUEIUHQIWLR-SWLSCSKDSA-N 1 1 305.378 2.504 20 5 DFBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000602166608 399403617 /nfs/dbraw/zinc/40/36/17/399403617.db2.gz ISMOSPVMGPQMSY-UHFFFAOYSA-N 1 1 308.382 2.553 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)cc1 ZINC000610765568 399403845 /nfs/dbraw/zinc/40/38/45/399403845.db2.gz XDLSKGAZOIUKHD-QGZVFWFLSA-N 1 1 313.357 2.781 20 5 DFBDMO COC(=O)C1([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000611155547 399439483 /nfs/dbraw/zinc/43/94/83/399439483.db2.gz VVJSUSCTXQNHRH-UHFFFAOYSA-N 1 1 320.389 2.945 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C(F)F)C2)c2c(c1)COCO2 ZINC000611179346 399442181 /nfs/dbraw/zinc/44/21/81/399442181.db2.gz AZUVRPUMMAPSEG-VIFPVBQESA-N 1 1 314.288 2.548 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C(F)F)C2)c2c(c1)COCO2 ZINC000611179346 399442183 /nfs/dbraw/zinc/44/21/83/399442183.db2.gz AZUVRPUMMAPSEG-VIFPVBQESA-N 1 1 314.288 2.548 20 5 DFBDMO Cn1cc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])n1 ZINC000602469433 399452322 /nfs/dbraw/zinc/45/23/22/399452322.db2.gz SMOPRPOYEGINIS-UHFFFAOYSA-N 1 1 318.352 2.675 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1c[nH]c2ncncc12)C1CC1 ZINC000602438600 399444532 /nfs/dbraw/zinc/44/45/32/399444532.db2.gz GFFPKHGSTZQBJW-UHFFFAOYSA-N 1 1 323.356 2.982 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1c[nH]c2ncncc12)C1CC1 ZINC000602438600 399444534 /nfs/dbraw/zinc/44/45/34/399444534.db2.gz GFFPKHGSTZQBJW-UHFFFAOYSA-N 1 1 323.356 2.982 20 5 DFBDMO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000602442946 399445028 /nfs/dbraw/zinc/44/50/28/399445028.db2.gz CXEAXTFWTOUWKG-GFCCVEGCSA-N 1 1 318.377 2.920 20 5 DFBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000602442946 399445031 /nfs/dbraw/zinc/44/50/31/399445031.db2.gz CXEAXTFWTOUWKG-GFCCVEGCSA-N 1 1 318.377 2.920 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000602494312 399460513 /nfs/dbraw/zinc/46/05/13/399460513.db2.gz NMCHLIUUTQKVKF-NOZJJQNGSA-N 1 1 318.295 2.816 20 5 DFBDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602473301 399453889 /nfs/dbraw/zinc/45/38/89/399453889.db2.gz LTMWRHXVUAHFCS-ZDUSSCGKSA-N 1 1 302.378 2.700 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000611272159 399455528 /nfs/dbraw/zinc/45/55/28/399455528.db2.gz LSPAJNJIQAVLQZ-LBPRGKRZSA-N 1 1 324.402 2.693 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000611272159 399455531 /nfs/dbraw/zinc/45/55/31/399455531.db2.gz LSPAJNJIQAVLQZ-LBPRGKRZSA-N 1 1 324.402 2.693 20 5 DFBDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478453 399456913 /nfs/dbraw/zinc/45/69/13/399456913.db2.gz YKMBXFATLWLFAZ-IUODEOHRSA-N 1 1 300.362 2.706 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000611282364 399457296 /nfs/dbraw/zinc/45/72/96/399457296.db2.gz NQPINANOQXQDAI-OCCSQVGLSA-N 1 1 319.405 2.590 20 5 DFBDMO C[C@H](CN1CCCCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602510567 399464152 /nfs/dbraw/zinc/46/41/52/399464152.db2.gz ZQVPBEYKXLYOEO-GFCCVEGCSA-N 1 1 318.377 2.700 20 5 DFBDMO CC(C)[N@H+](CC(=O)N(C)CC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350707 184295297 /nfs/dbraw/zinc/29/52/97/184295297.db2.gz TZCBEKULBARJCU-UHFFFAOYSA-N 1 1 319.405 2.674 20 5 DFBDMO CC(C)[N@@H+](CC(=O)N(C)CC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350707 184295299 /nfs/dbraw/zinc/29/52/99/184295299.db2.gz TZCBEKULBARJCU-UHFFFAOYSA-N 1 1 319.405 2.674 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000066139924 184392166 /nfs/dbraw/zinc/39/21/66/184392166.db2.gz GDXMJUBINCNAPB-LLVKDONJSA-N 1 1 318.377 2.536 20 5 DFBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1sccc1[N+](=O)[O-] ZINC000611413561 399473329 /nfs/dbraw/zinc/47/33/29/399473329.db2.gz DBKAFVAMYHVRDC-UHFFFAOYSA-N 1 1 320.374 2.940 20 5 DFBDMO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000602583378 399483277 /nfs/dbraw/zinc/48/32/77/399483277.db2.gz QZBZFNZDZDGRJC-SNVBAGLBSA-N 1 1 317.345 2.869 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502300 399483390 /nfs/dbraw/zinc/48/33/90/399483390.db2.gz RAXUMVOURRWGIO-AAEUAGOBSA-N 1 1 323.368 2.912 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC000611515084 399485927 /nfs/dbraw/zinc/48/59/27/399485927.db2.gz NMOZHBFOERZHCN-ZDUSSCGKSA-N 1 1 305.378 2.518 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000611515084 399485930 /nfs/dbraw/zinc/48/59/30/399485930.db2.gz NMOZHBFOERZHCN-ZDUSSCGKSA-N 1 1 305.378 2.518 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1cccs1 ZINC000611522455 399488114 /nfs/dbraw/zinc/48/81/14/399488114.db2.gz ZZEKYWGJABLTHD-LBPRGKRZSA-N 1 1 306.391 2.998 20 5 DFBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602606312 399488610 /nfs/dbraw/zinc/48/86/10/399488610.db2.gz OWZIJGOQPVBZPX-UWVGGRQHSA-N 1 1 318.295 2.816 20 5 DFBDMO Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602634088 399497983 /nfs/dbraw/zinc/49/79/83/399497983.db2.gz OFZUEQXGAIHRSJ-JTQLQIEISA-N 1 1 320.315 2.739 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602634088 399497984 /nfs/dbraw/zinc/49/79/84/399497984.db2.gz OFZUEQXGAIHRSJ-JTQLQIEISA-N 1 1 320.315 2.739 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602641416 399499931 /nfs/dbraw/zinc/49/99/31/399499931.db2.gz AYCOKPOKJGWVDZ-INIZCTEOSA-N 1 1 318.352 2.631 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)nc2c1 ZINC000602653164 399503988 /nfs/dbraw/zinc/50/39/88/399503988.db2.gz NALIWGLFRRIEQZ-UKRRQHHQSA-N 1 1 317.345 2.879 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCn1cccn1 ZINC000347359550 285013350 /nfs/dbraw/zinc/01/33/50/285013350.db2.gz IBKXPRRFJUBANK-KAMYIIQDSA-N 1 1 300.362 2.827 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602675485 399515607 /nfs/dbraw/zinc/51/56/07/399515607.db2.gz JSDCMBZRFKLAAA-LBPRGKRZSA-N 1 1 320.393 2.946 20 5 DFBDMO COc1cc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000119811741 195041751 /nfs/dbraw/zinc/04/17/51/195041751.db2.gz FLQAJIYUKHUUMM-GWCFXTLKSA-N 1 1 311.357 2.883 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCSC1 ZINC000120050907 195087267 /nfs/dbraw/zinc/08/72/67/195087267.db2.gz FEKHELXAIWGARC-ZDUSSCGKSA-N 1 1 323.418 2.669 20 5 DFBDMO C[N@@H+]1CCC[C@@H](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602686854 399520670 /nfs/dbraw/zinc/52/06/70/399520670.db2.gz GISMKFCOTHQYJQ-LBPRGKRZSA-N 1 1 318.377 2.558 20 5 DFBDMO C[N@H+]1CCC[C@@H](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602686854 399520676 /nfs/dbraw/zinc/52/06/76/399520676.db2.gz GISMKFCOTHQYJQ-LBPRGKRZSA-N 1 1 318.377 2.558 20 5 DFBDMO CCCc1[nH+]ccn1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000270127010 208187494 /nfs/dbraw/zinc/18/74/94/208187494.db2.gz LMNCZULLUYUDPW-UHFFFAOYSA-N 1 1 305.334 2.831 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC=C(C)CC1 ZINC000270134063 208193205 /nfs/dbraw/zinc/19/32/05/208193205.db2.gz HMEZWSDEQADTAG-UHFFFAOYSA-N 1 1 319.361 2.584 20 5 DFBDMO CN1CC(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602711452 399533976 /nfs/dbraw/zinc/53/39/76/399533976.db2.gz YFOUIORLLCNXHO-UHFFFAOYSA-N 1 1 317.311 2.607 20 5 DFBDMO CN1CC(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602711452 399533980 /nfs/dbraw/zinc/53/39/80/399533980.db2.gz YFOUIORLLCNXHO-UHFFFAOYSA-N 1 1 317.311 2.607 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000374088540 285112152 /nfs/dbraw/zinc/11/21/52/285112152.db2.gz KJMKLOULJWBZII-UKRRQHHQSA-N 1 1 321.333 2.646 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000374088540 285112158 /nfs/dbraw/zinc/11/21/58/285112158.db2.gz KJMKLOULJWBZII-UKRRQHHQSA-N 1 1 321.333 2.646 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000347662958 285119424 /nfs/dbraw/zinc/11/94/24/285119424.db2.gz NTQFVSJBBWQHGN-OAHLLOKOSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000602760795 399559550 /nfs/dbraw/zinc/55/95/50/399559550.db2.gz BZVZSUIBCPRHQS-OAHLLOKOSA-N 1 1 300.362 2.719 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120246172 195126846 /nfs/dbraw/zinc/12/68/46/195126846.db2.gz BQCWOVIRFUEIIM-WQVCFCJDSA-N 1 1 320.389 2.719 20 5 DFBDMO C[N@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612028513 399561470 /nfs/dbraw/zinc/56/14/70/399561470.db2.gz CDGHJYNDNOOMSA-ZDUSSCGKSA-N 1 1 322.386 2.528 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1cccs1)C1CC1 ZINC000602765975 399562753 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DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000602789261 399574648 /nfs/dbraw/zinc/57/46/48/399574648.db2.gz YVVUANDYHUAZMO-UHFFFAOYSA-N 1 1 322.796 2.928 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000602798794 399579798 /nfs/dbraw/zinc/57/97/98/399579798.db2.gz WGCZZLOZASPHID-LLVKDONJSA-N 1 1 304.350 2.918 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccccc2C1(C)C ZINC000602801991 399581232 /nfs/dbraw/zinc/58/12/32/399581232.db2.gz OANWRXTVMUXRCH-UHFFFAOYSA-N 1 1 314.389 2.893 20 5 DFBDMO C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000423212637 296393095 /nfs/dbraw/zinc/39/30/95/296393095.db2.gz ISWHSNXHNFMVRT-RVSPLBMKSA-N 1 1 303.406 2.950 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602809335 399583794 /nfs/dbraw/zinc/58/37/94/399583794.db2.gz AZWHQPGHGREJQW-KRWDZBQOSA-N 1 1 314.389 2.926 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000602807841 399583898 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CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000155481320 197058939 /nfs/dbraw/zinc/05/89/39/197058939.db2.gz MNVIJGMMTWSKRX-GFCCVEGCSA-N 1 1 310.325 2.509 20 5 DFBDMO CC(C)([NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000155191705 197030185 /nfs/dbraw/zinc/03/01/85/197030185.db2.gz FPYFWOAQNJUDAS-UHFFFAOYSA-N 1 1 319.405 2.769 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602880280 399613462 /nfs/dbraw/zinc/61/34/62/399613462.db2.gz LADJYRLMJPUYCC-HNNXBMFYSA-N 1 1 302.334 2.534 20 5 DFBDMO C[N@H+](CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000347944639 285261793 /nfs/dbraw/zinc/26/17/93/285261793.db2.gz BGXPEUKYYPSMHW-UHFFFAOYSA-N 1 1 317.320 2.804 20 5 DFBDMO C[N@@H+](CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000347944639 285261794 /nfs/dbraw/zinc/26/17/94/285261794.db2.gz BGXPEUKYYPSMHW-UHFFFAOYSA-N 1 1 317.320 2.804 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602888149 399615922 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300.362 2.907 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CCF)CC1 ZINC000602949374 399636698 /nfs/dbraw/zinc/63/66/98/399636698.db2.gz ZGLZBUIVOKCZOG-LBPRGKRZSA-N 1 1 323.368 2.993 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 ZINC000602997251 399655175 /nfs/dbraw/zinc/65/51/75/399655175.db2.gz GIZLUFQMWQDKSR-ULQDDVLXSA-N 1 1 304.390 2.763 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000617322362 399661041 /nfs/dbraw/zinc/66/10/41/399661041.db2.gz MZGZDMCPJBVCII-LLVKDONJSA-N 1 1 324.402 2.693 20 5 DFBDMO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000603140905 399693037 /nfs/dbraw/zinc/69/30/37/399693037.db2.gz CJTJADRPWORGQD-CQSZACIVSA-N 1 1 323.368 2.536 20 5 DFBDMO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000603140905 399693039 /nfs/dbraw/zinc/69/30/39/399693039.db2.gz CJTJADRPWORGQD-CQSZACIVSA-N 1 1 323.368 2.536 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000294994930 224366552 /nfs/dbraw/zinc/36/65/52/224366552.db2.gz RARZYLGDARNDOE-CYBMUJFWSA-N 1 1 319.405 2.662 20 5 DFBDMO CCOC(=O)CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000121884117 195367317 /nfs/dbraw/zinc/36/73/17/195367317.db2.gz LUOQMANIPRKWFO-UHFFFAOYSA-N 1 1 312.391 2.822 20 5 DFBDMO Cc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000122038413 195393174 /nfs/dbraw/zinc/39/31/74/195393174.db2.gz OFLOLBQGOIIFSP-ZDUSSCGKSA-N 1 1 305.378 2.507 20 5 DFBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)s1 ZINC000348254116 285452276 /nfs/dbraw/zinc/45/22/76/285452276.db2.gz MKROICPLZSSIOM-ZETCQYMHSA-N 1 1 300.771 2.894 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000366650164 131282448 /nfs/dbraw/zinc/28/24/48/131282448.db2.gz DTQDVQPPRDCUTN-DZGCQCFKSA-N 1 1 302.330 2.711 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)nc2c1 ZINC000366654768 131305725 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DFBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173255364 145338432 /nfs/dbraw/zinc/33/84/32/145338432.db2.gz PXKHXBPCCRPPTI-OAHLLOKOSA-N 1 1 317.389 2.589 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000174823441 145392246 /nfs/dbraw/zinc/39/22/46/145392246.db2.gz RAICKNSBZVFKPN-INIZCTEOSA-N 1 1 314.389 2.889 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccco2)C1 ZINC000245409428 146067428 /nfs/dbraw/zinc/06/74/28/146067428.db2.gz MHBNXWDXXGTIJZ-TZMCWYRMSA-N 1 1 304.350 2.858 20 5 DFBDMO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245999049 146113529 /nfs/dbraw/zinc/11/35/29/146113529.db2.gz JNMRBERDUXWBTJ-SMDDNHRTSA-N 1 1 324.402 2.636 20 5 DFBDMO COC(=O)C[C@@H]1CSCC[N@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245999049 146113533 /nfs/dbraw/zinc/11/35/33/146113533.db2.gz JNMRBERDUXWBTJ-SMDDNHRTSA-N 1 1 324.402 2.636 20 5 DFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246848447 146156596 /nfs/dbraw/zinc/15/65/96/146156596.db2.gz CMZAOAWIHNSBIY-SWLSCSKDSA-N 1 1 318.377 2.543 20 5 DFBDMO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247796718 146170464 /nfs/dbraw/zinc/17/04/64/146170464.db2.gz ZSGMZDGXOXYUKO-WMLDXEAASA-N 1 1 314.389 2.917 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261927880 146304049 /nfs/dbraw/zinc/30/40/49/146304049.db2.gz CISICRYIMGAHSY-UHFFFAOYSA-N 1 1 309.797 2.824 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000354355987 147006248 /nfs/dbraw/zinc/00/62/48/147006248.db2.gz ZCIYABFXOKODJR-WDEREUQCSA-N 1 1 323.422 2.613 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000354375585 147014583 /nfs/dbraw/zinc/01/45/83/147014583.db2.gz BQFLKBKKEAUDJS-OAHLLOKOSA-N 1 1 319.405 2.898 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354419554 147030259 /nfs/dbraw/zinc/03/02/59/147030259.db2.gz XJQPBNHFHLLQBE-OAHLLOKOSA-N 1 1 319.405 2.898 20 5 DFBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000354508426 147062694 /nfs/dbraw/zinc/06/26/94/147062694.db2.gz NLCQFKJSHGVBGV-OCCSQVGLSA-N 1 1 313.361 2.632 20 5 DFBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])c(CC)nn1C ZINC000354564407 147080409 /nfs/dbraw/zinc/08/04/09/147080409.db2.gz KMJSVLQDSJDBHA-CYBMUJFWSA-N 1 1 323.441 2.957 20 5 DFBDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000354833552 147168824 /nfs/dbraw/zinc/16/88/24/147168824.db2.gz ODVNUZGNVMPANW-NWDGAFQWSA-N 1 1 318.352 2.938 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000355472296 147329814 /nfs/dbraw/zinc/32/98/14/147329814.db2.gz NCEQJAPSYZUDIQ-OAHLLOKOSA-N 1 1 310.419 2.593 20 5 DFBDMO Cc1ccccc1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000358270730 148313934 /nfs/dbraw/zinc/31/39/34/148313934.db2.gz FHGWHHKSQHWOGT-UHFFFAOYSA-N 1 1 300.362 2.764 20 5 DFBDMO Cc1cc(Cc2noc([C@@H]3C[N@H+](C)C[C@@H]3C)n2)ccc1[N+](=O)[O-] ZINC000361263841 149069894 /nfs/dbraw/zinc/06/98/94/149069894.db2.gz WEWJQEXFKCEDMR-WCQYABFASA-N 1 1 316.361 2.542 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3CCCCC[C@@H]32)c1 ZINC000361343156 149090264 /nfs/dbraw/zinc/09/02/64/149090264.db2.gz VBSLSAWTSZFYAP-UNEWFSDZSA-N 1 1 320.389 2.599 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000361661703 149185504 /nfs/dbraw/zinc/18/55/04/149185504.db2.gz OGRWJAIURZQBTD-TZMCWYRMSA-N 1 1 316.357 2.915 20 5 DFBDMO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000362528840 149297822 /nfs/dbraw/zinc/29/78/22/149297822.db2.gz OODNJEUTQDZMCE-GFCCVEGCSA-N 1 1 307.394 2.638 20 5 DFBDMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000362528840 149297825 /nfs/dbraw/zinc/29/78/25/149297825.db2.gz OODNJEUTQDZMCE-GFCCVEGCSA-N 1 1 307.394 2.638 20 5 DFBDMO Cc1c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cccc1[N+](=O)[O-] 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MRXWSYZFQOFJPL-JQWIXIFHSA-N 1 1 323.418 2.664 20 5 DFBDMO Cc1sc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000372949036 150206221 /nfs/dbraw/zinc/20/62/21/150206221.db2.gz MRXWSYZFQOFJPL-JQWIXIFHSA-N 1 1 323.418 2.664 20 5 DFBDMO Cn1ccnc1[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000372946023 150206324 /nfs/dbraw/zinc/20/63/24/150206324.db2.gz ISUHETNBWLSWBJ-OAHLLOKOSA-N 1 1 316.361 2.544 20 5 DFBDMO Cn1ccnc1[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000372946023 150206326 /nfs/dbraw/zinc/20/63/26/150206326.db2.gz ISUHETNBWLSWBJ-OAHLLOKOSA-N 1 1 316.361 2.544 20 5 DFBDMO CCCCCC[C@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372998088 150214262 /nfs/dbraw/zinc/21/42/62/150214262.db2.gz OTQHWHQQYIWIAG-HOCLYGCPSA-N 1 1 324.425 2.760 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000374355385 150351167 /nfs/dbraw/zinc/35/11/67/150351167.db2.gz XOBKABYZKMDXOO-JTQLQIEISA-N 1 1 306.753 2.976 20 5 DFBDMO C[N@@H+](C[C@H]1CC12CCN(c1ncc([N+](=O)[O-])s1)CC2)C1CC1 ZINC000374423887 150365247 /nfs/dbraw/zinc/36/52/47/150365247.db2.gz OIFJUEJOROOKCI-LLVKDONJSA-N 1 1 322.434 2.752 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](CC2CCCC2)C1 ZINC000375257370 150418875 /nfs/dbraw/zinc/41/88/75/150418875.db2.gz YBAKPGJRGITRBS-HNNXBMFYSA-N 1 1 319.405 2.659 20 5 DFBDMO CC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351748333 286209267 /nfs/dbraw/zinc/20/92/67/286209267.db2.gz HMUMBPCPYWLJCW-LLVKDONJSA-N 1 1 324.356 2.587 20 5 DFBDMO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351757047 286211401 /nfs/dbraw/zinc/21/14/01/286211401.db2.gz MFJMSGASMJOECC-ZDUSSCGKSA-N 1 1 300.305 2.608 20 5 DFBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351757047 286211402 /nfs/dbraw/zinc/21/14/02/286211402.db2.gz MFJMSGASMJOECC-ZDUSSCGKSA-N 1 1 300.305 2.608 20 5 DFBDMO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351973806 286258046 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426009745 /nfs/dbraw/zinc/00/97/45/426009745.db2.gz GDQLAVDCHAGHSC-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO CC(C)C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072492051 426017128 /nfs/dbraw/zinc/01/71/28/426017128.db2.gz WXSXQRBBKHQNJD-CYBMUJFWSA-N 1 1 305.378 2.901 20 5 DFBDMO CC1(C)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000112703102 426089187 /nfs/dbraw/zinc/08/91/87/426089187.db2.gz JBCVCUFDHZAIBS-UHFFFAOYSA-N 1 1 317.389 2.606 20 5 DFBDMO CC1(C)CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000112703102 426089189 /nfs/dbraw/zinc/08/91/89/426089189.db2.gz JBCVCUFDHZAIBS-UHFFFAOYSA-N 1 1 317.389 2.606 20 5 DFBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CC1 ZINC000112983077 426100511 /nfs/dbraw/zinc/10/05/11/426100511.db2.gz JJTVQMFISUXNPO-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000076481744 426112668 /nfs/dbraw/zinc/11/26/68/426112668.db2.gz SXANSGQWDKODLL-DOMZBBRYSA-N 1 1 319.405 2.706 20 5 DFBDMO Cc1oncc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000128750007 426131948 /nfs/dbraw/zinc/13/19/48/426131948.db2.gz DPUXPHPNQOQQJY-UHFFFAOYSA-N 1 1 317.345 2.935 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1([NH+](C)C)CCOCC1 ZINC000168303528 426134525 /nfs/dbraw/zinc/13/45/25/426134525.db2.gz XCJBOZQVLHYTDY-CQSZACIVSA-N 1 1 321.421 2.665 20 5 DFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000114459897 426135667 /nfs/dbraw/zinc/13/56/67/426135667.db2.gz JIUPHKUQLHBXOZ-CVEARBPZSA-N 1 1 308.378 2.599 20 5 DFBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000130003243 426144804 /nfs/dbraw/zinc/14/48/04/426144804.db2.gz TZOQVDZVQIRPIG-UHFFFAOYSA-N 1 1 316.361 2.618 20 5 DFBDMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130013904 426145307 /nfs/dbraw/zinc/14/53/07/426145307.db2.gz MWGXUZWVTJRHOE-INIZCTEOSA-N 1 1 322.405 2.735 20 5 DFBDMO CC(C)C[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000130287754 426153991 /nfs/dbraw/zinc/15/39/91/426153991.db2.gz PECIRQVZGJRXKR-CQSZACIVSA-N 1 1 305.378 2.704 20 5 DFBDMO CCCC[N@@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000078344324 426165652 /nfs/dbraw/zinc/16/56/52/426165652.db2.gz MHPSFYODPOCDMQ-UHFFFAOYSA-N 1 1 305.378 2.606 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000133750735 426183288 /nfs/dbraw/zinc/18/32/88/426183288.db2.gz UPXHWHOECCJUAG-MFKMUULPSA-N 1 1 310.785 2.564 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175016484 426275061 /nfs/dbraw/zinc/27/50/61/426275061.db2.gz LVYXRWHHYYBOIY-DZGCQCFKSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000174972380 426271912 /nfs/dbraw/zinc/27/19/12/426271912.db2.gz QMDXIWXNPUTILG-LSDHHAIUSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000117337556 426211578 /nfs/dbraw/zinc/21/15/78/426211578.db2.gz ZJFDFSDCBVNICO-UHFFFAOYSA-N 1 1 307.350 2.623 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171812436 426213905 /nfs/dbraw/zinc/21/39/05/426213905.db2.gz LWDZONOOYAOVPR-AWEZNQCLSA-N 1 1 306.366 2.591 20 5 DFBDMO CCOc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000339356290 268797004 /nfs/dbraw/zinc/79/70/04/268797004.db2.gz DGWCQDPDYHSOBY-GFCCVEGCSA-N 1 1 316.361 2.721 20 5 DFBDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000091099514 426340486 /nfs/dbraw/zinc/34/04/86/426340486.db2.gz ICUPOAACEPZUKK-NSHDSACASA-N 1 1 311.407 2.607 20 5 DFBDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090565344 426327229 /nfs/dbraw/zinc/32/72/29/426327229.db2.gz CIPDCSXPDYZPFJ-AWEZNQCLSA-N 1 1 307.394 2.657 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2COC)C1 ZINC000175152178 426282364 /nfs/dbraw/zinc/28/23/64/426282364.db2.gz YGYKZYAWIZAVQD-AWEZNQCLSA-N 1 1 321.421 2.909 20 5 DFBDMO CC(C)C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000119363020 426283032 /nfs/dbraw/zinc/28/30/32/426283032.db2.gz QGKLKMCSWWOVCF-CYBMUJFWSA-N 1 1 319.405 2.952 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)C ZINC000153725447 426401390 /nfs/dbraw/zinc/40/13/90/426401390.db2.gz NRIVVAJKTFLDPX-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000153760670 426405017 /nfs/dbraw/zinc/40/50/17/426405017.db2.gz CQOYLDIXXYDVDV-LBPRGKRZSA-N 1 1 323.393 2.908 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000152790133 426353979 /nfs/dbraw/zinc/35/39/79/426353979.db2.gz DFLJWBOLDCTFNM-KRWDZBQOSA-N 1 1 316.332 2.826 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000152790133 426353981 /nfs/dbraw/zinc/35/39/81/426353981.db2.gz DFLJWBOLDCTFNM-KRWDZBQOSA-N 1 1 316.332 2.826 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1ccccn1 ZINC000152943308 426362874 /nfs/dbraw/zinc/36/28/74/426362874.db2.gz SUOWITPHFVLQIR-UHFFFAOYSA-N 1 1 315.373 2.933 20 5 DFBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000122685811 426388962 /nfs/dbraw/zinc/38/89/62/426388962.db2.gz AXTBDDQRUDKPCP-OAHLLOKOSA-N 1 1 319.405 2.771 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000122685811 426388964 /nfs/dbraw/zinc/38/89/64/426388964.db2.gz AXTBDDQRUDKPCP-OAHLLOKOSA-N 1 1 319.405 2.771 20 5 DFBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000123000033 426408457 /nfs/dbraw/zinc/40/84/57/426408457.db2.gz ANOPXALESQJDGC-STQMWFEESA-N 1 1 305.378 2.901 20 5 DFBDMO C[C@H](F)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000340470193 268979865 /nfs/dbraw/zinc/97/98/65/268979865.db2.gz NHNUGEOJKMDOHZ-FZMZJTMJSA-N 1 1 306.341 2.755 20 5 DFBDMO C[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177032998 426436865 /nfs/dbraw/zinc/43/68/65/426436865.db2.gz MCVMYBNYAREJNN-ONGXEEELSA-N 1 1 323.780 2.603 20 5 DFBDMO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000177084052 426443257 /nfs/dbraw/zinc/44/32/57/426443257.db2.gz ZHFPIUVZHBFZRX-GXTWGEPZSA-N 1 1 318.377 2.604 20 5 DFBDMO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000340896288 269028800 /nfs/dbraw/zinc/02/88/00/269028800.db2.gz IWEDRDOQFWFHIM-CHWSQXEVSA-N 1 1 307.394 2.796 20 5 DFBDMO Cc1ccnc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000154900679 426458880 /nfs/dbraw/zinc/45/88/80/426458880.db2.gz IZZQBRBBPKLQAB-CYBMUJFWSA-N 1 1 304.394 2.751 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000123904158 426459672 /nfs/dbraw/zinc/45/96/72/426459672.db2.gz APYSSBONFFMZOO-INIZCTEOSA-N 1 1 308.378 2.729 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](C)(O)C1 ZINC000123904158 426459674 /nfs/dbraw/zinc/45/96/74/426459674.db2.gz APYSSBONFFMZOO-INIZCTEOSA-N 1 1 308.378 2.729 20 5 DFBDMO C[N@@H+](CCNc1ncnc2sc([N+](=O)[O-])cc21)C1CCCC1 ZINC000288145427 426512147 /nfs/dbraw/zinc/51/21/47/426512147.db2.gz YYVXDDOYBLXXCL-UHFFFAOYSA-N 1 1 321.406 2.886 20 5 DFBDMO C[NH+](C)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000195324378 426516702 /nfs/dbraw/zinc/51/67/02/426516702.db2.gz IZNQQEHBAAHAAA-INIZCTEOSA-N 1 1 313.357 2.514 20 5 DFBDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000264147544 426505055 /nfs/dbraw/zinc/50/50/55/426505055.db2.gz ZKGMYXWYABJOBF-CQSZACIVSA-N 1 1 316.361 2.674 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000264147544 426505063 /nfs/dbraw/zinc/50/50/63/426505063.db2.gz ZKGMYXWYABJOBF-CQSZACIVSA-N 1 1 316.361 2.674 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000221644431 426579052 /nfs/dbraw/zinc/57/90/52/426579052.db2.gz WBUBIOVMHBYDDR-UHFFFAOYSA-N 1 1 313.785 2.708 20 5 DFBDMO CCc1ccc(Oc2ncnc3c2C[N@@H+](C)CC3)c([N+](=O)[O-])c1 ZINC000265167815 426590169 /nfs/dbraw/zinc/59/01/69/426590169.db2.gz ANNOOMPDGGOHNR-UHFFFAOYSA-N 1 1 314.345 2.727 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280593789 426608549 /nfs/dbraw/zinc/60/85/49/426608549.db2.gz UNBBRRYXHCOCCA-ZQIUZPCESA-N 1 1 320.389 2.844 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280593789 426608551 /nfs/dbraw/zinc/60/85/51/426608551.db2.gz UNBBRRYXHCOCCA-ZQIUZPCESA-N 1 1 320.389 2.844 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000280601626 426610492 /nfs/dbraw/zinc/61/04/92/426610492.db2.gz YGZGPIJFOALAPR-ZQIUZPCESA-N 1 1 320.389 2.672 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000178361259 426613768 /nfs/dbraw/zinc/61/37/68/426613768.db2.gz IDKQAGUCMBUPOP-ZDUSSCGKSA-N 1 1 308.378 2.850 20 5 DFBDMO CC1=CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000280706585 426638946 /nfs/dbraw/zinc/63/89/46/426638946.db2.gz CZWGAPZECCHHQE-UHFFFAOYSA-N 1 1 307.325 2.715 20 5 DFBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000280886317 426677394 /nfs/dbraw/zinc/67/73/94/426677394.db2.gz FBLIZHFHHDIOKM-ZDUSSCGKSA-N 1 1 321.377 2.715 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000273245966 426626439 /nfs/dbraw/zinc/62/64/39/426626439.db2.gz ZQJLDQDKCMTUDF-ABAIWWIYSA-N 1 1 309.797 2.774 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000266125681 426722469 /nfs/dbraw/zinc/72/24/69/426722469.db2.gz PYMUGOWXTRVSMH-STQMWFEESA-N 1 1 300.362 2.879 20 5 DFBDMO CCC(=O)c1ccc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000281513119 426721868 /nfs/dbraw/zinc/72/18/68/426721868.db2.gz PSKUEKRQAUEZSJ-LRDDRELGSA-N 1 1 317.389 2.718 20 5 DFBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000274520333 426785129 /nfs/dbraw/zinc/78/51/29/426785129.db2.gz SBCHRSWOABVHCZ-HNNXBMFYSA-N 1 1 319.405 2.516 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266880610 426787801 /nfs/dbraw/zinc/78/78/01/426787801.db2.gz WQDCKFCNKOHVTB-JOYOIKCWSA-N 1 1 304.268 2.655 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266880610 426787805 /nfs/dbraw/zinc/78/78/05/426787805.db2.gz WQDCKFCNKOHVTB-JOYOIKCWSA-N 1 1 304.268 2.655 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000188123745 426724718 /nfs/dbraw/zinc/72/47/18/426724718.db2.gz UXPOXEQRSUGZDO-CQSZACIVSA-N 1 1 317.389 2.638 20 5 DFBDMO CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266566873 426739799 /nfs/dbraw/zinc/73/97/99/426739799.db2.gz ZYNSFQWZRFEHKX-OCCSQVGLSA-N 1 1 305.378 2.504 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000245442525 426740104 /nfs/dbraw/zinc/74/01/04/426740104.db2.gz ICFVSANUYBHYRX-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245541859 426751212 /nfs/dbraw/zinc/75/12/12/426751212.db2.gz JPUBNXXCPBBDAK-SWLSCSKDSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000179103926 426752478 /nfs/dbraw/zinc/75/24/78/426752478.db2.gz LGUAOJUCLNLGFX-OCCSQVGLSA-N 1 1 308.378 2.729 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266939524 426800865 /nfs/dbraw/zinc/80/08/65/426800865.db2.gz QSGHQZNCMXNPNK-CYBMUJFWSA-N 1 1 316.361 2.576 20 5 DFBDMO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595580 426801524 /nfs/dbraw/zinc/80/15/24/426801524.db2.gz VPRBYZGIFIOTLB-AFDQWNBZSA-N 1 1 303.406 2.880 20 5 DFBDMO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595580 426801527 /nfs/dbraw/zinc/80/15/27/426801527.db2.gz VPRBYZGIFIOTLB-AFDQWNBZSA-N 1 1 303.406 2.880 20 5 DFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595580 426801532 /nfs/dbraw/zinc/80/15/32/426801532.db2.gz VPRBYZGIFIOTLB-AFDQWNBZSA-N 1 1 303.406 2.880 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000267047523 426815287 /nfs/dbraw/zinc/81/52/87/426815287.db2.gz PYWHHYQOYABTPZ-GFCCVEGCSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000267047523 426815293 /nfs/dbraw/zinc/81/52/93/426815293.db2.gz PYWHHYQOYABTPZ-GFCCVEGCSA-N 1 1 320.324 2.805 20 5 DFBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(F)c1 ZINC000267041284 426816207 /nfs/dbraw/zinc/81/62/07/426816207.db2.gz DCVOGJIDQAVGPI-UHFFFAOYSA-N 1 1 306.341 2.841 20 5 DFBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000290776391 426837528 /nfs/dbraw/zinc/83/75/28/426837528.db2.gz CPJUENGMOFJUGM-HNNXBMFYSA-N 1 1 300.362 2.855 20 5 DFBDMO C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])N(C)C ZINC000290834897 426849316 /nfs/dbraw/zinc/84/93/16/426849316.db2.gz IHGSAXQCZFSWIN-MRVPVSSYSA-N 1 1 306.193 2.941 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247200992 426915274 /nfs/dbraw/zinc/91/52/74/426915274.db2.gz OZZZLPBTEWYWMJ-IUODEOHRSA-N 1 1 301.350 2.584 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000267298751 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427276444 /nfs/dbraw/zinc/27/64/44/427276444.db2.gz RPHWUPZIJDADGO-ZFWWWQNUSA-N 1 1 321.421 2.908 20 5 DFBDMO COC[C@@]1(C)CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000296920640 427277203 /nfs/dbraw/zinc/27/72/03/427277203.db2.gz WQHNWYJJRFIPDQ-HNNXBMFYSA-N 1 1 312.341 2.601 20 5 DFBDMO COC[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000296920640 427277209 /nfs/dbraw/zinc/27/72/09/427277209.db2.gz WQHNWYJJRFIPDQ-HNNXBMFYSA-N 1 1 312.341 2.601 20 5 DFBDMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000191357860 427327652 /nfs/dbraw/zinc/32/76/52/427327652.db2.gz DBTNITOILKYBSV-ZDUSSCGKSA-N 1 1 320.393 2.817 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285624227 427293415 /nfs/dbraw/zinc/29/34/15/427293415.db2.gz QUSVCQNPPVMEAM-ZDUSSCGKSA-N 1 1 318.295 2.874 20 5 DFBDMO C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628340 427388230 /nfs/dbraw/zinc/38/82/30/427388230.db2.gz HJGVYOGFVONQJO-CHWSQXEVSA-N 1 1 306.410 2.560 20 5 DFBDMO C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628340 427388237 /nfs/dbraw/zinc/38/82/37/427388237.db2.gz HJGVYOGFVONQJO-CHWSQXEVSA-N 1 1 306.410 2.560 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000184474040 427468146 /nfs/dbraw/zinc/46/81/46/427468146.db2.gz DLSAYJMBVQIMAO-CYBMUJFWSA-N 1 1 318.377 2.524 20 5 DFBDMO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000271267802 427472994 /nfs/dbraw/zinc/47/29/94/427472994.db2.gz AFHDBDBWLWIINV-SNVBAGLBSA-N 1 1 305.309 2.988 20 5 DFBDMO COc1cc(C[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])cc1F ZINC000184272182 427428038 /nfs/dbraw/zinc/42/80/38/427428038.db2.gz BHRLEKPBDJPVGN-UHFFFAOYSA-N 1 1 319.336 2.812 20 5 DFBDMO COc1cc(C[N@@H+](C)CCc2ccccn2)c([N+](=O)[O-])cc1F ZINC000184272182 427428043 /nfs/dbraw/zinc/42/80/43/427428043.db2.gz BHRLEKPBDJPVGN-UHFFFAOYSA-N 1 1 319.336 2.812 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000338678454 427435942 /nfs/dbraw/zinc/43/59/42/427435942.db2.gz QVWPJARUMHCLDP-CYBMUJFWSA-N 1 1 307.394 2.993 20 5 DFBDMO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413020 427437322 /nfs/dbraw/zinc/43/73/22/427437322.db2.gz FODZQEXJDIPWCV-LSDHHAIUSA-N 1 1 321.421 2.746 20 5 DFBDMO C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413020 427437325 /nfs/dbraw/zinc/43/73/25/427437325.db2.gz FODZQEXJDIPWCV-LSDHHAIUSA-N 1 1 321.421 2.746 20 5 DFBDMO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341101500 271780079 /nfs/dbraw/zinc/78/00/79/271780079.db2.gz PQBZPFMJPNNQSG-LBPRGKRZSA-N 1 1 318.377 2.966 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@H](C)CC1 ZINC000192171680 427495379 /nfs/dbraw/zinc/49/53/79/427495379.db2.gz PGHQSXURELXABF-NEPJUHHUSA-N 1 1 323.418 2.749 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@H](C)CC1 ZINC000192171680 427495384 /nfs/dbraw/zinc/49/53/84/427495384.db2.gz PGHQSXURELXABF-NEPJUHHUSA-N 1 1 323.418 2.749 20 5 DFBDMO C[C@@H]([NH2+]Cc1cn2c(n1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293950621 427500017 /nfs/dbraw/zinc/50/00/17/427500017.db2.gz ZFZIAOPQPDIHIF-LLVKDONJSA-N 1 1 315.377 2.561 20 5 DFBDMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286440363 427526961 /nfs/dbraw/zinc/52/69/61/427526961.db2.gz NNDJNFZXLWFGAI-LSDHHAIUSA-N 1 1 314.332 2.998 20 5 DFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286440363 427526967 /nfs/dbraw/zinc/52/69/67/427526967.db2.gz NNDJNFZXLWFGAI-LSDHHAIUSA-N 1 1 314.332 2.998 20 5 DFBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286454809 427533107 /nfs/dbraw/zinc/53/31/07/427533107.db2.gz MPKCURSWIYRUBW-ZDUSSCGKSA-N 1 1 323.368 2.615 20 5 DFBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286454805 427534648 /nfs/dbraw/zinc/53/46/48/427534648.db2.gz MPKCURSWIYRUBW-CYBMUJFWSA-N 1 1 323.368 2.615 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000184789472 427539908 /nfs/dbraw/zinc/53/99/08/427539908.db2.gz ZASCCISZYKHMBT-UHFFFAOYSA-N 1 1 315.320 2.727 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000192496937 427550830 /nfs/dbraw/zinc/55/08/30/427550830.db2.gz PIDOOHNEWWNMIN-NWDGAFQWSA-N 1 1 309.414 2.652 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000286318640 427489602 /nfs/dbraw/zinc/48/96/02/427489602.db2.gz ULRLHXVAAXHBAU-PBWFPOADSA-N 1 1 317.389 2.600 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000332594328 427619983 /nfs/dbraw/zinc/61/99/83/427619983.db2.gz OLZUBSMWWIOMPP-UONOGXRCSA-N 1 1 317.389 2.520 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000332244512 427556917 /nfs/dbraw/zinc/55/69/17/427556917.db2.gz SIOLUZWBBFZYMX-VHRBIJSZSA-N 1 1 310.781 2.841 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000192543322 427559625 /nfs/dbraw/zinc/55/96/25/427559625.db2.gz NBJODOSJBHJNMY-ZDUSSCGKSA-N 1 1 309.414 2.652 20 5 DFBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192629621 427577378 /nfs/dbraw/zinc/57/73/78/427577378.db2.gz SZQDZKLWCNHLFS-RISCZKNCSA-N 1 1 305.378 2.704 20 5 DFBDMO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000271641170 427579711 /nfs/dbraw/zinc/57/97/11/427579711.db2.gz RKLBEIYULRAOKB-GHMZBOCLSA-N 1 1 318.333 2.569 20 5 DFBDMO CCOCC[N@H+]1CCN(c2c(C)cccc2[N+](=O)[O-])C[C@H]1CC ZINC000339016932 427628160 /nfs/dbraw/zinc/62/81/60/427628160.db2.gz LXTUKKIGPNWGHK-OAHLLOKOSA-N 1 1 321.421 2.840 20 5 DFBDMO O=C(C[N@H+]1CCC[C@@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000263999384 427629047 /nfs/dbraw/zinc/62/90/47/427629047.db2.gz NENQEDXPIYOTSS-CQSZACIVSA-N 1 1 303.362 2.798 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000264009843 427631369 /nfs/dbraw/zinc/63/13/69/427631369.db2.gz ILRVSFLVNNVHRT-KRWDZBQOSA-N 1 1 316.357 2.639 20 5 DFBDMO C[C@H]1C[N@@H+](CCCNc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000287539282 427632145 /nfs/dbraw/zinc/63/21/45/427632145.db2.gz BLXQTCMEXOUXMI-LBPRGKRZSA-N 1 1 311.357 2.647 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287558229 427638675 /nfs/dbraw/zinc/63/86/75/427638675.db2.gz WSTCIIGWYPLHRN-ZFWWWQNUSA-N 1 1 317.389 2.600 20 5 DFBDMO CC[C@H]([NH2+]Cc1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000193024560 427653508 /nfs/dbraw/zinc/65/35/08/427653508.db2.gz CKCORWQBPNHXIP-AWEZNQCLSA-N 1 1 311.345 2.878 20 5 DFBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000339094866 427671391 /nfs/dbraw/zinc/67/13/91/427671391.db2.gz YILICPMKJYQFLX-OAHLLOKOSA-N 1 1 306.362 2.691 20 5 DFBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000343080013 272083469 /nfs/dbraw/zinc/08/34/69/272083469.db2.gz UEDJAYXYNUTRDU-KBPBESRZSA-N 1 1 319.405 2.516 20 5 DFBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000185584453 427674101 /nfs/dbraw/zinc/67/41/01/427674101.db2.gz RJELTKMMRCAICT-SWLSCSKDSA-N 1 1 317.389 2.604 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000343576940 272175340 /nfs/dbraw/zinc/17/53/40/272175340.db2.gz TUSSJGDTWXLDNG-ZDUSSCGKSA-N 1 1 305.378 2.507 20 5 DFBDMO CCOC(=O)[C@H]1CCC[N@@H+]1[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000185619858 427680081 /nfs/dbraw/zinc/68/00/81/427680081.db2.gz VMXKOTMOFOODKL-CZUORRHYSA-N 1 1 320.389 2.943 20 5 DFBDMO CCOC(=O)[C@H]1CCC[N@H+]1[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000185619858 427680089 /nfs/dbraw/zinc/68/00/89/427680089.db2.gz VMXKOTMOFOODKL-CZUORRHYSA-N 1 1 320.389 2.943 20 5 DFBDMO Cc1c(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000343918039 272237418 /nfs/dbraw/zinc/23/74/18/272237418.db2.gz HCUFUMBKMAAYJE-CJNGLKHVSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000344009831 272249133 /nfs/dbraw/zinc/24/91/33/272249133.db2.gz INUQGLXCTMTCJW-ZDUSSCGKSA-N 1 1 303.362 2.574 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344011148 272249152 /nfs/dbraw/zinc/24/91/52/272249152.db2.gz SDMYYEQJEGTKLJ-GXTWGEPZSA-N 1 1 317.389 2.962 20 5 DFBDMO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000344243872 272295573 /nfs/dbraw/zinc/29/55/73/272295573.db2.gz PKZQSYMLISWZGS-NEPJUHHUSA-N 1 1 323.368 2.727 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1c1cccnc1 ZINC000344243302 272295725 /nfs/dbraw/zinc/29/57/25/272295725.db2.gz BATSGQLSFUUCHN-SJORKVTESA-N 1 1 313.357 2.952 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000344658120 272352332 /nfs/dbraw/zinc/35/23/32/272352332.db2.gz GRNHZRZHQJZQEE-AWEZNQCLSA-N 1 1 323.368 2.584 20 5 DFBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000185640245 427682223 /nfs/dbraw/zinc/68/22/23/427682223.db2.gz KEVWDZSKZRINAV-SMDDNHRTSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000344737853 272363840 /nfs/dbraw/zinc/36/38/40/272363840.db2.gz ZAFOABDCMBPYJY-OAHLLOKOSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H](F)C[C@@H]2CO)o1 ZINC000344834849 272376591 /nfs/dbraw/zinc/37/65/91/272376591.db2.gz SPJZDHCWSLAZKQ-NWDGAFQWSA-N 1 1 320.320 2.760 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H](F)C[C@@H]2CO)o1 ZINC000344834849 272376593 /nfs/dbraw/zinc/37/65/93/272376593.db2.gz SPJZDHCWSLAZKQ-NWDGAFQWSA-N 1 1 320.320 2.760 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000298721910 427687469 /nfs/dbraw/zinc/68/74/69/427687469.db2.gz JCNOUONJYYGNRK-DZGCQCFKSA-N 1 1 318.377 2.652 20 5 DFBDMO C[C@@H]1C[N@H+](CCCNc2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000301072062 427773766 /nfs/dbraw/zinc/77/37/66/427773766.db2.gz FXFZESNEURSQSY-TXEJJXNPSA-N 1 1 311.357 2.645 20 5 DFBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000193978837 427724541 /nfs/dbraw/zinc/72/45/41/427724541.db2.gz COGHUWYGEXUGGO-UHFFFAOYSA-N 1 1 311.363 2.830 20 5 DFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000193978837 427724546 /nfs/dbraw/zinc/72/45/46/427724546.db2.gz COGHUWYGEXUGGO-UHFFFAOYSA-N 1 1 311.363 2.830 20 5 DFBDMO Cc1ccnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000336705031 427748659 /nfs/dbraw/zinc/74/86/59/427748659.db2.gz HQINOAMWYROGSY-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336717849 427751464 /nfs/dbraw/zinc/75/14/64/427751464.db2.gz QRHJOJCSFOJYQX-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DFBDMO Cc1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000301479980 427798345 /nfs/dbraw/zinc/79/83/45/427798345.db2.gz RHMWNXHUHIZKQE-ZNMIVQPWSA-N 1 1 301.390 2.824 20 5 DFBDMO Cc1ccc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c([N+](=O)[O-])c1 ZINC000301512776 427802001 /nfs/dbraw/zinc/80/20/01/427802001.db2.gz IZNCNIJHNNDFQF-AWEZNQCLSA-N 1 1 307.394 2.672 20 5 DFBDMO Cc1ccc2c(c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)C2 ZINC000339635928 427804216 /nfs/dbraw/zinc/80/42/16/427804216.db2.gz FWALRQLRRHQRNX-UHFFFAOYSA-N 1 1 314.389 2.937 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000301562032 427805412 /nfs/dbraw/zinc/80/54/12/427805412.db2.gz KRPFJPGNYZBTIX-OKILXGFUSA-N 1 1 307.394 2.814 20 5 DFBDMO CSc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000337229810 427819583 /nfs/dbraw/zinc/81/95/83/427819583.db2.gz VGIDCZGBMSETPY-SNVBAGLBSA-N 1 1 306.391 2.901 20 5 DFBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000301822573 427826759 /nfs/dbraw/zinc/82/67/59/427826759.db2.gz HGJBXORQGGXVAW-GOEBONIOSA-N 1 1 316.336 2.986 20 5 DFBDMO Cc1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000301868516 427832059 /nfs/dbraw/zinc/83/20/59/427832059.db2.gz OCOGVUULKSIQPQ-UONOGXRCSA-N 1 1 305.378 2.568 20 5 DFBDMO Cc1ccc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000301868516 427832062 /nfs/dbraw/zinc/83/20/62/427832062.db2.gz OCOGVUULKSIQPQ-UONOGXRCSA-N 1 1 305.378 2.568 20 5 DFBDMO CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000337331831 427848152 /nfs/dbraw/zinc/84/81/52/427848152.db2.gz IMJMFSCWPFHGFV-NSHDSACASA-N 1 1 311.407 2.603 20 5 DFBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+]1CCCOCC1 ZINC000302799011 427872659 /nfs/dbraw/zinc/87/26/59/427872659.db2.gz BLGPPDPLIDTMEC-UHFFFAOYSA-N 1 1 313.785 2.691 20 5 DFBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+]1CCCOCC1 ZINC000302799011 427872663 /nfs/dbraw/zinc/87/26/63/427872663.db2.gz BLGPPDPLIDTMEC-UHFFFAOYSA-N 1 1 313.785 2.691 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302876087 427882491 /nfs/dbraw/zinc/88/24/91/427882491.db2.gz FWMNEXXAENJNBL-ZDUSSCGKSA-N 1 1 318.421 2.873 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000349961367 427906464 /nfs/dbraw/zinc/90/64/64/427906464.db2.gz GPSLRICKTXYKAJ-CHWSQXEVSA-N 1 1 318.295 2.791 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000350608775 427956673 /nfs/dbraw/zinc/95/66/73/427956673.db2.gz SSGLNWXJCXSTMM-AOOOYVTPSA-N 1 1 317.349 2.600 20 5 DFBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1F)Cc1ccc(F)cc1 ZINC000413175124 427980105 /nfs/dbraw/zinc/98/01/05/427980105.db2.gz QYQAYPIWHWGLNT-UHFFFAOYSA-N 1 1 322.315 2.812 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000341055058 427985050 /nfs/dbraw/zinc/98/50/50/427985050.db2.gz HXROKKJDCIBFEI-BETUJISGSA-N 1 1 305.378 2.588 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000413195213 427988903 /nfs/dbraw/zinc/98/89/03/427988903.db2.gz CJUDKBUOHRQSQW-ABAIWWIYSA-N 1 1 320.368 2.582 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345875409 427936600 /nfs/dbraw/zinc/93/66/00/427936600.db2.gz BKQCMPRRYBHVKL-VXGBXAGGSA-N 1 1 306.366 2.541 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000347350099 272780125 /nfs/dbraw/zinc/78/01/25/272780125.db2.gz CJTVGMTVCXVMHE-OOXMNIKJSA-N 1 1 301.390 2.778 20 5 DFBDMO C[N@H+]1CCC[C@H](CCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000413433309 428048346 /nfs/dbraw/zinc/04/83/46/428048346.db2.gz DDJSFRYXKKOCLM-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000369768894 428057484 /nfs/dbraw/zinc/05/74/84/428057484.db2.gz YKBWZAGHDIUZLH-HOTGVXAUSA-N 1 1 319.405 2.662 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000377174613 428077797 /nfs/dbraw/zinc/07/77/97/428077797.db2.gz HIJGESJPCQQNRP-XJKSGUPXSA-N 1 1 317.389 2.718 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000377185285 428078946 /nfs/dbraw/zinc/07/89/46/428078946.db2.gz PNXVMMZMELVGSL-GFCCVEGCSA-N 1 1 314.345 2.729 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369967971 428099795 /nfs/dbraw/zinc/09/97/95/428099795.db2.gz VHKXHBMKFWWMQG-ZIAGYGMSSA-N 1 1 305.378 2.780 20 5 DFBDMO Cc1c(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cccc1[N+](=O)[O-] ZINC000370017601 428111900 /nfs/dbraw/zinc/11/19/00/428111900.db2.gz KPNPSPVQLSTTLO-STQMWFEESA-N 1 1 303.362 2.716 20 5 DFBDMO C[C@@H]1C[C@@H](c2ccsc2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046233 428119167 /nfs/dbraw/zinc/11/91/67/428119167.db2.gz QHYIKHQQYIMRLD-ZYHUDNBSSA-N 1 1 306.391 2.768 20 5 DFBDMO CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412789 428126073 /nfs/dbraw/zinc/12/60/73/428126073.db2.gz OUWGMLAOWQZGQO-OCCSQVGLSA-N 1 1 300.362 2.916 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352354894 428132706 /nfs/dbraw/zinc/13/27/06/428132706.db2.gz FTISUBCXMIRXCO-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DFBDMO C[C@H]1C[C@@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000352620683 428173152 /nfs/dbraw/zinc/17/31/52/428173152.db2.gz HAKRZJJAFYRCLP-STQMWFEESA-N 1 1 306.362 2.604 20 5 DFBDMO COC1(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC000356519173 428214909 /nfs/dbraw/zinc/21/49/09/428214909.db2.gz HFBJECDUAZTHHG-UHFFFAOYSA-N 1 1 306.362 2.748 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c2ncccc12 ZINC000370680571 428273254 /nfs/dbraw/zinc/27/32/54/428273254.db2.gz IQLOFQTVSCUPMO-SNVBAGLBSA-N 1 1 309.329 2.836 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c2ncccc12 ZINC000370680571 428273258 /nfs/dbraw/zinc/27/32/58/428273258.db2.gz IQLOFQTVSCUPMO-SNVBAGLBSA-N 1 1 309.329 2.836 20 5 DFBDMO COC(=O)[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377982751 428278839 /nfs/dbraw/zinc/27/88/39/428278839.db2.gz ANFCFIYWFXRUBS-SMDDNHRTSA-N 1 1 306.362 2.787 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000342043430 428285250 /nfs/dbraw/zinc/28/52/50/428285250.db2.gz HKBYCSSVPLORFB-UHFFFAOYSA-N 1 1 310.304 2.631 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356741761 428290871 /nfs/dbraw/zinc/29/08/71/428290871.db2.gz MCAXJALECWKSAW-JTQLQIEISA-N 1 1 313.785 2.707 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773686 428241953 /nfs/dbraw/zinc/24/19/53/428241953.db2.gz UFCHADOYMZORIJ-DZGCQCFKSA-N 1 1 321.421 2.766 20 5 DFBDMO CS[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000352776977 428242032 /nfs/dbraw/zinc/24/20/32/428242032.db2.gz FINULYWTLLYHEN-DAXOMENPSA-N 1 1 323.462 2.942 20 5 DFBDMO CS[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000352776977 428242041 /nfs/dbraw/zinc/24/20/41/428242041.db2.gz FINULYWTLLYHEN-DAXOMENPSA-N 1 1 323.462 2.942 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352776521 428242248 /nfs/dbraw/zinc/24/22/48/428242248.db2.gz CRSFCIKTAQIXHV-LSDHHAIUSA-N 1 1 320.389 2.852 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000352780721 428245344 /nfs/dbraw/zinc/24/53/44/428245344.db2.gz VFCDKOGDAOCBHH-CYBMUJFWSA-N 1 1 316.361 2.706 20 5 DFBDMO Cn1ncc2c1CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000414471213 428307039 /nfs/dbraw/zinc/30/70/39/428307039.db2.gz KRVLYGDFMDTANL-DAXSKMNVSA-N 1 1 312.373 2.790 20 5 DFBDMO COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000352921457 428313715 /nfs/dbraw/zinc/31/37/15/428313715.db2.gz ISVLSJVPSWRTKR-YIONKMFJSA-N 1 1 319.405 2.660 20 5 DFBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC1 ZINC000356808247 428316263 /nfs/dbraw/zinc/31/62/63/428316263.db2.gz XXYCVDXLZWHOTQ-UHFFFAOYSA-N 1 1 323.418 2.532 20 5 DFBDMO COC(=O)[C@@]12C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000342149683 428323355 /nfs/dbraw/zinc/32/33/55/428323355.db2.gz GGOGUQFRQWKBSI-PBHICJAKSA-N 1 1 318.373 2.760 20 5 DFBDMO [NH3+][C@@H]1CCC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000346825543 428333771 /nfs/dbraw/zinc/33/37/71/428333771.db2.gz QJUABCCRYJRFNR-BKBYIFCJSA-N 1 1 301.390 2.667 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000353020045 428354487 /nfs/dbraw/zinc/35/44/87/428354487.db2.gz NSSJDPXNVAVMKS-JSGCOSHPSA-N 1 1 319.405 2.931 20 5 DFBDMO C[C@H](C1CCC1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000357036489 428372039 /nfs/dbraw/zinc/37/20/39/428372039.db2.gz KNMPYJWGEOWMKT-GFCCVEGCSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@H]1COCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000371175683 428375561 /nfs/dbraw/zinc/37/55/61/428375561.db2.gz HSFCUVKVPHAQDS-GFCCVEGCSA-N 1 1 317.345 2.718 20 5 DFBDMO C[C@H]1COCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000371175683 428375566 /nfs/dbraw/zinc/37/55/66/428375566.db2.gz HSFCUVKVPHAQDS-GFCCVEGCSA-N 1 1 317.345 2.718 20 5 DFBDMO CCCCN(CC)C(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342288048 428384395 /nfs/dbraw/zinc/38/43/95/428384395.db2.gz YIRWMUPUULJXEN-ZDUSSCGKSA-N 1 1 307.394 2.894 20 5 DFBDMO C[C@H](NC(=O)[C@H]1CCCc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000353102673 428386465 /nfs/dbraw/zinc/38/64/65/428386465.db2.gz RWUIULIITYDKKH-SMDDNHRTSA-N 1 1 314.345 2.546 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000414866142 428439496 /nfs/dbraw/zinc/43/94/96/428439496.db2.gz MFKVBBROYQHTQN-CWRNSKLLSA-N 1 1 303.406 2.648 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CNc1[nH+]c2ccccc2n1C ZINC000342702836 428441580 /nfs/dbraw/zinc/44/15/80/428441580.db2.gz GMKBKGAJEZEXDP-UHFFFAOYSA-N 1 1 312.329 3.102 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[N@@H+](C)C1CCCCC1 ZINC000360954557 428509335 /nfs/dbraw/zinc/50/93/35/428509335.db2.gz RLEROBRFRCBDRS-UHFFFAOYSA-N 1 1 323.441 2.820 20 5 DFBDMO C[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000357418581 428527562 /nfs/dbraw/zinc/52/75/62/428527562.db2.gz QCNOMWRPKHXHDO-PWSUYJOCSA-N 1 1 317.345 2.554 20 5 DFBDMO CCN(CC)C(=O)C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347348460 428560177 /nfs/dbraw/zinc/56/01/77/428560177.db2.gz YAUPOMNVLNANAX-GXDHUFHOSA-N 1 1 319.405 2.798 20 5 DFBDMO CCN(CC)C(=O)C[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347348460 428560179 /nfs/dbraw/zinc/56/01/79/428560179.db2.gz YAUPOMNVLNANAX-GXDHUFHOSA-N 1 1 319.405 2.798 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347366613 428564527 /nfs/dbraw/zinc/56/45/27/428564527.db2.gz ZZCPBFOIEVSNQW-HNNXBMFYSA-N 1 1 309.341 2.666 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343997539 428602252 /nfs/dbraw/zinc/60/22/52/428602252.db2.gz CCEPVDZTKYQZSQ-CYBMUJFWSA-N 1 1 306.362 2.714 20 5 DFBDMO CO[C@]1(C)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000373604970 428618363 /nfs/dbraw/zinc/61/83/63/428618363.db2.gz UMISIQGOZOOZAF-MRXNPFEDSA-N 1 1 308.378 2.865 20 5 DFBDMO CC1CC([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353612127 428619471 /nfs/dbraw/zinc/61/94/71/428619471.db2.gz HSLJQFGOTNZVIO-ABIUDSBCSA-N 1 1 300.362 2.806 20 5 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C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+]1C ZINC000413157259 429151451 /nfs/dbraw/zinc/15/14/51/429151451.db2.gz HHKHJEYPQUEPEX-BDAKNGLRSA-N 1 1 318.299 2.903 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000434976006 429116825 /nfs/dbraw/zinc/11/68/25/429116825.db2.gz ITCIRJAKXRCTPZ-UHFFFAOYSA-N 1 1 304.325 2.837 20 5 DFBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000434982005 429117022 /nfs/dbraw/zinc/11/70/22/429117022.db2.gz JGFTYUFGRWBSDN-HUUCEWRRSA-N 1 1 324.425 2.707 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000376473069 429119010 /nfs/dbraw/zinc/11/90/10/429119010.db2.gz JTZQCKQYOSDORE-UHFFFAOYSA-N 1 1 301.350 2.645 20 5 DFBDMO CN(CC[N@@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000413066458 429131265 /nfs/dbraw/zinc/13/12/65/429131265.db2.gz DACUKQOWICGEBH-UHFFFAOYSA-N 1 1 310.373 2.830 20 5 DFBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000413063193 429131546 /nfs/dbraw/zinc/13/15/46/429131546.db2.gz ACILYEYCNUZNPR-UHFFFAOYSA-N 1 1 304.325 2.673 20 5 DFBDMO COc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000487102737 429134883 /nfs/dbraw/zinc/13/48/83/429134883.db2.gz TYKIXLJCHVHEQY-CQSZACIVSA-N 1 1 311.357 2.519 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000376578594 429140135 /nfs/dbraw/zinc/14/01/35/429140135.db2.gz CCNUIJSQZZHFEX-CHWSQXEVSA-N 1 1 323.418 2.745 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH+]ccn3C2)c2ccncc21 ZINC000364073058 429166470 /nfs/dbraw/zinc/16/64/70/429166470.db2.gz QDSOAHPLVGGLIK-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO CC1=CC[N@@H+](CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487761866 429166731 /nfs/dbraw/zinc/16/67/31/429166731.db2.gz PAOGJZUNHXXZEY-UHFFFAOYSA-N 1 1 312.373 2.629 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCc4[nH+]ccn4C3)n2)cc1 ZINC000372753283 275034846 /nfs/dbraw/zinc/03/48/46/275034846.db2.gz UWLQGZSKGLJGMJ-LLVKDONJSA-N 1 1 311.301 2.571 20 5 DFBDMO Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000364095787 429170114 /nfs/dbraw/zinc/17/01/14/429170114.db2.gz OQHCSRFJBKOBPN-HZPDHXFCSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c(F)c1 ZINC000301378668 275037114 /nfs/dbraw/zinc/03/71/14/275037114.db2.gz XKVQZUDXRGIBKB-WHOFXGATSA-N 1 1 305.353 2.654 20 5 DFBDMO COc1cccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000364283023 429174701 /nfs/dbraw/zinc/17/47/01/429174701.db2.gz QSLTXWONFMGAQW-MELADBBJSA-N 1 1 317.389 2.524 20 5 DFBDMO COc1cccc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488750100 429195601 /nfs/dbraw/zinc/19/56/01/429195601.db2.gz NFBIBFAVIVXROZ-VNHYZAJKSA-N 1 1 319.405 2.770 20 5 DFBDMO Cc1cccc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000364607031 429232144 /nfs/dbraw/zinc/23/21/44/429232144.db2.gz LBBILNKASVQZQR-ZIAGYGMSSA-N 1 1 305.378 2.568 20 5 DFBDMO Cc1cccc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000364607031 429232147 /nfs/dbraw/zinc/23/21/47/429232147.db2.gz LBBILNKASVQZQR-ZIAGYGMSSA-N 1 1 305.378 2.568 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000443524155 429253753 /nfs/dbraw/zinc/25/37/53/429253753.db2.gz SKINPUOKAGHJIU-TUAOUCFPSA-N 1 1 310.423 2.893 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000364868628 429266809 /nfs/dbraw/zinc/26/68/09/429266809.db2.gz GUTKGXYQPYWZIY-ZYHUDNBSSA-N 1 1 310.785 2.706 20 5 DFBDMO CC(C)n1cncc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000425336131 429267423 /nfs/dbraw/zinc/26/74/23/429267423.db2.gz JXQZHWKVBWKQDS-UHFFFAOYSA-N 1 1 314.349 2.538 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425354824 429273391 /nfs/dbraw/zinc/27/33/91/429273391.db2.gz STNWCPDFIWWCDO-OMVNSRBRSA-N 1 1 313.361 2.537 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000365437304 429318467 /nfs/dbraw/zinc/31/84/67/429318467.db2.gz LXMSPKOYASBMPM-STQMWFEESA-N 1 1 323.780 2.605 20 5 DFBDMO COC(=O)[C@]1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000504561102 429336197 /nfs/dbraw/zinc/33/61/97/429336197.db2.gz NTVUWLHPOJWVLS-ITDDMNPJSA-N 1 1 318.373 2.739 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000449406425 429405148 /nfs/dbraw/zinc/40/51/48/429405148.db2.gz AQNHEXMSFUNKQD-XFFZJAGNSA-N 1 1 313.361 2.783 20 5 DFBDMO CC(C)[N@H+]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491465600 429362369 /nfs/dbraw/zinc/36/23/69/429362369.db2.gz RWBBDICSFRCMPU-FPLPWBNLSA-N 1 1 317.389 2.551 20 5 DFBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000491607540 429379100 /nfs/dbraw/zinc/37/91/00/429379100.db2.gz PETGDZCUWFGPSB-LBPRGKRZSA-N 1 1 324.377 2.767 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC3(CCC3)C2)c1 ZINC000366341379 429446882 /nfs/dbraw/zinc/44/68/82/429446882.db2.gz TUINMIMYXZWLGY-HNNXBMFYSA-N 1 1 320.389 2.601 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000449476966 429429373 /nfs/dbraw/zinc/42/93/73/429429373.db2.gz VZKNFGPDKZEHKZ-XKOZXHHJSA-N 1 1 312.316 2.700 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449499162 429434627 /nfs/dbraw/zinc/43/46/27/429434627.db2.gz SXMYHXKULGUBDK-SWLSCSKDSA-N 1 1 308.378 2.850 20 5 DFBDMO Cn1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449499989 429435333 /nfs/dbraw/zinc/43/53/33/429435333.db2.gz MYRZXMFCXPEWGB-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)C1CCSCC1 ZINC000449689082 429481301 /nfs/dbraw/zinc/48/13/01/429481301.db2.gz XQSJYOILSREPRV-HYXAFXHYSA-N 1 1 322.430 2.798 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000519732762 429483071 /nfs/dbraw/zinc/48/30/71/429483071.db2.gz UWRNYGNWFGONRM-GXTWGEPZSA-N 1 1 306.410 2.773 20 5 DFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000449770696 429504980 /nfs/dbraw/zinc/50/49/80/429504980.db2.gz DNSWPULUXGGVCR-CYBMUJFWSA-N 1 1 308.378 2.852 20 5 DFBDMO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000366784141 429515193 /nfs/dbraw/zinc/51/51/93/429515193.db2.gz DDKGMAUVVHKVNC-JKIFEVAISA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000366784141 429515196 /nfs/dbraw/zinc/51/51/96/429515196.db2.gz DDKGMAUVVHKVNC-JKIFEVAISA-N 1 1 320.389 2.753 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000428457729 429524250 /nfs/dbraw/zinc/52/42/50/429524250.db2.gz MZSILEQJTJUKPM-AAEUAGOBSA-N 1 1 306.362 2.986 20 5 DFBDMO C[C@H]1C[C@H]1[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429000942 429568586 /nfs/dbraw/zinc/56/85/86/429568586.db2.gz GIMPQATWAIFBSJ-RVKKMQEKSA-N 1 1 317.433 2.799 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])cc1F ZINC000367071937 429571838 /nfs/dbraw/zinc/57/18/38/429571838.db2.gz DDHLTSCTIMQLNL-INIZCTEOSA-N 1 1 324.352 2.745 20 5 DFBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429030759 429573735 /nfs/dbraw/zinc/57/37/35/429573735.db2.gz SPOVLGZNLIDALD-JKIFEVAISA-N 1 1 303.406 2.757 20 5 DFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429035344 429576027 /nfs/dbraw/zinc/57/60/27/429576027.db2.gz LQESGOSDBQWBIK-IGCXYCKISA-N 1 1 321.396 2.896 20 5 DFBDMO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000450395742 429616006 /nfs/dbraw/zinc/61/60/06/429616006.db2.gz VJZMYOBFGYHHQK-ZDUSSCGKSA-N 1 1 323.356 3.329 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429569608 429619103 /nfs/dbraw/zinc/61/91/03/429619103.db2.gz UAZYXMGPRWNMSL-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429573956 429619361 /nfs/dbraw/zinc/61/93/61/429619361.db2.gz ONTKWMBSBBRWOC-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3=CCCCC3)C2)nc1 ZINC000450565577 429650678 /nfs/dbraw/zinc/65/06/78/429650678.db2.gz JMIJGUZBSOEKFM-AWEZNQCLSA-N 1 1 302.378 2.976 20 5 DFBDMO Cc1[nH+]c(CNc2cc(N)ccc2[N+](=O)[O-])c2n1CCCC2 ZINC000367166535 429590574 /nfs/dbraw/zinc/59/05/74/429590574.db2.gz UGYVSLFNPGARJX-UHFFFAOYSA-N 1 1 301.350 2.630 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450305331 429596568 /nfs/dbraw/zinc/59/65/68/429596568.db2.gz PXCBUUXDFQXDLM-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DFBDMO C[C@H]1C[N@@H+](C)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450329290 429601654 /nfs/dbraw/zinc/60/16/54/429601654.db2.gz QLLGDYHVVWGDBQ-NSHDSACASA-N 1 1 318.402 2.859 20 5 DFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450334532 429603300 /nfs/dbraw/zinc/60/33/00/429603300.db2.gz SRPDEZUGMUEREC-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000430204975 429662667 /nfs/dbraw/zinc/66/26/67/429662667.db2.gz SYEKEBBAHXPVKH-BBRMVZONSA-N 1 1 319.405 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000430219535 429665630 /nfs/dbraw/zinc/66/56/30/429665630.db2.gz OBSZWKMKZIFIKV-WBMJQRKESA-N 1 1 308.378 2.586 20 5 DFBDMO C[N@@H+](CCCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000493021354 429670510 /nfs/dbraw/zinc/67/05/10/429670510.db2.gz MEWLIUMCNRXLBD-DHZHZOJOSA-N 1 1 317.389 2.599 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000290506741 276231268 /nfs/dbraw/zinc/23/12/68/276231268.db2.gz GMPPWKXJBDJKSR-LLVKDONJSA-N 1 1 311.357 2.584 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CC[C@H](C)C1 ZINC000526053228 429697971 /nfs/dbraw/zinc/69/79/71/429697971.db2.gz ZGLIZODSIHXVJA-QTNMRXCUSA-N 1 1 303.406 2.930 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CC[C@H](C)C1 ZINC000526053228 429697976 /nfs/dbraw/zinc/69/79/76/429697976.db2.gz ZGLIZODSIHXVJA-QTNMRXCUSA-N 1 1 303.406 2.930 20 5 DFBDMO Cn1ccnc1[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367704016 429703453 /nfs/dbraw/zinc/70/34/53/429703453.db2.gz OJIGNIJTVRRYCK-CSPWOOARSA-N 1 1 312.373 2.831 20 5 DFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H]3Cc4ccccc43)C2)c1 ZINC000367868150 429733738 /nfs/dbraw/zinc/73/37/38/429733738.db2.gz ANSBBSXXXQTXAR-GJZGRUSLSA-N 1 1 312.373 2.768 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000450959568 429737661 /nfs/dbraw/zinc/73/76/61/429737661.db2.gz YUYAWRABADUEKB-SNVBAGLBSA-N 1 1 321.406 2.518 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCCn2cc[nH+]c21 ZINC000367934350 429747342 /nfs/dbraw/zinc/74/73/42/429747342.db2.gz HNOSLHJIFFQBER-GFCCVEGCSA-N 1 1 314.345 2.983 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000451411329 429824312 /nfs/dbraw/zinc/82/43/12/429824312.db2.gz DWTSHRQLUHOXSS-GVDBMIGSSA-N 1 1 320.389 2.599 20 5 DFBDMO CC1(C)CCC[N@H+]1CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493759947 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DFBDMO COc1ccncc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000286918677 219225772 /nfs/dbraw/zinc/22/57/72/219225772.db2.gz MREKJFIXBQSKBN-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO CC[N@@H+]1CCO[C@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000318906263 398540426 /nfs/dbraw/zinc/54/04/26/398540426.db2.gz QSHFEHUAOBLHGN-LLVKDONJSA-N 1 1 315.320 2.665 20 5 DFBDMO CC[N@H+]1CCO[C@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000318906263 398540429 /nfs/dbraw/zinc/54/04/29/398540429.db2.gz QSHFEHUAOBLHGN-LLVKDONJSA-N 1 1 315.320 2.665 20 5 DFBDMO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[N@H+]4CCCC[C@H]34)c2c1 ZINC000321971825 398555792 /nfs/dbraw/zinc/55/57/92/398555792.db2.gz HSOAUKJIKNKWIQ-LSDHHAIUSA-N 1 1 313.361 2.577 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000589502406 398557213 /nfs/dbraw/zinc/55/72/13/398557213.db2.gz SBFJDXZVMQOMDL-UHFFFAOYSA-N 1 1 304.346 2.757 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000589514792 398558593 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2.863 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279925302 215243366 /nfs/dbraw/zinc/24/33/66/215243366.db2.gz WLAXTQNDCFKTRS-KBPBESRZSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279925302 215243368 /nfs/dbraw/zinc/24/33/68/215243368.db2.gz WLAXTQNDCFKTRS-KBPBESRZSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000279936496 215252063 /nfs/dbraw/zinc/25/20/63/215252063.db2.gz XBJUGICNOSJGKP-UKRRQHHQSA-N 1 1 308.378 2.599 20 5 DFBDMO CO[C@]1(CO)CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597186738 398585181 /nfs/dbraw/zinc/58/51/81/398585181.db2.gz HWPVCBDMDLASPM-QGZVFWFLSA-N 1 1 322.405 2.692 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000092621899 398588334 /nfs/dbraw/zinc/58/83/34/398588334.db2.gz OQAXVCLERJICQO-LLVKDONJSA-N 1 1 311.357 2.886 20 5 DFBDMO C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092623023 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ZINC000172590346 198118631 /nfs/dbraw/zinc/11/86/31/198118631.db2.gz MHJJTDXEIHPFKK-NSHDSACASA-N 1 1 323.418 2.669 20 5 DFBDMO CO[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000590757227 398668041 /nfs/dbraw/zinc/66/80/41/398668041.db2.gz CGEWSQFJOQSJTB-XJKSGUPXSA-N 1 1 308.378 2.721 20 5 DFBDMO COc1nccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000590778864 398672700 /nfs/dbraw/zinc/67/27/00/398672700.db2.gz VOHSTFXTVYKIAC-NSHDSACASA-N 1 1 302.334 2.553 20 5 DFBDMO Cc1c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000172835642 198155675 /nfs/dbraw/zinc/15/56/75/198155675.db2.gz MZPQAGAORVEJAH-AWEZNQCLSA-N 1 1 319.405 2.850 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000172964023 198171187 /nfs/dbraw/zinc/17/11/87/198171187.db2.gz BYNXHVFGRVHHEU-AWEZNQCLSA-N 1 1 319.405 2.898 20 5 DFBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000593727673 398678025 /nfs/dbraw/zinc/67/80/25/398678025.db2.gz PRTZOMWHEIXTSH-ZIAGYGMSSA-N 1 1 319.405 2.512 20 5 DFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072976065 191261718 /nfs/dbraw/zinc/26/17/18/191261718.db2.gz WIVWEWSIFDRFJR-CYBMUJFWSA-N 1 1 308.378 2.852 20 5 DFBDMO CCOC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000072975853 191262178 /nfs/dbraw/zinc/26/21/78/191262178.db2.gz ROIJQRDGKQOFGR-AWEZNQCLSA-N 1 1 308.378 2.722 20 5 DFBDMO Cc1cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000331997187 234368568 /nfs/dbraw/zinc/36/85/68/234368568.db2.gz BJIQZJXTVBCRQP-DZGCQCFKSA-N 1 1 318.377 2.652 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000174641411 198363199 /nfs/dbraw/zinc/36/31/99/198363199.db2.gz VQHBNGTVLDWHDV-UHFFFAOYSA-N 1 1 313.785 2.710 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000597859599 398706422 /nfs/dbraw/zinc/70/64/22/398706422.db2.gz VWEJESXZXUGZCE-ZDUSSCGKSA-N 1 1 305.378 2.506 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 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303.362 2.655 20 5 DFBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597921836 398721018 /nfs/dbraw/zinc/72/10/18/398721018.db2.gz CLAICMVIXLWZEF-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO O=C1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C2(CCC2)C1 ZINC000594011497 398721288 /nfs/dbraw/zinc/72/12/88/398721288.db2.gz YLXRYAQOYHNOTF-UHFFFAOYSA-N 1 1 318.373 2.951 20 5 DFBDMO O=C1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C2(CCC2)C1 ZINC000594011497 398721292 /nfs/dbraw/zinc/72/12/92/398721292.db2.gz YLXRYAQOYHNOTF-UHFFFAOYSA-N 1 1 318.373 2.951 20 5 DFBDMO C[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597921458 398721311 /nfs/dbraw/zinc/72/13/11/398721311.db2.gz FQVHUMAVUKFHAQ-JSGCOSHPSA-N 1 1 319.405 2.687 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000597923112 398721804 /nfs/dbraw/zinc/72/18/04/398721804.db2.gz LKIZLLFFDVRENB-LBPRGKRZSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597925430 398723083 /nfs/dbraw/zinc/72/30/83/398723083.db2.gz PCFYYFDFVQLTRR-LBPRGKRZSA-N 1 1 305.378 2.506 20 5 DFBDMO CCOC(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130386902 283048160 /nfs/dbraw/zinc/04/81/60/283048160.db2.gz PAYTYEZVMBCJGQ-UHFFFAOYSA-N 1 1 306.362 2.903 20 5 DFBDMO CC[N@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000591152845 398733488 /nfs/dbraw/zinc/73/34/88/398733488.db2.gz FEEAYQJDWJFDRE-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO Cc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000047143647 398738005 /nfs/dbraw/zinc/73/80/05/398738005.db2.gz DEXDZBPZEZOKKH-CYBMUJFWSA-N 1 1 305.378 2.507 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282814 398745318 /nfs/dbraw/zinc/74/53/18/398745318.db2.gz SPCBJXVMDVNRPB-YFCVBGDOSA-N 1 1 301.390 2.872 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594195772 398762639 /nfs/dbraw/zinc/76/26/39/398762639.db2.gz JAXQCHPSKOTRQF-ZBFHGGJFSA-N 1 1 317.389 2.650 20 5 DFBDMO CCOc1ccc([C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591578314 398773984 /nfs/dbraw/zinc/77/39/84/398773984.db2.gz QHIWGLBOCDJPRZ-OCCSQVGLSA-N 1 1 307.394 2.786 20 5 DFBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000598342592 398796133 /nfs/dbraw/zinc/79/61/33/398796133.db2.gz LNXJXWKAKCUPAF-LLVKDONJSA-N 1 1 323.418 2.531 20 5 DFBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000598343080 398796151 /nfs/dbraw/zinc/79/61/51/398796151.db2.gz RZHVLCLQEKSEES-CQSZACIVSA-N 1 1 319.405 2.932 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000276899261 213161762 /nfs/dbraw/zinc/16/17/62/213161762.db2.gz LOEMZNZSRIISAS-HIFRSBDPSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000276848427 213131720 /nfs/dbraw/zinc/13/17/20/213131720.db2.gz DDEHDESGAGSBJU-GOEBONIOSA-N 1 1 322.405 2.976 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598466133 398817906 /nfs/dbraw/zinc/81/79/06/398817906.db2.gz KSVWFGDVNGRZCU-UHFFFAOYSA-N 1 1 311.357 2.584 20 5 DFBDMO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592315 398825789 /nfs/dbraw/zinc/82/57/89/398825789.db2.gz PYHQXQDTJXLAHN-UTUOFQBUSA-N 1 1 311.357 2.644 20 5 DFBDMO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592315 398825791 /nfs/dbraw/zinc/82/57/91/398825791.db2.gz PYHQXQDTJXLAHN-UTUOFQBUSA-N 1 1 311.357 2.644 20 5 DFBDMO COc1cccc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594592261 398825838 /nfs/dbraw/zinc/82/58/38/398825838.db2.gz OWCYIYAETDDWPF-RWMBFGLXSA-N 1 1 323.393 2.513 20 5 DFBDMO COc1cccc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594592261 398825841 /nfs/dbraw/zinc/82/58/41/398825841.db2.gz OWCYIYAETDDWPF-RWMBFGLXSA-N 1 1 323.393 2.513 20 5 DFBDMO COC(=O)c1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000594600181 398828646 /nfs/dbraw/zinc/82/86/46/398828646.db2.gz KYLQGGWWUHTBAT-UHFFFAOYSA-N 1 1 304.302 2.573 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCC(C)C ZINC000053365371 398869911 /nfs/dbraw/zinc/86/99/11/398869911.db2.gz PWZCDLACPXCCQD-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000053898863 398884323 /nfs/dbraw/zinc/88/43/23/398884323.db2.gz XKHDWNKUIWPEDX-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000140423796 398890319 /nfs/dbraw/zinc/89/03/19/398890319.db2.gz FFVQIPMMEUKYAE-CQSZACIVSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1C(C)C ZINC000140422843 398890596 /nfs/dbraw/zinc/89/05/96/398890596.db2.gz ZUPAZTVXMQNSIF-ZDUSSCGKSA-N 1 1 305.378 2.962 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000595008297 398891176 /nfs/dbraw/zinc/89/11/76/398891176.db2.gz DCYFRMOOXYJXAN-MJBXVCDLSA-N 1 1 319.405 2.881 20 5 DFBDMO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008199 398891201 /nfs/dbraw/zinc/89/12/01/398891201.db2.gz BUTWJPOBSRHMLF-STQMWFEESA-N 1 1 307.394 2.596 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000595013976 398891836 /nfs/dbraw/zinc/89/18/36/398891836.db2.gz SYIABSNYBXUJDM-CHWSQXEVSA-N 1 1 307.394 2.596 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000595013976 398891839 /nfs/dbraw/zinc/89/18/39/398891839.db2.gz SYIABSNYBXUJDM-CHWSQXEVSA-N 1 1 307.394 2.596 20 5 DFBDMO CCn1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000595018455 398892636 /nfs/dbraw/zinc/89/26/36/398892636.db2.gz AUEJPHMJYUEJTO-LLVKDONJSA-N 1 1 304.350 2.671 20 5 DFBDMO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019507 398893474 /nfs/dbraw/zinc/89/34/74/398893474.db2.gz XCYPVBULHVBBQV-QWHCGFSZSA-N 1 1 307.394 2.738 20 5 DFBDMO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019507 398893477 /nfs/dbraw/zinc/89/34/77/398893477.db2.gz XCYPVBULHVBBQV-QWHCGFSZSA-N 1 1 307.394 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000595030205 398895285 /nfs/dbraw/zinc/89/52/85/398895285.db2.gz YPINTUDLXYIJNA-HEHGZKQESA-N 1 1 321.421 2.983 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@@H]1C ZINC000595030205 398895287 /nfs/dbraw/zinc/89/52/87/398895287.db2.gz YPINTUDLXYIJNA-HEHGZKQESA-N 1 1 321.421 2.983 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)CC(F)(F)F ZINC000595035009 398895823 /nfs/dbraw/zinc/89/58/23/398895823.db2.gz FZHZTCJQGXBPHR-DTWKUNHWSA-N 1 1 322.283 2.567 20 5 DFBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000054449450 398899899 /nfs/dbraw/zinc/89/98/99/398899899.db2.gz LWGWSJCWGRPLOI-BETUJISGSA-N 1 1 307.394 2.895 20 5 DFBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000146254459 398909862 /nfs/dbraw/zinc/90/98/62/398909862.db2.gz PYRJFAPZVWVOIW-VIFPVBQESA-N 1 1 324.768 2.606 20 5 DFBDMO CC[N@H+]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599041739 398911702 /nfs/dbraw/zinc/91/17/02/398911702.db2.gz GTXPPIOCSCBEFA-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)Cc1ccsc1 ZINC000187794397 200157706 /nfs/dbraw/zinc/15/77/06/200157706.db2.gz ITKUMRNJKCJAHY-GFCCVEGCSA-N 1 1 308.407 2.806 20 5 DFBDMO CC[N@@H+]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000599063239 398915541 /nfs/dbraw/zinc/91/55/41/398915541.db2.gz XZNHWNOJYWLXIX-NHYWBVRUSA-N 1 1 300.362 2.895 20 5 DFBDMO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072046 398917275 /nfs/dbraw/zinc/91/72/75/398917275.db2.gz XAVNHBAFGGSLOE-CZUORRHYSA-N 1 1 303.406 2.904 20 5 DFBDMO C[N@H+]1CCCC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072046 398917277 /nfs/dbraw/zinc/91/72/77/398917277.db2.gz XAVNHBAFGGSLOE-CZUORRHYSA-N 1 1 303.406 2.904 20 5 DFBDMO CO[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)[C@H]1CCOC1 ZINC000595296073 398918039 /nfs/dbraw/zinc/91/80/39/398918039.db2.gz XDFBIWPONCOIJF-RDJZCZTQSA-N 1 1 322.405 2.857 20 5 DFBDMO C[C@@](CO)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595309884 398921001 /nfs/dbraw/zinc/92/10/01/398921001.db2.gz APLWJMLMIWYADN-INIZCTEOSA-N 1 1 304.321 2.731 20 5 DFBDMO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595327711 398922914 /nfs/dbraw/zinc/92/29/14/398922914.db2.gz SYAMBDDLQGZTTF-LLVKDONJSA-N 1 1 319.361 2.963 20 5 DFBDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595327711 398922918 /nfs/dbraw/zinc/92/29/18/398922918.db2.gz SYAMBDDLQGZTTF-LLVKDONJSA-N 1 1 319.361 2.963 20 5 DFBDMO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000595326311 398922660 /nfs/dbraw/zinc/92/26/60/398922660.db2.gz BBAODBINDCRIBR-NILFDRSVSA-N 1 1 323.393 2.917 20 5 DFBDMO CO[C@@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCOC1 ZINC000595355078 398926667 /nfs/dbraw/zinc/92/66/67/398926667.db2.gz VOVCPMUVTDWEIS-PBHICJAKSA-N 1 1 320.389 2.611 20 5 DFBDMO Cc1noc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000595357286 398926720 /nfs/dbraw/zinc/92/67/20/398926720.db2.gz ZEZSSHBJYCOONR-SNVBAGLBSA-N 1 1 305.334 2.660 20 5 DFBDMO Cc1noc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000595357286 398926723 /nfs/dbraw/zinc/92/67/23/398926723.db2.gz ZEZSSHBJYCOONR-SNVBAGLBSA-N 1 1 305.334 2.660 20 5 DFBDMO Cc1noc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000595357285 398926809 /nfs/dbraw/zinc/92/68/09/398926809.db2.gz ZEZSSHBJYCOONR-JTQLQIEISA-N 1 1 305.334 2.660 20 5 DFBDMO Cc1noc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000595357285 398926813 /nfs/dbraw/zinc/92/68/13/398926813.db2.gz ZEZSSHBJYCOONR-JTQLQIEISA-N 1 1 305.334 2.660 20 5 DFBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595382455 398929873 /nfs/dbraw/zinc/92/98/73/398929873.db2.gz IQCREGUASNHSKH-STQMWFEESA-N 1 1 311.382 2.917 20 5 DFBDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595382455 398929876 /nfs/dbraw/zinc/92/98/76/398929876.db2.gz IQCREGUASNHSKH-STQMWFEESA-N 1 1 311.382 2.917 20 5 DFBDMO CCn1cnnc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307057 296008609 /nfs/dbraw/zinc/00/86/09/296008609.db2.gz DJEOYHOWGMITRH-OAHLLOKOSA-N 1 1 315.377 2.764 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000595386523 398930810 /nfs/dbraw/zinc/93/08/10/398930810.db2.gz DJXQLCHOPSDOFH-QGZVFWFLSA-N 1 1 316.332 2.658 20 5 DFBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471797346 299305699 /nfs/dbraw/zinc/30/56/99/299305699.db2.gz HZFYHDZHATWBKP-FZMZJTMJSA-N 1 1 302.330 2.810 20 5 DFBDMO CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])c2ccc[nH+]c21 ZINC000595402058 398932720 /nfs/dbraw/zinc/93/27/20/398932720.db2.gz UAIWGQIJHJALCI-UHFFFAOYSA-N 1 1 302.309 2.585 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO[C@@H]2CC2(F)F)C2CC2)cc1 ZINC000595405060 398932855 /nfs/dbraw/zinc/93/28/55/398932855.db2.gz RYWISJAGAHHYLV-CQSZACIVSA-N 1 1 312.316 2.983 20 5 DFBDMO Cc1nc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000417346348 296012153 /nfs/dbraw/zinc/01/21/53/296012153.db2.gz UJHDKVNUUYWVTG-OAHLLOKOSA-N 1 1 315.377 2.621 20 5 DFBDMO Cc1nnc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000417346348 296012155 /nfs/dbraw/zinc/01/21/55/296012155.db2.gz UJHDKVNUUYWVTG-OAHLLOKOSA-N 1 1 315.377 2.621 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153237791 398935332 /nfs/dbraw/zinc/93/53/32/398935332.db2.gz JGUBUDAIEKGEBI-BETUJISGSA-N 1 1 303.362 2.574 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595424406 398935632 /nfs/dbraw/zinc/93/56/32/398935632.db2.gz MGPDXGFENVAMGR-DZGCQCFKSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1O ZINC000595424406 398935633 /nfs/dbraw/zinc/93/56/33/398935633.db2.gz MGPDXGFENVAMGR-DZGCQCFKSA-N 1 1 310.369 2.963 20 5 DFBDMO CO[C@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000595426572 398936136 /nfs/dbraw/zinc/93/61/36/398936136.db2.gz YVRAODUXDZAIDN-MRXNPFEDSA-N 1 1 305.378 2.553 20 5 DFBDMO CO[C@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000595426572 398936138 /nfs/dbraw/zinc/93/61/38/398936138.db2.gz YVRAODUXDZAIDN-MRXNPFEDSA-N 1 1 305.378 2.553 20 5 DFBDMO COc1cccc([C@@H](CO)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595432417 398937364 /nfs/dbraw/zinc/93/73/64/398937364.db2.gz UZLRZUKBUIHWIX-OAHLLOKOSA-N 1 1 320.320 2.566 20 5 DFBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595465763 398944279 /nfs/dbraw/zinc/94/42/79/398944279.db2.gz FUQFIGVMTKUOSP-MJBXVCDLSA-N 1 1 323.393 2.797 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1[N+](=O)[O-] ZINC000595470525 398944955 /nfs/dbraw/zinc/94/49/55/398944955.db2.gz ONNWDGHFNOETBX-SCUASFONSA-N 1 1 323.393 2.653 20 5 DFBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595483215 398947624 /nfs/dbraw/zinc/94/76/24/398947624.db2.gz KHMPDUOPMHJTFH-AWEZNQCLSA-N 1 1 323.368 2.615 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595493606 398949804 /nfs/dbraw/zinc/94/98/04/398949804.db2.gz UNEBYJLTAOWZQF-BOOVAVIHSA-N 1 1 306.337 2.589 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332935 398948764 /nfs/dbraw/zinc/94/87/64/398948764.db2.gz BQRHPUBKPYCJJZ-DGCLKSJQSA-N 1 1 322.365 2.670 20 5 DFBDMO CCN1CCC([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000157496223 398953804 /nfs/dbraw/zinc/95/38/04/398953804.db2.gz AOTIKUKLMGTZAO-UHFFFAOYSA-N 1 1 321.421 2.780 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1ncccc1[N+](=O)[O-] ZINC000192235174 200839818 /nfs/dbraw/zinc/83/98/18/200839818.db2.gz LHCLGRVMNBIVNL-UHFFFAOYSA-N 1 1 303.366 2.665 20 5 DFBDMO COc1cc(C[N@H+](C)CCOC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000613380814 398966152 /nfs/dbraw/zinc/96/61/52/398966152.db2.gz HTRIOQXDLSHVFC-UHFFFAOYSA-N 1 1 314.357 2.989 20 5 DFBDMO COc1cc(C[N@@H+](C)CCOC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000613380814 398966158 /nfs/dbraw/zinc/96/61/58/398966158.db2.gz HTRIOQXDLSHVFC-UHFFFAOYSA-N 1 1 314.357 2.989 20 5 DFBDMO Cc1cnc(N2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000078626396 398974917 /nfs/dbraw/zinc/97/49/17/398974917.db2.gz YIQQXRVOMPRGDZ-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO CCc1noc(C)c1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292930542 223313279 /nfs/dbraw/zinc/31/32/79/223313279.db2.gz IXIIQVBZADSOQR-UHFFFAOYSA-N 1 1 305.334 2.752 20 5 DFBDMO CCOC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000475332953 299346773 /nfs/dbraw/zinc/34/67/73/299346773.db2.gz NENGZZPVDMCACZ-UHFFFAOYSA-N 1 1 308.378 2.801 20 5 DFBDMO CCOC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000475332953 299346774 /nfs/dbraw/zinc/34/67/74/299346774.db2.gz NENGZZPVDMCACZ-UHFFFAOYSA-N 1 1 308.378 2.801 20 5 DFBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600229523 399014011 /nfs/dbraw/zinc/01/40/11/399014011.db2.gz UXLNSOAKQKHIKT-MRXNPFEDSA-N 1 1 317.389 2.732 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275381469 212300754 /nfs/dbraw/zinc/30/07/54/212300754.db2.gz BAMQYMUQSXVXAE-OAHLLOKOSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275381469 212300757 /nfs/dbraw/zinc/30/07/57/212300757.db2.gz BAMQYMUQSXVXAE-OAHLLOKOSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595671379 399027620 /nfs/dbraw/zinc/02/76/20/399027620.db2.gz FEAJWQSVLNHMTI-WMLDXEAASA-N 1 1 322.405 2.847 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632146 399036400 /nfs/dbraw/zinc/03/64/00/399036400.db2.gz UTTRJAMRFXZGCL-DXVXHNSZSA-N 1 1 308.403 2.641 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000595695837 399039371 /nfs/dbraw/zinc/03/93/71/399039371.db2.gz ICAVRHKSNWRXDY-SWLSCSKDSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000595697607 399041384 /nfs/dbraw/zinc/04/13/84/399041384.db2.gz LYTSINIQWXPUQT-OCCSQVGLSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599672393 399054643 /nfs/dbraw/zinc/05/46/43/399054643.db2.gz OFRBIXASBZBLNB-JNSHFYNHSA-N 1 1 308.378 2.585 20 5 DFBDMO C[C@]12CCCC[C@H]1C[N@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599675587 399057315 /nfs/dbraw/zinc/05/73/15/399057315.db2.gz SESOEFBLWFUXOP-LXZKKBNFSA-N 1 1 320.389 2.599 20 5 DFBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000079550620 399057555 /nfs/dbraw/zinc/05/75/55/399057555.db2.gz NUWZPMJFEYDLDJ-UONOGXRCSA-N 1 1 318.377 2.652 20 5 DFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618324076 399082559 /nfs/dbraw/zinc/08/25/59/399082559.db2.gz YWUDTNRNVBCNST-MRXNPFEDSA-N 1 1 319.361 2.863 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808304 399093731 /nfs/dbraw/zinc/09/37/31/399093731.db2.gz CNKALWOAYQVGMJ-STQMWFEESA-N 1 1 303.362 2.574 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595830178 399102473 /nfs/dbraw/zinc/10/24/73/399102473.db2.gz CZCSEPNFIFDGAD-KBPBESRZSA-N 1 1 317.389 2.600 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419338927 296135761 /nfs/dbraw/zinc/13/57/61/296135761.db2.gz CMFXCPWGGREJDP-TUAOUCFPSA-N 1 1 321.377 2.518 20 5 DFBDMO C[C@H]1[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000419353073 296136165 /nfs/dbraw/zinc/13/61/65/296136165.db2.gz KSHFXUROMQMXKX-JHJVBQTASA-N 1 1 305.378 2.900 20 5 DFBDMO COCCCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000419381978 296138712 /nfs/dbraw/zinc/13/87/12/296138712.db2.gz IAGSNGBETXYBLC-UHFFFAOYSA-N 1 1 320.349 2.503 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1=CCSC1 ZINC000595889241 399123684 /nfs/dbraw/zinc/12/36/84/399123684.db2.gz SOHBOLIEDWBLTA-LLVKDONJSA-N 1 1 321.402 2.527 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1=CCSC1 ZINC000595889241 399123689 /nfs/dbraw/zinc/12/36/89/399123689.db2.gz SOHBOLIEDWBLTA-LLVKDONJSA-N 1 1 321.402 2.527 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccs3)C2)nc1 ZINC000093534325 193266151 /nfs/dbraw/zinc/26/61/51/193266151.db2.gz CIMVLKUAENZCFZ-NSHDSACASA-N 1 1 304.375 2.738 20 5 DFBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000060361107 399125017 /nfs/dbraw/zinc/12/50/17/399125017.db2.gz QJTROASUXBEULU-HNNXBMFYSA-N 1 1 319.405 2.579 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267346632 284200413 /nfs/dbraw/zinc/20/04/13/284200413.db2.gz LBEAUKVAQIQMFQ-STQMWFEESA-N 1 1 323.780 2.605 20 5 DFBDMO CN(C(=O)C[N@@H+](C)C[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595908734 399132235 /nfs/dbraw/zinc/13/22/35/399132235.db2.gz KBIMIBAGVKAHFQ-LBPRGKRZSA-N 1 1 305.378 2.536 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595913320 399132953 /nfs/dbraw/zinc/13/29/53/399132953.db2.gz RRXYMDBEBVJBAA-LLVKDONJSA-N 1 1 321.377 2.520 20 5 DFBDMO O=[N+]([O-])c1cnccc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000340923280 284218589 /nfs/dbraw/zinc/21/85/89/284218589.db2.gz MYSYUYYPNRMSST-CQSZACIVSA-N 1 1 304.394 2.621 20 5 DFBDMO C[N@@H+](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCC1 ZINC000600821909 399155320 /nfs/dbraw/zinc/15/53/20/399155320.db2.gz QBOSRLRMJKYWDS-UHFFFAOYSA-N 1 1 317.389 2.570 20 5 DFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC000600839779 399158976 /nfs/dbraw/zinc/15/89/76/399158976.db2.gz NTMZWMJCHHHBDB-UHFFFAOYSA-N 1 1 319.405 2.816 20 5 DFBDMO CCn1nccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000596095343 399170614 /nfs/dbraw/zinc/17/06/14/399170614.db2.gz PDNIBHJMOPGIPM-NSHDSACASA-N 1 1 304.350 2.671 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000342061759 284319026 /nfs/dbraw/zinc/31/90/26/284319026.db2.gz NEKAHOMOXHSCJD-CQSZACIVSA-N 1 1 308.378 2.730 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000063308980 399185548 /nfs/dbraw/zinc/18/55/48/399185548.db2.gz CJYNGUPNIVLDOD-GFCCVEGCSA-N 1 1 305.378 2.964 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000063308980 399185553 /nfs/dbraw/zinc/18/55/53/399185553.db2.gz CJYNGUPNIVLDOD-GFCCVEGCSA-N 1 1 305.378 2.964 20 5 DFBDMO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000600998532 399199150 /nfs/dbraw/zinc/19/91/50/399199150.db2.gz WQRALIZXAGWGNW-NWDGAFQWSA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000063726356 399204195 /nfs/dbraw/zinc/20/41/95/399204195.db2.gz LRUCTBYDYYAPIQ-UHFFFAOYSA-N 1 1 319.405 2.850 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000266511655 205399690 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C[C@@H](O)C[C@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601134700 399237364 /nfs/dbraw/zinc/23/73/64/399237364.db2.gz KCJQVWJHRIOLRP-VXGBXAGGSA-N 1 1 301.346 2.883 20 5 DFBDMO C[C@H](O)[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601132823 399237404 /nfs/dbraw/zinc/23/74/04/399237404.db2.gz OLEQFCWKFUAKDL-RYUDHWBXSA-N 1 1 301.346 2.740 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000267456465 206081896 /nfs/dbraw/zinc/08/18/96/206081896.db2.gz PMJJENGUOUJHBW-MLGOLLRUSA-N 1 1 309.385 2.896 20 5 DFBDMO C[C@@](CO)([NH2+]Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000601150505 399241508 /nfs/dbraw/zinc/24/15/08/399241508.db2.gz YOXUBFMGMMBZNE-INIZCTEOSA-N 1 1 304.321 2.731 20 5 DFBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)C(F)(F)F ZINC000601151068 399241633 /nfs/dbraw/zinc/24/16/33/399241633.db2.gz NLVBEMAIPIOMFF-LHLIQPBNSA-N 1 1 312.675 2.650 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601155147 399243123 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C[C@@H](O)CC[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602471983 399452799 /nfs/dbraw/zinc/45/27/99/399452799.db2.gz DXWZNNQDECQHJK-SSDOTTSWSA-N 1 1 323.212 2.622 20 5 DFBDMO C[C@@H](O)CC[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602471983 399452800 /nfs/dbraw/zinc/45/28/00/399452800.db2.gz DXWZNNQDECQHJK-SSDOTTSWSA-N 1 1 323.212 2.622 20 5 DFBDMO CC[C@H](C)[C@@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602471380 399452860 /nfs/dbraw/zinc/45/28/60/399452860.db2.gz CMJOXGDMYAMLER-KCQAQPDRSA-N 1 1 322.409 2.537 20 5 DFBDMO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000602442947 399445355 /nfs/dbraw/zinc/44/53/55/399445355.db2.gz CXEAXTFWTOUWKG-LBPRGKRZSA-N 1 1 318.377 2.920 20 5 DFBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000602442947 399445358 /nfs/dbraw/zinc/44/53/58/399445358.db2.gz CXEAXTFWTOUWKG-LBPRGKRZSA-N 1 1 318.377 2.920 20 5 DFBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602475304 399455458 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COc1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000611515319 399485807 /nfs/dbraw/zinc/48/58/07/399485807.db2.gz HIBGDQFQHPJKCE-CYBMUJFWSA-N 1 1 316.361 2.706 20 5 DFBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602606311 399488397 /nfs/dbraw/zinc/48/83/97/399488397.db2.gz OWZIJGOQPVBZPX-NXEZZACHSA-N 1 1 318.295 2.816 20 5 DFBDMO Cc1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000611567450 399492916 /nfs/dbraw/zinc/49/29/16/399492916.db2.gz XRTBQUNIZBAZMP-NSHDSACASA-N 1 1 314.345 2.678 20 5 DFBDMO CO[C@@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000602657413 399504988 /nfs/dbraw/zinc/50/49/88/399504988.db2.gz GFQAIXDWQGTHPT-KRWDZBQOSA-N 1 1 322.405 2.511 20 5 DFBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611708972 399508817 /nfs/dbraw/zinc/50/88/17/399508817.db2.gz OUCRJXXCADOLMW-XHDPSFHLSA-N 1 1 315.377 2.679 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@H]1CCO ZINC000347365769 285017017 /nfs/dbraw/zinc/01/70/17/285017017.db2.gz UMTMNHOHQBPVIW-LRFDDAOPSA-N 1 1 322.430 2.798 20 5 DFBDMO COCCO[C@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347386581 285025706 /nfs/dbraw/zinc/02/57/06/285025706.db2.gz YRBDJXDPUGXVNN-SHRNQRGKSA-N 1 1 320.389 2.735 20 5 DFBDMO COc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422936756 296358094 /nfs/dbraw/zinc/35/80/94/296358094.db2.gz BSEBPEVADAHGKN-RBSFLKMASA-N 1 1 319.405 2.614 20 5 DFBDMO C[N@@H+]1CCC[C@H](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602686853 399520600 /nfs/dbraw/zinc/52/06/00/399520600.db2.gz GISMKFCOTHQYJQ-GFCCVEGCSA-N 1 1 318.377 2.558 20 5 DFBDMO C[N@H+]1CCC[C@H](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602686853 399520605 /nfs/dbraw/zinc/52/06/05/399520605.db2.gz GISMKFCOTHQYJQ-GFCCVEGCSA-N 1 1 318.377 2.558 20 5 DFBDMO Cn1cc(C[N@H+]2CCc3ccccc3C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602708619 399532821 /nfs/dbraw/zinc/53/28/21/399532821.db2.gz RGWJESPGZMGIDU-UHFFFAOYSA-N 1 1 314.389 2.664 20 5 DFBDMO C[N@H+]1CCCC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602724444 399541285 /nfs/dbraw/zinc/54/12/85/399541285.db2.gz SXTYGDLMJQKURX-GFCCVEGCSA-N 1 1 318.377 2.558 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(CCF)CC1)OCCO2 ZINC000602735854 399547859 /nfs/dbraw/zinc/54/78/59/399547859.db2.gz ZMMURPSGTNEWBU-UHFFFAOYSA-N 1 1 324.352 2.938 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2Cn2cccn2)cc1 ZINC000364742398 285110601 /nfs/dbraw/zinc/11/06/01/285110601.db2.gz KSVDINKGNCSMTM-QGZVFWFLSA-N 1 1 314.389 2.889 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000193681764 285112050 /nfs/dbraw/zinc/11/20/50/285112050.db2.gz CYSGGTKCQVHTJM-NSHDSACASA-N 1 1 321.333 2.504 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)CC(F)(F)F)C2CC2)cc1 ZINC000189791863 285112218 /nfs/dbraw/zinc/11/22/18/285112218.db2.gz ZFCLCBCHECRDBK-CYBMUJFWSA-N 1 1 318.295 2.873 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158939033 197313518 /nfs/dbraw/zinc/31/35/18/197313518.db2.gz KCOLMTCCXLFQSB-CJNGLKHVSA-N 1 1 319.405 2.520 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000120218160 195122529 /nfs/dbraw/zinc/12/25/29/195122529.db2.gz KXGLWQCVRFYLEG-UHFFFAOYSA-N 1 1 309.757 2.675 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000602779865 399569966 /nfs/dbraw/zinc/56/99/66/399569966.db2.gz SYDCGCJJFZBLCN-MLGOLLRUSA-N 1 1 300.362 2.793 20 5 DFBDMO CCS[C@H]1CCCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602784086 399571419 /nfs/dbraw/zinc/57/14/19/399571419.db2.gz MILIKUSSROEFMW-ZDUSSCGKSA-N 1 1 312.439 2.707 20 5 DFBDMO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000298024666 285166446 /nfs/dbraw/zinc/16/64/46/285166446.db2.gz FAMBIGWPRWWKTR-NVXWUHKLSA-N 1 1 324.384 2.668 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000602789801 399574517 /nfs/dbraw/zinc/57/45/17/399574517.db2.gz ZDUTXGZTJXEASM-QGZVFWFLSA-N 1 1 314.389 2.763 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000602789800 399574875 /nfs/dbraw/zinc/57/48/75/399574875.db2.gz ZDUTXGZTJXEASM-KRWDZBQOSA-N 1 1 314.389 2.763 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000602808649 399583640 /nfs/dbraw/zinc/58/36/40/399583640.db2.gz NIJSDXDOGUXBSP-SWLSCSKDSA-N 1 1 315.377 2.578 20 5 DFBDMO C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000423212636 296393188 /nfs/dbraw/zinc/39/31/88/296393188.db2.gz ISWHSNXHNFMVRT-QEORTHHSSA-N 1 1 303.406 2.950 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000174823058 285189107 /nfs/dbraw/zinc/18/91/07/285189107.db2.gz WKKVYLDZHUPFDX-UHFFFAOYSA-N 1 1 304.350 2.829 20 5 DFBDMO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602828359 399591929 /nfs/dbraw/zinc/59/19/29/399591929.db2.gz GLQNBESBVQZKLH-OAHLLOKOSA-N 1 1 318.377 2.920 20 5 DFBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602828359 399591931 /nfs/dbraw/zinc/59/19/31/399591931.db2.gz GLQNBESBVQZKLH-OAHLLOKOSA-N 1 1 318.377 2.920 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000602838255 399596027 /nfs/dbraw/zinc/59/60/27/399596027.db2.gz CRZNJOQNGOLMAF-LBPRGKRZSA-N 1 1 320.368 2.802 20 5 DFBDMO CCN(C#N)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602840809 399597865 /nfs/dbraw/zinc/59/78/65/399597865.db2.gz LVYWWMIZYMDCDF-OAHLLOKOSA-N 1 1 302.378 2.577 20 5 DFBDMO [NH3+]CC(F)(F)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423342506 296406671 /nfs/dbraw/zinc/40/66/71/296406671.db2.gz LBPKDQLZPGHLRJ-OAHLLOKOSA-N 1 1 321.327 2.868 20 5 DFBDMO C[N@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000602872958 399611590 /nfs/dbraw/zinc/61/15/90/399611590.db2.gz FEKGIHGMADIWCB-MRXNPFEDSA-N 1 1 321.421 2.636 20 5 DFBDMO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccns1 ZINC000602882865 399614467 /nfs/dbraw/zinc/61/44/67/399614467.db2.gz MPQZCFLGJYAIPI-UHFFFAOYSA-N 1 1 307.375 2.952 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccns1 ZINC000602882865 399614471 /nfs/dbraw/zinc/61/44/71/399614471.db2.gz MPQZCFLGJYAIPI-UHFFFAOYSA-N 1 1 307.375 2.952 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602888152 399616028 /nfs/dbraw/zinc/61/60/28/399616028.db2.gz LHVNSDCLPILJSD-HIFRSBDPSA-N 1 1 315.377 2.975 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602887231 399616201 /nfs/dbraw/zinc/61/62/01/399616201.db2.gz NMKDTJBXJOVZPC-INIZCTEOSA-N 1 1 316.361 2.924 20 5 DFBDMO COCCCOCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271613541 209060092 /nfs/dbraw/zinc/06/00/92/209060092.db2.gz VRVCROSZIZIIGP-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO COCCCOCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271613541 209060097 /nfs/dbraw/zinc/06/00/97/209060097.db2.gz VRVCROSZIZIIGP-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO Cc1cnn([C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000289716568 221175600 /nfs/dbraw/zinc/17/56/00/221175600.db2.gz CPNJZYNDNSDQDX-INIZCTEOSA-N 1 1 300.362 2.589 20 5 DFBDMO Cc1cc(Cl)c(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000294860398 224269779 /nfs/dbraw/zinc/26/97/79/224269779.db2.gz CZQXFMQORMVAGM-UHFFFAOYSA-N 1 1 323.780 2.548 20 5 DFBDMO COC(=O)[C@@]1(C)C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602931564 399632068 /nfs/dbraw/zinc/63/20/68/399632068.db2.gz OGKKYYYVNOPDRR-MKBNYLNASA-N 1 1 306.362 2.787 20 5 DFBDMO C[C@@H]1C[C@H](CC(F)(F)F)[C@@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000602967477 399642258 /nfs/dbraw/zinc/64/22/58/399642258.db2.gz JFNZICLKYJQKDS-GMTAPVOTSA-N 1 1 320.315 2.843 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997829 399654430 /nfs/dbraw/zinc/65/44/30/399654430.db2.gz RUCXVDUJTFWTCV-YCPHGPKFSA-N 1 1 320.389 2.599 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997828 399654435 /nfs/dbraw/zinc/65/44/35/399654435.db2.gz RUCXVDUJTFWTCV-LZWOXQAQSA-N 1 1 320.389 2.599 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c(F)c1 ZINC000602997225 399655145 /nfs/dbraw/zinc/65/51/45/399655145.db2.gz GAKQOQXXQOGANT-BPUTZDHNSA-N 1 1 308.353 2.859 20 5 DFBDMO C[C@H](C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000603054405 399667416 /nfs/dbraw/zinc/66/74/16/399667416.db2.gz JLCIMKCENSFSHA-LLVKDONJSA-N 1 1 307.394 2.808 20 5 DFBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294974568 224351036 /nfs/dbraw/zinc/35/10/36/224351036.db2.gz XQAJIIUDSAUHRA-UHFFFAOYSA-N 1 1 322.752 2.573 20 5 DFBDMO Cn1cc[nH+]c1C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000612785868 399723246 /nfs/dbraw/zinc/72/32/46/399723246.db2.gz USFRRHNYIIHSKD-CQSZACIVSA-N 1 1 324.344 2.514 20 5 DFBDMO COc1ccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000295013610 533566489 /nfs/dbraw/zinc/56/64/89/533566489.db2.gz MKFPQIUTABQUSP-OAHLLOKOSA-N 1 1 308.378 2.850 20 5 DFBDMO CC1(C)[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000603400433 399765552 /nfs/dbraw/zinc/76/55/52/399765552.db2.gz XDHRAFAYPPJQEU-GJZGRUSLSA-N 1 1 323.368 2.645 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617742721 399785769 /nfs/dbraw/zinc/78/57/69/399785769.db2.gz VMSCNTBIVARQMX-CYBMUJFWSA-N 1 1 307.394 2.546 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000366643034 131249012 /nfs/dbraw/zinc/24/90/12/131249012.db2.gz PWZLQOLYZXLISY-ZIAGYGMSSA-N 1 1 319.386 2.922 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000366643034 131249013 /nfs/dbraw/zinc/24/90/13/131249013.db2.gz PWZLQOLYZXLISY-ZIAGYGMSSA-N 1 1 319.386 2.922 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1OC ZINC000366645162 131261344 /nfs/dbraw/zinc/26/13/44/131261344.db2.gz RRIRMUIKKAEPJN-ZBFHGGJFSA-N 1 1 319.405 2.662 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)nc2c1 ZINC000366654767 131305370 /nfs/dbraw/zinc/30/53/70/131305370.db2.gz MHZIXVPHQVOWLZ-NWDGAFQWSA-N 1 1 317.345 2.594 20 5 DFBDMO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293770883 543021319 /nfs/dbraw/zinc/02/13/19/543021319.db2.gz PNUYANNFSGJDTE-CHWSQXEVSA-N 1 1 306.410 2.560 20 5 DFBDMO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293770883 543021323 /nfs/dbraw/zinc/02/13/23/543021323.db2.gz PNUYANNFSGJDTE-CHWSQXEVSA-N 1 1 306.410 2.560 20 5 DFBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000302825102 543047563 /nfs/dbraw/zinc/04/75/63/543047563.db2.gz YEOZPJSMLVLGDQ-ZDUSSCGKSA-N 1 1 304.325 2.908 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245492757 146077978 /nfs/dbraw/zinc/07/79/78/146077978.db2.gz KBRZQQYNCZNHQP-WFASDCNBSA-N 1 1 320.393 2.789 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)nc1 ZINC000245706121 146096101 /nfs/dbraw/zinc/09/61/01/146096101.db2.gz FBZBIPSEDVBWSV-KGLIPLIRSA-N 1 1 302.378 2.832 20 5 DFBDMO C[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000246036779 146115943 /nfs/dbraw/zinc/11/59/43/146115943.db2.gz PZZGYHZADNCUNS-CJNGLKHVSA-N 1 1 317.389 2.822 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000246062777 146117908 /nfs/dbraw/zinc/11/79/08/146117908.db2.gz YMYHFNNCTHKCHK-UPJWGTAASA-N 1 1 305.378 2.900 20 5 DFBDMO CCCO[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246225882 146132163 /nfs/dbraw/zinc/13/21/63/146132163.db2.gz FHGZHMLKIQEPNS-DLBZAZTESA-N 1 1 322.405 2.909 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000246743132 146154534 /nfs/dbraw/zinc/15/45/34/146154534.db2.gz WWLCBSZLRQXBJK-INIZCTEOSA-N 1 1 319.405 2.662 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000247782540 146170391 /nfs/dbraw/zinc/17/03/91/146170391.db2.gz TYNWFFYSNKFGLN-QWRGUYRKSA-N 1 1 323.780 2.557 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000255436753 146232467 /nfs/dbraw/zinc/23/24/67/146232467.db2.gz NZECJVNEEHBFSK-GMNBZTITSA-N 1 1 301.390 2.778 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000262042773 146325831 /nfs/dbraw/zinc/32/58/31/146325831.db2.gz BZOIFRNUCGWIMI-GVDBMIGSSA-N 1 1 303.406 2.995 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000354371286 147010469 /nfs/dbraw/zinc/01/04/69/147010469.db2.gz GSMAMUHADMWWLU-CQSZACIVSA-N 1 1 319.405 2.898 20 5 DFBDMO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355330484 147267660 /nfs/dbraw/zinc/26/76/60/147267660.db2.gz DFARIHDTRWKRCK-HNNXBMFYSA-N 1 1 314.389 2.844 20 5 DFBDMO Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000355433175 147314651 /nfs/dbraw/zinc/31/46/51/147314651.db2.gz MAKXNSFJDAWETP-UHFFFAOYSA-N 1 1 310.313 2.732 20 5 DFBDMO CC[N@@H+](CCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1)C(C)C ZINC000357233283 147914346 /nfs/dbraw/zinc/91/43/46/147914346.db2.gz KVYOSUSBMSZPAE-UHFFFAOYSA-N 1 1 323.393 2.832 20 5 DFBDMO 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2.783 20 5 DFBDMO CC[N@H+]1CCC[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000179551136 426800021 /nfs/dbraw/zinc/80/00/21/426800021.db2.gz BQKKZHWMRIQKIU-AWEZNQCLSA-N 1 1 319.405 2.734 20 5 DFBDMO CC(C)[N@H+](C)C[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000290607865 426803162 /nfs/dbraw/zinc/80/31/62/426803162.db2.gz FLKNAVGWRFMPRZ-SECBINFHSA-N 1 1 309.395 2.740 20 5 DFBDMO C[NH+](C)CCC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000266996488 426808003 /nfs/dbraw/zinc/80/80/03/426808003.db2.gz BFVMEGMGJMKBHG-UHFFFAOYSA-N 1 1 309.385 2.898 20 5 DFBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccccc1 ZINC000267088619 426821114 /nfs/dbraw/zinc/82/11/14/426821114.db2.gz PJAKYTJHCXXCSW-CQSZACIVSA-N 1 1 318.377 2.501 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+](CCc2ccc(F)cc2)C2CC2)n1 ZINC000267077690 426821141 /nfs/dbraw/zinc/82/11/41/426821141.db2.gz MDHDAWNNPQKNGB-UHFFFAOYSA-N 1 1 318.352 2.638 20 5 DFBDMO Cc1cc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000274774738 426833013 /nfs/dbraw/zinc/83/30/13/426833013.db2.gz DJYWBJNCUAAVEL-GFCCVEGCSA-N 1 1 318.377 2.675 20 5 DFBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000267252733 426855074 /nfs/dbraw/zinc/85/50/74/426855074.db2.gz USZQJKULXUDZPE-ZDUSSCGKSA-N 1 1 304.325 2.908 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266886556 426790795 /nfs/dbraw/zinc/79/07/95/426790795.db2.gz CIQNOLHDADQRKP-UHFFFAOYSA-N 1 1 318.377 2.538 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000295225251 426868837 /nfs/dbraw/zinc/86/88/37/426868837.db2.gz WEXOHMDDGKWJFC-GFCCVEGCSA-N 1 1 310.394 2.973 20 5 DFBDMO COC(=O)[C@]1(C)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282277947 426870223 /nfs/dbraw/zinc/87/02/23/426870223.db2.gz DSJUTGSGUNDKRA-BFQNTYOBSA-N 1 1 306.362 2.787 20 5 DFBDMO Cc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246898843 426877128 /nfs/dbraw/zinc/87/71/28/426877128.db2.gz YDBKLXCQPRLRKS-WCQYABFASA-N 1 1 320.393 2.850 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)Cc1ccccc1 ZINC000295271546 426887290 /nfs/dbraw/zinc/88/72/90/426887290.db2.gz HSKLHNLOBZQGPZ-GOSISDBHSA-N 1 1 314.385 2.673 20 5 DFBDMO CCc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247030407 426895511 /nfs/dbraw/zinc/89/55/11/426895511.db2.gz HSEGGJICVOSJAC-IUODEOHRSA-N 1 1 319.405 2.616 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOCC(F)F)C2CC2)c1 ZINC000189577703 426896258 /nfs/dbraw/zinc/89/62/58/426896258.db2.gz UTUVJYRLQNOMKD-UHFFFAOYSA-N 1 1 300.305 2.841 20 5 DFBDMO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282415195 426906288 /nfs/dbraw/zinc/90/62/88/426906288.db2.gz IVXCKOMCAJPJLS-KBPBESRZSA-N 1 1 321.421 2.762 20 5 DFBDMO CC(=O)c1ccc(NC[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000275741060 426908216 /nfs/dbraw/zinc/90/82/16/426908216.db2.gz VKRCDNYPODVQIH-LBPRGKRZSA-N 1 1 314.345 2.668 20 5 DFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291710452 426960468 /nfs/dbraw/zinc/96/04/68/426960468.db2.gz IOATYYJWVPQNHU-CYBMUJFWSA-N 1 1 309.322 2.502 20 5 DFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291710452 426960476 /nfs/dbraw/zinc/96/04/76/426960476.db2.gz IOATYYJWVPQNHU-CYBMUJFWSA-N 1 1 309.322 2.502 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000181734765 426977600 /nfs/dbraw/zinc/97/76/00/426977600.db2.gz LIRJVLAPYZZZIL-HUUCEWRRSA-N 1 1 320.389 2.599 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H]1C ZINC000248326265 426991177 /nfs/dbraw/zinc/99/11/77/426991177.db2.gz BTRAYRCSMWLPJK-SRVKXCTJSA-N 1 1 321.377 2.661 20 5 DFBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000275839655 426930331 /nfs/dbraw/zinc/93/03/31/426930331.db2.gz ZHOIWLJRMAKKFT-UHFFFAOYSA-N 1 1 317.349 2.620 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C3CC3)CC2)c(Cl)c1 ZINC000182099723 427013694 /nfs/dbraw/zinc/01/36/94/427013694.db2.gz VDBNIYOVETYDPK-UHFFFAOYSA-N 1 1 309.797 2.918 20 5 DFBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)C ZINC000276255105 427017814 /nfs/dbraw/zinc/01/78/14/427017814.db2.gz AEHVOYBYUGASKM-UHFFFAOYSA-N 1 1 312.341 2.755 20 5 DFBDMO CCC[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248636427 427025380 /nfs/dbraw/zinc/02/53/80/427025380.db2.gz YCJAXMPGJVVEKF-LSDHHAIUSA-N 1 1 322.405 2.989 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248895404 427062406 /nfs/dbraw/zinc/06/24/06/427062406.db2.gz LGAJRMBGMIAAJY-KSLFURFDSA-N 1 1 318.373 2.739 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295991581 427038819 /nfs/dbraw/zinc/03/88/19/427038819.db2.gz LZTNDMMSLVBZGE-YHWZYXNKSA-N 1 1 303.362 2.835 20 5 DFBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(F)(F)F ZINC000190205019 427046998 /nfs/dbraw/zinc/04/69/98/427046998.db2.gz DVFNZJXVXYSBEJ-JTQLQIEISA-N 1 1 320.315 2.702 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182354925 427062749 /nfs/dbraw/zinc/06/27/49/427062749.db2.gz MHTFCDMWNMWUAG-NSHDSACASA-N 1 1 312.753 2.776 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182354925 427062754 /nfs/dbraw/zinc/06/27/54/427062754.db2.gz MHTFCDMWNMWUAG-NSHDSACASA-N 1 1 312.753 2.776 20 5 DFBDMO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000337945919 427054491 /nfs/dbraw/zinc/05/44/91/427054491.db2.gz UHIARACMYVWFQG-CQSZACIVSA-N 1 1 304.325 2.635 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000276424587 427064456 /nfs/dbraw/zinc/06/44/56/427064456.db2.gz OJARMKHLZSBPLR-UHFFFAOYSA-N 1 1 320.393 2.770 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249004840 427075141 /nfs/dbraw/zinc/07/51/41/427075141.db2.gz SHMHMWYVNQSVIO-IUODEOHRSA-N 1 1 320.393 2.753 20 5 DFBDMO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000268651928 427080325 /nfs/dbraw/zinc/08/03/25/427080325.db2.gz VBQCUVSTFAWEKL-RYUDHWBXSA-N 1 1 324.402 2.636 20 5 DFBDMO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000268651928 427080331 /nfs/dbraw/zinc/08/03/31/427080331.db2.gz VBQCUVSTFAWEKL-RYUDHWBXSA-N 1 1 324.402 2.636 20 5 DFBDMO CN(c1nc2ccccc2cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000276540831 427095397 /nfs/dbraw/zinc/09/53/97/427095397.db2.gz DFABCHOZJCVEJB-ZDUSSCGKSA-N 1 1 300.362 2.673 20 5 DFBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000249259269 427102640 /nfs/dbraw/zinc/10/26/40/427102640.db2.gz GRLQAWZVRYABQD-WCQYABFASA-N 1 1 304.375 2.909 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCSC[C@H](C)C1 ZINC000190453944 427112288 /nfs/dbraw/zinc/11/22/88/427112288.db2.gz DMPJSAGFNUGZHP-NEPJUHHUSA-N 1 1 323.418 2.607 20 5 DFBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940857 427138204 /nfs/dbraw/zinc/13/82/04/427138204.db2.gz AGSKZFSZIPVWLW-XJKSGUPXSA-N 1 1 307.369 2.650 20 5 DFBDMO C[C@H](NC[C@@]1([NH+](C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269000953 427145430 /nfs/dbraw/zinc/14/54/30/427145430.db2.gz UWQPCEFBJQFBBE-WFASDCNBSA-N 1 1 309.435 2.683 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)C1 ZINC000292251950 427148468 /nfs/dbraw/zinc/14/84/68/427148468.db2.gz KGXSGPUPZRMSGI-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO CC[C@@H]([NH2+]CCCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000268825078 427130690 /nfs/dbraw/zinc/13/06/90/427130690.db2.gz PDWMPYKSMQFXTC-MRXNPFEDSA-N 1 1 309.410 2.604 20 5 DFBDMO CC[C@@H](NCCC[N@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000268825078 427130694 /nfs/dbraw/zinc/13/06/94/427130694.db2.gz PDWMPYKSMQFXTC-MRXNPFEDSA-N 1 1 309.410 2.604 20 5 DFBDMO CC[C@@H](NCCC[N@@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000268825078 427130697 /nfs/dbraw/zinc/13/06/97/427130697.db2.gz PDWMPYKSMQFXTC-MRXNPFEDSA-N 1 1 309.410 2.604 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000162486756 271084295 /nfs/dbraw/zinc/08/42/95/271084295.db2.gz LRGFZXUQECANOO-HNNXBMFYSA-N 1 1 320.393 2.707 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000266102620 271284070 /nfs/dbraw/zinc/28/40/70/271284070.db2.gz GEGYJKYWDLMIPP-AWEZNQCLSA-N 1 1 305.378 2.541 20 5 DFBDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270481749 271296884 /nfs/dbraw/zinc/29/68/84/271296884.db2.gz FXLGPDDCBJIEJN-DZGCQCFKSA-N 1 1 307.394 2.657 20 5 DFBDMO C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000252113107 427173286 /nfs/dbraw/zinc/17/32/86/427173286.db2.gz IBCFYDRSKWGYHM-WDEREUQCSA-N 1 1 323.422 2.836 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(CN2CC[N@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000284298692 427179202 /nfs/dbraw/zinc/17/92/02/427179202.db2.gz UVIPVUOOKWEOJY-LLVKDONJSA-N 1 1 311.332 2.543 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000296483335 427194576 /nfs/dbraw/zinc/19/45/76/427194576.db2.gz KPXIOFFEIIGUEV-LLVKDONJSA-N 1 1 309.366 2.508 20 5 DFBDMO Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000269441982 427197885 /nfs/dbraw/zinc/19/78/85/427197885.db2.gz SUCCPFOOAGGUTE-XJKSGUPXSA-N 1 1 316.405 2.751 20 5 DFBDMO C[C@H]1C[N@@H+](CCCNc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000277454023 427208844 /nfs/dbraw/zinc/20/88/44/427208844.db2.gz KCOJRLSTMYVJAU-LBPRGKRZSA-N 1 1 311.357 2.647 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285380793 427213118 /nfs/dbraw/zinc/21/31/18/427213118.db2.gz NFSOQPCLXNDXSL-INIZCTEOSA-N 1 1 316.361 2.924 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285380793 427213124 /nfs/dbraw/zinc/21/31/24/427213124.db2.gz NFSOQPCLXNDXSL-INIZCTEOSA-N 1 1 316.361 2.924 20 5 DFBDMO COC(=O)c1ccoc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285395616 427220651 /nfs/dbraw/zinc/22/06/51/427220651.db2.gz STJTXVGHKVRHHU-UHFFFAOYSA-N 1 1 318.329 2.649 20 5 DFBDMO COC(=O)c1ccoc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285395616 427220657 /nfs/dbraw/zinc/22/06/57/427220657.db2.gz STJTXVGHKVRHHU-UHFFFAOYSA-N 1 1 318.329 2.649 20 5 DFBDMO Cc1nn(C)c(C)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285466079 427238731 /nfs/dbraw/zinc/23/87/31/427238731.db2.gz ZSKVXTOKYNJJRP-UHFFFAOYSA-N 1 1 302.378 2.620 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000183284676 427240595 /nfs/dbraw/zinc/24/05/95/427240595.db2.gz JBAZZNUDJBHZGY-AWEZNQCLSA-N 1 1 316.361 2.974 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3sccc3C2)c1 ZINC000269687515 427252893 /nfs/dbraw/zinc/25/28/93/427252893.db2.gz TZPWXGCLMRRPOJ-CQSZACIVSA-N 1 1 304.371 2.748 20 5 DFBDMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000270279562 427320786 /nfs/dbraw/zinc/32/07/86/427320786.db2.gz VDUFXMGBTSGBQQ-PHIMTYICSA-N 1 1 317.345 2.506 20 5 DFBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000270279562 427320789 /nfs/dbraw/zinc/32/07/89/427320789.db2.gz VDUFXMGBTSGBQQ-PHIMTYICSA-N 1 1 317.345 2.506 20 5 DFBDMO CC1([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183824713 427348815 /nfs/dbraw/zinc/34/88/15/427348815.db2.gz FVRJXPHIZWMQER-AWEZNQCLSA-N 1 1 306.362 2.570 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000330670962 427288062 /nfs/dbraw/zinc/28/80/62/427288062.db2.gz DUYPCQQLILWUIX-CQSZACIVSA-N 1 1 305.378 2.507 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000293357042 427297905 /nfs/dbraw/zinc/29/79/05/427297905.db2.gz ZPIZMFPOKLXLAF-GFCCVEGCSA-N 1 1 318.295 2.960 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000293357042 427297911 /nfs/dbraw/zinc/29/79/11/427297911.db2.gz ZPIZMFPOKLXLAF-GFCCVEGCSA-N 1 1 318.295 2.960 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000271004658 427369883 /nfs/dbraw/zinc/36/98/83/427369883.db2.gz KWGFWYKVXVBNER-IAGOWNOFSA-N 1 1 313.357 2.860 20 5 DFBDMO CC[N@H+](CCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271022395 427376734 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COc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000271079678 427398523 /nfs/dbraw/zinc/39/85/23/427398523.db2.gz IKHGFCWXRAOQAO-NSHDSACASA-N 1 1 311.357 2.521 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293732844 427416828 /nfs/dbraw/zinc/41/68/28/427416828.db2.gz UYDBJPMZLVHYPS-INIZCTEOSA-N 1 1 302.374 2.986 20 5 DFBDMO C[C@@H](C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183971218 427366313 /nfs/dbraw/zinc/36/63/13/427366313.db2.gz GBEBAJMKURNBRV-FZMZJTMJSA-N 1 1 321.402 2.820 20 5 DFBDMO CC[N@H+](CCCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271200394 427447869 /nfs/dbraw/zinc/44/78/69/427447869.db2.gz PNWQGHOJZJDNNF-UHFFFAOYSA-N 1 1 321.402 2.923 20 5 DFBDMO CC[N@@H+](CCCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271200394 427447878 /nfs/dbraw/zinc/44/78/78/427447878.db2.gz PNWQGHOJZJDNNF-UHFFFAOYSA-N 1 1 321.402 2.923 20 5 DFBDMO C[C@H](NCC[NH+]1CCC(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293866940 427471068 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20 5 DFBDMO Nc1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000286323728 427492338 /nfs/dbraw/zinc/49/23/38/427492338.db2.gz UXGRWRBPLWWYAF-WFASDCNBSA-N 1 1 316.405 2.630 20 5 DFBDMO C[N@H+](CCc1cnccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271332372 427497721 /nfs/dbraw/zinc/49/77/21/427497721.db2.gz LXZPRTVWBKBGMU-UHFFFAOYSA-N 1 1 306.753 2.713 20 5 DFBDMO C[N@@H+](CCc1cnccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271332372 427497727 /nfs/dbraw/zinc/49/77/27/427497727.db2.gz LXZPRTVWBKBGMU-UHFFFAOYSA-N 1 1 306.753 2.713 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N(C)CCC[N@@H+](C)Cc2ccco2)n1 ZINC000286358525 427503417 /nfs/dbraw/zinc/50/34/17/427503417.db2.gz KTTXCGGGKFFGRN-UHFFFAOYSA-N 1 1 318.377 2.850 20 5 DFBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271349367 427505552 /nfs/dbraw/zinc/50/55/52/427505552.db2.gz SMOCFFPHFVHEQD-VIFPVBQESA-N 1 1 301.293 2.560 20 5 DFBDMO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000294034709 427529258 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DFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccn(C(F)F)n1 ZINC000338958919 427592904 /nfs/dbraw/zinc/59/29/04/427592904.db2.gz WAFGAJCCCSKYFZ-UHFFFAOYSA-N 1 1 310.304 2.861 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccn(C(F)F)n1 ZINC000338958919 427592913 /nfs/dbraw/zinc/59/29/13/427592913.db2.gz WAFGAJCCCSKYFZ-UHFFFAOYSA-N 1 1 310.304 2.861 20 5 DFBDMO CC(=O)c1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000287420718 427603937 /nfs/dbraw/zinc/60/39/37/427603937.db2.gz UCLOCQMZVAMTHW-ZDUSSCGKSA-N 1 1 305.378 2.575 20 5 DFBDMO COC(=O)[C@@]12C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000342156914 271956090 /nfs/dbraw/zinc/95/60/90/271956090.db2.gz PVKIVDGHCCVTCH-WFASDCNBSA-N 1 1 324.402 2.822 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C[C@H]1C ZINC000342483229 272017427 /nfs/dbraw/zinc/01/74/27/272017427.db2.gz YSAAKZWBDWJURE-VXGBXAGGSA-N 1 1 305.378 2.716 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272082009 427625252 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O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000339098327 427675500 /nfs/dbraw/zinc/67/55/00/427675500.db2.gz BEQMTEFBFOJAHK-NSHDSACASA-N 1 1 318.295 2.960 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000339098327 427675518 /nfs/dbraw/zinc/67/55/18/427675518.db2.gz BEQMTEFBFOJAHK-NSHDSACASA-N 1 1 318.295 2.960 20 5 DFBDMO CC[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000343914221 272236373 /nfs/dbraw/zinc/23/63/73/272236373.db2.gz VBTABUXIFUISII-GOEBONIOSA-N 1 1 322.405 2.847 20 5 DFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000185616475 427681210 /nfs/dbraw/zinc/68/12/10/427681210.db2.gz JPHJTURZQUMBFP-BXUZGUMPSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344061178 272254131 /nfs/dbraw/zinc/25/41/31/272254131.db2.gz MGZITXGBXVBVLY-CQSZACIVSA-N 1 1 317.389 2.964 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344061178 272254133 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DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344629847 272349635 /nfs/dbraw/zinc/34/96/35/272349635.db2.gz BJRCYEHZVOSZDC-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344923928 272384937 /nfs/dbraw/zinc/38/49/37/272384937.db2.gz XNRBMYYQWGBOKO-WCQYABFASA-N 1 1 306.366 2.507 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279642026 427716105 /nfs/dbraw/zinc/71/61/05/427716105.db2.gz AVFLQEPPWLHWMX-WBOJAVRRSA-N 1 1 320.389 2.924 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279642026 427716113 /nfs/dbraw/zinc/71/61/13/427716113.db2.gz AVFLQEPPWLHWMX-WBOJAVRRSA-N 1 1 320.389 2.924 20 5 DFBDMO CC[N@@H+](C)CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301107744 427776296 /nfs/dbraw/zinc/77/62/96/427776296.db2.gz LZUABPXEYQWXIB-UHFFFAOYSA-N 1 1 315.377 2.724 20 5 DFBDMO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000301224172 427782158 /nfs/dbraw/zinc/78/21/58/427782158.db2.gz ARBGUSGVWDQMIU-CYBMUJFWSA-N 1 1 300.362 2.922 20 5 DFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301333857 427789763 /nfs/dbraw/zinc/78/97/63/427789763.db2.gz FNQAIIZRYUNBNY-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(C)c([N+](=O)[O-])cn2)cn1 ZINC000301427146 427795954 /nfs/dbraw/zinc/79/59/54/427795954.db2.gz HXGRBZSTIDGWDQ-UHFFFAOYSA-N 1 1 324.344 2.799 20 5 DFBDMO Cc1cnc(NCC[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000301573986 427806513 /nfs/dbraw/zinc/80/65/13/427806513.db2.gz XYGAAVGECJQUDI-UHFFFAOYSA-N 1 1 318.352 2.981 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000301580288 427807213 /nfs/dbraw/zinc/80/72/13/427807213.db2.gz SQCPNJFSSAHRMM-KKUMJFAQSA-N 1 1 301.390 2.824 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000301598270 427808167 /nfs/dbraw/zinc/80/81/67/427808167.db2.gz HGFOEHINYWNUHE-QMTHXVAHSA-N 1 1 311.357 2.883 20 5 DFBDMO CC(C)(C)n1ncnc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000337250221 427823768 /nfs/dbraw/zinc/82/37/68/427823768.db2.gz JVVHCVVVMWUIFM-VURMDHGXSA-N 1 1 315.377 2.744 20 5 DFBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340405866 427840864 /nfs/dbraw/zinc/84/08/64/427840864.db2.gz WDXDBYMCJFZKNK-KGLIPLIRSA-N 1 1 308.378 2.863 20 5 DFBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000355730865 427866056 /nfs/dbraw/zinc/86/60/56/427866056.db2.gz HKFLOLANDTVBLR-QPSCCSFWSA-N 1 1 322.405 2.701 20 5 DFBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCC[NH+]1CCOCC1 ZINC000302810476 427874762 /nfs/dbraw/zinc/87/47/62/427874762.db2.gz GWFLHPDOCBGNEP-UHFFFAOYSA-N 1 1 313.785 2.691 20 5 DFBDMO C[C@@H]1C[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000345769769 427896020 /nfs/dbraw/zinc/89/60/20/427896020.db2.gz CXXGOKBMHXQDKG-OLZOCXBDSA-N 1 1 319.405 2.676 20 5 DFBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000346628859 272661847 /nfs/dbraw/zinc/66/18/47/272661847.db2.gz ATZAPYKRAKXYHQ-SKDRFNHKSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000346628859 272661850 /nfs/dbraw/zinc/66/18/50/272661850.db2.gz ATZAPYKRAKXYHQ-SKDRFNHKSA-N 1 1 312.753 2.632 20 5 DFBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000413210242 427990317 /nfs/dbraw/zinc/99/03/17/427990317.db2.gz OUTPRPUYBYWSQV-GJZGRUSLSA-N 1 1 316.336 2.986 20 5 DFBDMO Cc1cc(-c2noc([C@H]3C[N@H+](C)C[C@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000351143912 428021167 /nfs/dbraw/zinc/02/11/67/428021167.db2.gz HINHKGPNLAUVTK-MFKMUULPSA-N 1 1 302.334 2.618 20 5 DFBDMO Cc1cc(-c2noc([C@H]3C[N@H+](C)C[C@@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000351143907 428021733 /nfs/dbraw/zinc/02/17/33/428021733.db2.gz HINHKGPNLAUVTK-GWCFXTLKSA-N 1 1 302.334 2.618 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(F)cc3F)CC2)n1 ZINC000369670492 428030813 /nfs/dbraw/zinc/03/08/13/428030813.db2.gz NEBHZHPEPZFCHD-UHFFFAOYSA-N 1 1 322.315 2.907 20 5 DFBDMO CSC1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000356126654 428032460 /nfs/dbraw/zinc/03/24/60/428032460.db2.gz MUZBBYCSFWCTPS-LBPRGKRZSA-N 1 1 322.434 2.762 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000359909983 428073288 /nfs/dbraw/zinc/07/32/88/428073288.db2.gz ZMWUUBWSXIAIGF-CZUORRHYSA-N 1 1 319.405 2.520 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000377185286 428078380 /nfs/dbraw/zinc/07/83/80/428078380.db2.gz PNXVMMZMELVGSL-LBPRGKRZSA-N 1 1 314.345 2.729 20 5 DFBDMO Cc1ccccc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369971574 428098780 /nfs/dbraw/zinc/09/87/80/428098780.db2.gz BLHPAAZTJWHHJP-HNNXBMFYSA-N 1 1 300.362 2.937 20 5 DFBDMO Cc1ccc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369996524 428105964 /nfs/dbraw/zinc/10/59/64/428105964.db2.gz DFECCTDBBGYALJ-MRXNPFEDSA-N 1 1 314.389 2.979 20 5 DFBDMO Cc1c(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)cccc1[N+](=O)[O-] ZINC000370017590 428111418 /nfs/dbraw/zinc/11/14/18/428111418.db2.gz KPNPSPVQLSTTLO-CHWSQXEVSA-N 1 1 303.362 2.716 20 5 DFBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370044568 428118193 /nfs/dbraw/zinc/11/81/93/428118193.db2.gz FBVKUARQRZSLAA-DGCLKSJQSA-N 1 1 318.352 2.845 20 5 DFBDMO C[C@@H]1C[C@H](c2cccs2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046818 428121272 /nfs/dbraw/zinc/12/12/72/428121272.db2.gz TZUOCQKBEGAZDK-MNOVXSKESA-N 1 1 306.391 2.768 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000370057671 428124013 /nfs/dbraw/zinc/12/40/13/428124013.db2.gz ZHDYZLJZXOLTQC-OAHLLOKOSA-N 1 1 314.389 2.926 20 5 DFBDMO C[C@@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000352356639 428132509 /nfs/dbraw/zinc/13/25/09/428132509.db2.gz MWSUNEVTVGBGNJ-YPMHNXCESA-N 1 1 312.373 3.180 20 5 DFBDMO COc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539658 428141394 /nfs/dbraw/zinc/14/13/94/428141394.db2.gz BNFBKRWEBUFGFW-OCCSQVGLSA-N 1 1 307.394 2.518 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2C2CC2)c2c(c1)COCO2 ZINC000377533766 428150465 /nfs/dbraw/zinc/15/04/65/428150465.db2.gz MEKXTEQYPUTGEE-OAHLLOKOSA-N 1 1 304.346 2.836 20 5 DFBDMO COc1cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000352556405 428150706 /nfs/dbraw/zinc/15/07/06/428150706.db2.gz ZLMZGCSKWHCELY-HNNXBMFYSA-N 1 1 321.421 2.910 20 5 DFBDMO Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000360081573 428151900 /nfs/dbraw/zinc/15/19/00/428151900.db2.gz GMFGGMIRFWLCET-JSGCOSHPSA-N 1 1 307.369 2.963 20 5 DFBDMO Cc1cc(C)n(CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352549315 428148189 /nfs/dbraw/zinc/14/81/89/428148189.db2.gz APINPMKSDKCXDY-UHFFFAOYSA-N 1 1 302.378 2.583 20 5 DFBDMO Cc1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000346422434 428164635 /nfs/dbraw/zinc/16/46/35/428164635.db2.gz ACXUTXKDBVLNIG-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO CC(C)CC[C@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620447 428172701 /nfs/dbraw/zinc/17/27/01/428172701.db2.gz DLECNPUXEBDRPN-HNNXBMFYSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)CC[C@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620447 428172708 /nfs/dbraw/zinc/17/27/08/428172708.db2.gz DLECNPUXEBDRPN-HNNXBMFYSA-N 1 1 308.378 2.586 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC[C@@H]1CCCCO1)CCO2 ZINC000352621569 428173023 /nfs/dbraw/zinc/17/30/23/428173023.db2.gz RCFOJDYZVHIBQR-HNNXBMFYSA-N 1 1 306.362 2.748 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC[C@@H]1CCCCO1)CCO2 ZINC000352621569 428173028 /nfs/dbraw/zinc/17/30/28/428173028.db2.gz RCFOJDYZVHIBQR-HNNXBMFYSA-N 1 1 306.362 2.748 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000377668291 428188450 /nfs/dbraw/zinc/18/84/50/428188450.db2.gz FOOHBVGIIDJHPV-GDBMZVCRSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000377668291 428188452 /nfs/dbraw/zinc/18/84/52/428188452.db2.gz FOOHBVGIIDJHPV-GDBMZVCRSA-N 1 1 320.389 2.993 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000352676221 428197338 /nfs/dbraw/zinc/19/73/38/428197338.db2.gz GQCDFRRLADMFTR-HNNXBMFYSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000352676221 428197345 /nfs/dbraw/zinc/19/73/45/428197345.db2.gz GQCDFRRLADMFTR-HNNXBMFYSA-N 1 1 308.378 2.994 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000346501440 428198991 /nfs/dbraw/zinc/19/89/91/428198991.db2.gz ZLFQJWVYPGQLRJ-RYUDHWBXSA-N 1 1 320.393 2.850 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342736 428263827 /nfs/dbraw/zinc/26/38/27/428263827.db2.gz MSZGMGSPOGSBBX-GXTWGEPZSA-N 1 1 307.394 2.738 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342736 428263832 /nfs/dbraw/zinc/26/38/32/428263832.db2.gz MSZGMGSPOGSBBX-GXTWGEPZSA-N 1 1 307.394 2.738 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000352881001 428291875 /nfs/dbraw/zinc/29/18/75/428291875.db2.gz YWRRPASJLZZLJG-GJZGRUSLSA-N 1 1 322.405 2.989 20 5 DFBDMO Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352879326 428293044 /nfs/dbraw/zinc/29/30/44/428293044.db2.gz WCZYVLFUDXRXHC-YPMHNXCESA-N 1 1 306.366 2.507 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352778748 428242267 /nfs/dbraw/zinc/24/22/67/428242267.db2.gz MDHZUKOTSOMIPP-HNNXBMFYSA-N 1 1 320.389 2.852 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346666733 428262678 /nfs/dbraw/zinc/26/26/78/428262678.db2.gz YWJHAUYHNVLOLT-LMRQPLJMSA-N 1 1 317.389 2.550 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)ccc1Cl ZINC000378172535 428326643 /nfs/dbraw/zinc/32/66/43/428326643.db2.gz GJNGTPMWZIVADM-LLVKDONJSA-N 1 1 321.768 2.746 20 5 DFBDMO Cc1c(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360526323 428332954 /nfs/dbraw/zinc/33/29/54/428332954.db2.gz FDKUIMWIIKJEEM-MBNYWOFBSA-N 1 1 319.405 2.781 20 5 DFBDMO [NH3+][C@@H]1CCC[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000346825549 428335068 /nfs/dbraw/zinc/33/50/68/428335068.db2.gz QJUABCCRYJRFNR-WEMDRRJRSA-N 1 1 301.390 2.667 20 5 DFBDMO CC(C)[C@H](N)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414792067 428413913 /nfs/dbraw/zinc/41/39/13/428413913.db2.gz IMDJAHRCJLDVHN-FVQBIDKESA-N 1 1 305.422 2.879 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353032054 428361748 /nfs/dbraw/zinc/36/17/48/428361748.db2.gz WKNBTMLPIXHORF-VIFPVBQESA-N 1 1 304.268 2.795 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353032054 428361753 /nfs/dbraw/zinc/36/17/53/428361753.db2.gz WKNBTMLPIXHORF-VIFPVBQESA-N 1 1 304.268 2.795 20 5 DFBDMO COc1cc(C[N@@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000378346579 428372553 /nfs/dbraw/zinc/37/25/53/428372553.db2.gz SAQJWXKWENEHBR-UHFFFAOYSA-N 1 1 324.377 2.613 20 5 DFBDMO COc1cc(C[N@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000378346579 428372558 /nfs/dbraw/zinc/37/25/58/428372558.db2.gz SAQJWXKWENEHBR-UHFFFAOYSA-N 1 1 324.377 2.613 20 5 DFBDMO Cc1[nH+]c(CNCc2ccc([N+](=O)[O-])cc2)c2n1CCCC2 ZINC000378397710 428386438 /nfs/dbraw/zinc/38/64/38/428386438.db2.gz QKPIEZGETJWHRI-UHFFFAOYSA-N 1 1 300.362 2.726 20 5 DFBDMO CCc1nc(NCc2ccc([N+](=O)[O-])cc2Cl)cc(C)[nH+]1 ZINC000342885827 428480039 /nfs/dbraw/zinc/48/00/39/428480039.db2.gz VJSYICYPQBCQIX-UHFFFAOYSA-N 1 1 306.753 3.521 20 5 DFBDMO CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000393281997 428484837 /nfs/dbraw/zinc/48/48/37/428484837.db2.gz YECOMPFCNUWPRU-VIFPVBQESA-N 1 1 314.183 2.863 20 5 DFBDMO CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000393281997 428484844 /nfs/dbraw/zinc/48/48/44/428484844.db2.gz YECOMPFCNUWPRU-VIFPVBQESA-N 1 1 314.183 2.863 20 5 DFBDMO CC[N@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000372762038 428501061 /nfs/dbraw/zinc/50/10/61/428501061.db2.gz DBLKDEOHSYTFQR-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCCC[C@H]1C ZINC000343070597 428515395 /nfs/dbraw/zinc/51/53/95/428515395.db2.gz FIQXUQIRGXNLSL-GHMZBOCLSA-N 1 1 311.407 2.649 20 5 DFBDMO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000353389820 428517179 /nfs/dbraw/zinc/51/71/79/428517179.db2.gz XIDMWOKZLDBQKX-ZNMIVQPWSA-N 1 1 319.405 2.566 20 5 DFBDMO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000353389820 428517182 /nfs/dbraw/zinc/51/71/82/428517182.db2.gz XIDMWOKZLDBQKX-ZNMIVQPWSA-N 1 1 319.405 2.566 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000373176574 428521007 /nfs/dbraw/zinc/52/10/07/428521007.db2.gz LVQFIGJVTAIOBR-HNNXBMFYSA-N 1 1 300.362 2.708 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347283184 428525758 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Cn1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433278700 429018662 /nfs/dbraw/zinc/01/86/62/429018662.db2.gz KRHOGFKLKQZMSO-OAHLLOKOSA-N 1 1 300.362 2.841 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915653 429018964 /nfs/dbraw/zinc/01/89/64/429018964.db2.gz VUGCIJIDINFDFF-GIPNMCIBSA-N 1 1 318.295 2.901 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000421804976 429034781 /nfs/dbraw/zinc/03/47/81/429034781.db2.gz VIBRYOHPJJSDLS-CYBMUJFWSA-N 1 1 317.389 2.592 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000375945328 429023926 /nfs/dbraw/zinc/02/39/26/429023926.db2.gz CUGKWNAWMYRXAP-JTQLQIEISA-N 1 1 321.768 2.761 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000421748537 429026668 /nfs/dbraw/zinc/02/66/68/429026668.db2.gz GCGXBRAISFMIKC-LBPRGKRZSA-N 1 1 319.405 2.673 20 5 DFBDMO COc1cc(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451839718 428995059 /nfs/dbraw/zinc/99/50/59/428995059.db2.gz DITIERVJGIPGIG-HZPDHXFCSA-N 1 1 320.389 2.993 20 5 DFBDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349576348 429006814 /nfs/dbraw/zinc/00/68/14/429006814.db2.gz FANXUFWFSOCXDX-MRXNPFEDSA-N 1 1 301.346 2.976 20 5 DFBDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349576348 429006821 /nfs/dbraw/zinc/00/68/21/429006821.db2.gz FANXUFWFSOCXDX-MRXNPFEDSA-N 1 1 301.346 2.976 20 5 DFBDMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452001922 429034545 /nfs/dbraw/zinc/03/45/45/429034545.db2.gz GGAAKMFUXYDCGB-TZMCWYRMSA-N 1 1 308.378 2.597 20 5 DFBDMO COC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000452092170 429054307 /nfs/dbraw/zinc/05/43/07/429054307.db2.gz SRABGXRJJOJZQD-ZDUSSCGKSA-N 1 1 308.378 2.852 20 5 DFBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC(C)(C)C1 ZINC000452098610 429057150 /nfs/dbraw/zinc/05/71/50/429057150.db2.gz AQLINOJDYDOHBW-UHFFFAOYSA-N 1 1 307.394 2.656 20 5 DFBDMO COC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000452107959 429059660 /nfs/dbraw/zinc/05/96/60/429059660.db2.gz UCPIRZFGMJTLHG-LBPRGKRZSA-N 1 1 318.377 2.720 20 5 DFBDMO COC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000452107959 429059663 /nfs/dbraw/zinc/05/96/63/429059663.db2.gz UCPIRZFGMJTLHG-LBPRGKRZSA-N 1 1 318.377 2.720 20 5 DFBDMO C[C@@]1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC[NH2+]C1 ZINC000423323717 429066180 /nfs/dbraw/zinc/06/61/80/429066180.db2.gz AMPCFCLIIMGAEQ-DLBZAZTESA-N 1 1 303.406 2.952 20 5 DFBDMO CC(=O)c1cc(N[C@@H]2CCc3[nH+]c(C)cn3C2)ccc1[N+](=O)[O-] ZINC000376224202 429079759 /nfs/dbraw/zinc/07/97/59/429079759.db2.gz AWLCRIDWCZUXSY-CYBMUJFWSA-N 1 1 314.345 2.729 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494705413 429147797 /nfs/dbraw/zinc/14/77/97/429147797.db2.gz ZDMYDFKCUZOEQS-KRWDZBQOSA-N 1 1 320.389 2.865 20 5 DFBDMO Cc1cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000435590347 429150487 /nfs/dbraw/zinc/15/04/87/429150487.db2.gz YQLVZZDJUUVWNP-HNNXBMFYSA-N 1 1 318.421 3.507 20 5 DFBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+]1C ZINC000413157265 429150742 /nfs/dbraw/zinc/15/07/42/429150742.db2.gz HHKHJEYPQUEPEX-RKDXNWHRSA-N 1 1 318.299 2.903 20 5 DFBDMO C[C@@H]1CC2(CN1Cc1c(F)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424295299 429121877 /nfs/dbraw/zinc/12/18/77/429121877.db2.gz RDYFUVWYTRFIAM-GFCCVEGCSA-N 1 1 307.369 2.698 20 5 DFBDMO Cc1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000376512020 429125781 /nfs/dbraw/zinc/12/57/81/429125781.db2.gz GAZZOKAYWRZCDF-HIFRSBDPSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363874800 429132118 /nfs/dbraw/zinc/13/21/18/429132118.db2.gz JFQPAJQPVHCYEJ-BPQIPLTHSA-N 1 1 315.417 2.819 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cncnc2)cc(C(F)(F)F)c1 ZINC000487192343 429140077 /nfs/dbraw/zinc/14/00/77/429140077.db2.gz XHGLEHJUCPCZHR-UHFFFAOYSA-N 1 1 312.251 2.693 20 5 DFBDMO CC(C)[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000487747405 429166974 /nfs/dbraw/zinc/16/69/74/429166974.db2.gz GOOIPCMVWMTNTN-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO O=[N+]([O-])c1c(N[C@@H]2CCc3[nH+]ccn3C2)ccc2ncccc21 ZINC000364190291 275032800 /nfs/dbraw/zinc/03/28/00/275032800.db2.gz LRTXRAAMJXNOML-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000317346665 275037746 /nfs/dbraw/zinc/03/77/46/275037746.db2.gz YNSPHCLIMABLQS-GHMZBOCLSA-N 1 1 301.350 2.510 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000157774494 275041948 /nfs/dbraw/zinc/04/19/48/275041948.db2.gz BWQCATQYLUENKO-KRWDZBQOSA-N 1 1 312.373 2.943 20 5 DFBDMO COc1cccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000364283019 429174775 /nfs/dbraw/zinc/17/47/75/429174775.db2.gz QSLTXWONFMGAQW-BFHYXJOUSA-N 1 1 317.389 2.524 20 5 DFBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C/C=C/c3ccncc3)CC2)c1 ZINC000495165589 429181778 /nfs/dbraw/zinc/18/17/78/429181778.db2.gz SCSYYFNDTNYWMV-NSCUHMNNSA-N 1 1 324.384 2.825 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCCC3CCOCC3)C2)c1 ZINC000364329352 429183440 /nfs/dbraw/zinc/18/34/40/429183440.db2.gz QUJPJPJCQIZUPV-OAHLLOKOSA-N 1 1 322.409 2.635 20 5 DFBDMO COc1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000442880596 429239276 /nfs/dbraw/zinc/23/92/76/429239276.db2.gz YVALZGSYFIOOGA-UHFFFAOYSA-N 1 1 308.378 2.993 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC1(C)C ZINC000489437452 429242566 /nfs/dbraw/zinc/24/25/66/429242566.db2.gz ZGMJWXPZCLAPKR-CQSZACIVSA-N 1 1 305.378 2.962 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3ccnc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000425277239 429256304 /nfs/dbraw/zinc/25/63/04/429256304.db2.gz CKYGCHHMBQNKDC-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)[C@@H]2C1 ZINC000425290017 429259194 /nfs/dbraw/zinc/25/91/94/429259194.db2.gz WMENHHJPAGEBQU-XJKSGUPXSA-N 1 1 312.373 2.673 20 5 DFBDMO CN(C(=O)C[N@@H+](C)C1(C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000489837867 429264521 /nfs/dbraw/zinc/26/45/21/429264521.db2.gz HPRDRLYVYMUOJC-UHFFFAOYSA-N 1 1 305.378 2.822 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449082971 429327144 /nfs/dbraw/zinc/32/71/44/429327144.db2.gz RHIOFLPPLUBANN-UKPHBRMFSA-N 1 1 303.406 2.742 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000449082971 429327147 /nfs/dbraw/zinc/32/71/47/429327147.db2.gz RHIOFLPPLUBANN-UKPHBRMFSA-N 1 1 303.406 2.742 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426488700 429397027 /nfs/dbraw/zinc/39/70/27/429397027.db2.gz XJMRKAQZQJRMEK-JSGCOSHPSA-N 1 1 306.362 2.857 20 5 DFBDMO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000449358301 429398078 /nfs/dbraw/zinc/39/80/78/429398078.db2.gz FIRPTECNACLCJK-SKDRFNHKSA-N 1 1 315.320 2.945 20 5 DFBDMO CC(C)c1nnc(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449405944 429407334 /nfs/dbraw/zinc/40/73/34/429407334.db2.gz PVWDFPMJVOCJNA-ALCCZGGFSA-N 1 1 301.350 2.639 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)n1 ZINC000365823978 429379704 /nfs/dbraw/zinc/37/97/04/429379704.db2.gz IOIAFPZGRYWIKI-OAHLLOKOSA-N 1 1 318.352 2.638 20 5 DFBDMO Cc1ccc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365840324 429382737 /nfs/dbraw/zinc/38/27/37/429382737.db2.gz MOLNDXQLKMRSBM-MRXNPFEDSA-N 1 1 314.389 2.979 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000492058539 429460651 /nfs/dbraw/zinc/46/06/51/429460651.db2.gz DQXZKVZOQOPYLP-LBPRGKRZSA-N 1 1 309.797 2.918 20 5 DFBDMO CN(C)c1cc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000492067205 429462339 /nfs/dbraw/zinc/46/23/39/429462339.db2.gz HPFRBRCFUUZJSI-FPLPWBNLSA-N 1 1 312.329 2.708 20 5 DFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449499160 429435684 /nfs/dbraw/zinc/43/56/84/429435684.db2.gz SXMYHXKULGUBDK-DOMZBBRYSA-N 1 1 308.378 2.850 20 5 DFBDMO Cc1cccc(N(C)C[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000366544455 429473658 /nfs/dbraw/zinc/47/36/58/429473658.db2.gz SMWVKTCTGABDBX-ZDUSSCGKSA-N 1 1 300.362 2.799 20 5 DFBDMO COC(=O)c1cc(N[C@@H](C)C[N@@H+](C)C(C)C)cc(C)c1[N+](=O)[O-] ZINC000521948184 429570093 /nfs/dbraw/zinc/57/00/93/429570093.db2.gz ZURBLJCUPBHMOO-LBPRGKRZSA-N 1 1 323.393 2.830 20 5 DFBDMO COCC(C)(C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000429264710 429592607 /nfs/dbraw/zinc/59/26/07/429592607.db2.gz NLNQCUATACIWOA-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO COCC(C)(C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000429264710 429592612 /nfs/dbraw/zinc/59/26/12/429592612.db2.gz NLNQCUATACIWOA-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450375775 429612728 /nfs/dbraw/zinc/61/27/28/429612728.db2.gz FMPCDRWMSLXYSE-BLLLJJGKSA-N 1 1 314.389 3.284 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000430214494 429663660 /nfs/dbraw/zinc/66/36/60/429663660.db2.gz ZOGFQEPDKWWYIV-DZGCQCFKSA-N 1 1 306.362 2.604 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000430209759 429663728 /nfs/dbraw/zinc/66/37/28/429663728.db2.gz YUSFBMVKEDKIAA-SNVBAGLBSA-N 1 1 305.309 2.988 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000430211506 429664057 /nfs/dbraw/zinc/66/40/57/429664057.db2.gz ANAGHDHTVFWXHU-HNNXBMFYSA-N 1 1 308.378 2.850 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000430211506 429664062 /nfs/dbraw/zinc/66/40/62/429664062.db2.gz ANAGHDHTVFWXHU-HNNXBMFYSA-N 1 1 308.378 2.850 20 5 DFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430217182 429664218 /nfs/dbraw/zinc/66/42/18/429664218.db2.gz IVPBGBYOKFFEDS-INIZCTEOSA-N 1 1 308.378 2.588 20 5 DFBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188078410 276167623 /nfs/dbraw/zinc/16/76/23/276167623.db2.gz CEDMCAVKJVJBDG-LLVKDONJSA-N 1 1 323.418 2.531 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367625175 429689871 /nfs/dbraw/zinc/68/98/71/429689871.db2.gz XDCZQXYRPQYVAC-OAGGEKHMSA-N 1 1 319.405 2.566 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000408172515 276234424 /nfs/dbraw/zinc/23/44/24/276234424.db2.gz XJPPDDWXJMYJOZ-KGLIPLIRSA-N 1 1 304.394 2.670 20 5 DFBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000430758373 429713861 /nfs/dbraw/zinc/71/38/61/429713861.db2.gz AFFJLVGCRVWJRA-QGZVFWFLSA-N 1 1 319.405 2.676 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCN1CCCC1=O ZINC000527054891 429718883 /nfs/dbraw/zinc/71/88/83/429718883.db2.gz QKCGMQCUIJZSGN-SDNWHVSQSA-N 1 1 317.389 2.552 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367840027 429727942 /nfs/dbraw/zinc/72/79/42/429727942.db2.gz FCBJHDJESGKZOD-LBPRGKRZSA-N 1 1 314.345 2.525 20 5 DFBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451262318 429798490 /nfs/dbraw/zinc/79/84/90/429798490.db2.gz XJTPYSBGLJSPRK-BBRMVZONSA-N 1 1 322.405 2.975 20 5 DFBDMO CC(C)[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487079258 429764490 /nfs/dbraw/zinc/76/44/90/429764490.db2.gz BMUABGLGZCQMPJ-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO CCOc1cc(N2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487070590 429765563 /nfs/dbraw/zinc/76/55/63/429765563.db2.gz UWJLUECRCQYVIJ-HNNXBMFYSA-N 1 1 307.394 2.770 20 5 DFBDMO COc1cc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451094328 429768446 /nfs/dbraw/zinc/76/84/46/429768446.db2.gz PGQOQHKRURHHMH-ZDUSSCGKSA-N 1 1 319.405 2.520 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451413872 429824820 /nfs/dbraw/zinc/82/48/20/429824820.db2.gz HRFNQDJLAOZPAG-DJSGYFEHSA-N 1 1 308.353 2.859 20 5 DFBDMO Nc1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000451552134 429851878 /nfs/dbraw/zinc/85/18/78/429851878.db2.gz VSDRTXUBXFOONI-OAHLLOKOSA-N 1 1 312.373 2.952 20 5 DFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCn3cccn3)C2)cc1 ZINC000451549657 429852057 /nfs/dbraw/zinc/85/20/57/429852057.db2.gz PYEDHQUSLXXNGM-OAHLLOKOSA-N 1 1 300.362 2.671 20 5 DFBDMO CC(C)OC[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551697 429852188 /nfs/dbraw/zinc/85/21/88/429852188.db2.gz UQFGPAIMGSFPMG-DOTOQJQBSA-N 1 1 322.405 2.560 20 5 DFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCn3ccnc3)C2)cc1 ZINC000451551196 429852384 /nfs/dbraw/zinc/85/23/84/429852384.db2.gz TUGMPKLUEMBRLC-HNNXBMFYSA-N 1 1 300.362 2.671 20 5 DFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cnns3)C2)cc1 ZINC000451549610 429852511 /nfs/dbraw/zinc/85/25/11/429852511.db2.gz PRHZRSGDHUFGPU-LBPRGKRZSA-N 1 1 304.375 2.826 20 5 DFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cnns3)C2)cc1 ZINC000451549610 429852513 /nfs/dbraw/zinc/85/25/13/429852513.db2.gz PRHZRSGDHUFGPU-LBPRGKRZSA-N 1 1 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301336883 /nfs/dbraw/zinc/33/68/83/301336883.db2.gz GMFGGMIRFWLCET-TZMCWYRMSA-N 1 1 307.369 2.963 20 5 DFBDMO C[C@H]1CN(C)CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000539089283 301337843 /nfs/dbraw/zinc/33/78/43/301337843.db2.gz QUNJDTCMPSRWQR-WMLDXEAASA-N 1 1 305.422 2.847 20 5 DFBDMO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000539088715 301338056 /nfs/dbraw/zinc/33/80/56/301338056.db2.gz YTSZOOZZHZXBTG-BLLLJJGKSA-N 1 1 316.357 2.988 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000563605823 302086872 /nfs/dbraw/zinc/08/68/72/302086872.db2.gz ZXKQDVCWNZAUAC-VIFPVBQESA-N 1 1 318.299 2.762 20 5 DFBDMO CCCC[C@H](C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000563841161 302102081 /nfs/dbraw/zinc/10/20/81/302102081.db2.gz JYCAEQHWTHWAAP-ZDUSSCGKSA-N 1 1 319.405 2.994 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000567792719 302389898 /nfs/dbraw/zinc/38/98/98/302389898.db2.gz OFYCCURHBNZCBL-YOEHRIQHSA-N 1 1 320.389 2.865 20 5 DFBDMO Cc1[nH+]ccn1CCCn1ccc2ccc([N+](=O)[O-])cc2c1=O ZINC000573844550 302727067 /nfs/dbraw/zinc/72/70/67/302727067.db2.gz BGUKSOWQVPMIRM-UHFFFAOYSA-N 1 1 312.329 2.505 20 5 DFBDMO CC(C)CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181554734 316063208 /nfs/dbraw/zinc/06/32/08/316063208.db2.gz WMQDVEOUWROKQM-OAHLLOKOSA-N 1 1 322.405 2.845 20 5 DFBDMO C[N@H+]1CCC[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000317403156 316247666 /nfs/dbraw/zinc/24/76/66/316247666.db2.gz GZGCTIUCFJYZKK-GFCCVEGCSA-N 1 1 300.362 2.897 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000320107836 316252853 /nfs/dbraw/zinc/25/28/53/316252853.db2.gz ABYPFILGDAUMGL-JTQLQIEISA-N 1 1 321.406 2.742 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000320107841 316252866 /nfs/dbraw/zinc/25/28/66/316252866.db2.gz ABYPFILGDAUMGL-SNVBAGLBSA-N 1 1 321.406 2.742 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnn1C(C)C ZINC000354330588 316541483 /nfs/dbraw/zinc/54/14/83/316541483.db2.gz AWCFYTSSGPHBSV-UHFFFAOYSA-N 1 1 304.350 2.671 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000446730116 317020915 /nfs/dbraw/zinc/02/09/15/317020915.db2.gz ULGOEZFIGIXMOB-CYBMUJFWSA-N 1 1 308.378 2.960 20 5 DFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449559601 317044904 /nfs/dbraw/zinc/04/49/04/317044904.db2.gz CBHYNDUJAXACPJ-WWTUQBGBSA-N 1 1 303.406 2.741 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449673028 317052252 /nfs/dbraw/zinc/05/22/52/317052252.db2.gz NSZKKWHCEWZOQT-AAEUAGOBSA-N 1 1 318.295 2.648 20 5 DFBDMO C[N@H+]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450211293 317068671 /nfs/dbraw/zinc/06/86/71/317068671.db2.gz PAKUPWSUGCWLPB-UHFFFAOYSA-N 1 1 318.402 2.860 20 5 DFBDMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452853557 317139143 /nfs/dbraw/zinc/13/91/43/317139143.db2.gz NZYLKDKNTBSTMS-OAHLLOKOSA-N 1 1 319.405 2.641 20 5 DFBDMO CCCC[N@@H+](C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488064757 317365632 /nfs/dbraw/zinc/36/56/32/317365632.db2.gz BYBIOSLEXPSCKI-UHFFFAOYSA-N 1 1 302.378 2.709 20 5 DFBDMO COc1ccc(NC(=O)CC[N@@H+](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000574808937 318041942 /nfs/dbraw/zinc/04/19/42/318041942.db2.gz IXNPCEAIWOELSC-UHFFFAOYSA-N 1 1 309.366 2.662 20 5 DFBDMO C[C@H]1CN(C)CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576143152 318106662 /nfs/dbraw/zinc/10/66/62/318106662.db2.gz NRJUSNVIMPZKLW-BLLLJJGKSA-N 1 1 316.405 2.548 20 5 DFBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000576326490 318118507 /nfs/dbraw/zinc/11/85/07/318118507.db2.gz BSDUYULLTCOFNU-NSHDSACASA-N 1 1 319.340 2.557 20 5 DFBDMO C[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000578828978 318287506 /nfs/dbraw/zinc/28/75/06/318287506.db2.gz CVEKKSZQEIRBTL-CYBMUJFWSA-N 1 1 319.405 2.689 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000578949721 318296469 /nfs/dbraw/zinc/29/64/69/318296469.db2.gz NYVXSFPNWUUEAO-STQMWFEESA-N 1 1 300.362 2.879 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000579116108 318308249 /nfs/dbraw/zinc/30/82/49/318308249.db2.gz GPIGNTZEPDSGGN-LLVKDONJSA-N 1 1 313.361 2.561 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CCc3[nH]c[nH+]c3C1)CCCC2 ZINC000579116108 318308251 /nfs/dbraw/zinc/30/82/51/318308251.db2.gz GPIGNTZEPDSGGN-LLVKDONJSA-N 1 1 313.361 2.561 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)c1 ZINC000349890912 501083147 /nfs/dbraw/zinc/08/31/47/501083147.db2.gz DJXDZMZKDRSIJA-NSHDSACASA-N 1 1 311.301 2.571 20 5 DFBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])nc1 ZINC000309787902 533746522 /nfs/dbraw/zinc/74/65/22/533746522.db2.gz GYUCJHKCTMBDJX-ZDUSSCGKSA-N 1 1 300.362 2.922 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000305863158 533821625 /nfs/dbraw/zinc/82/16/25/533821625.db2.gz YSGJGPODTXAOQK-YOEHRIQHSA-N 1 1 320.389 2.730 20 5 DFBDMO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293692949 533886927 /nfs/dbraw/zinc/88/69/27/533886927.db2.gz MPEDFEABHFFDFL-CYBMUJFWSA-N 1 1 317.389 2.541 20 5 DFBDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000331997211 533972868 /nfs/dbraw/zinc/97/28/68/533972868.db2.gz BJIQZJXTVBCRQP-UKRRQHHQSA-N 1 1 318.377 2.652 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295620757 534095631 /nfs/dbraw/zinc/09/56/31/534095631.db2.gz OJYSWVAOCLKESH-WFASDCNBSA-N 1 1 321.377 2.818 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295620757 534095638 /nfs/dbraw/zinc/09/56/38/534095638.db2.gz OJYSWVAOCLKESH-WFASDCNBSA-N 1 1 321.377 2.818 20 5 DFBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293692952 534432098 /nfs/dbraw/zinc/43/20/98/534432098.db2.gz MPEDFEABHFFDFL-ZDUSSCGKSA-N 1 1 317.389 2.541 20 5 DFBDMO Cc1nc(N(C)CC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000301651065 534437858 /nfs/dbraw/zinc/43/78/58/534437858.db2.gz PZTVEPYSAOBKPH-UHFFFAOYSA-N 1 1 306.410 2.999 20 5 DFBDMO COc1cc(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000363815465 522372373 /nfs/dbraw/zinc/37/23/73/522372373.db2.gz HSFZELORRCHTRA-HIFRSBDPSA-N 1 1 324.352 2.886 20 5 DFBDMO COc1cc(C[N@H+]2CCCO[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000363815465 522372378 /nfs/dbraw/zinc/37/23/78/522372378.db2.gz HSFZELORRCHTRA-HIFRSBDPSA-N 1 1 324.352 2.886 20 5 DFBDMO Cc1cc(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000364204219 525176170 /nfs/dbraw/zinc/17/61/70/525176170.db2.gz WQGSJIHRBFIJLA-CQSZACIVSA-N 1 1 318.377 2.605 20 5 DFBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000299340276 534838756 /nfs/dbraw/zinc/83/87/56/534838756.db2.gz OEODXEQIHMXTLC-UHFFFAOYSA-N 1 1 324.768 2.560 20 5 DFBDMO Cc1cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363811115 525204162 /nfs/dbraw/zinc/20/41/62/525204162.db2.gz CIKDGUCNYFHJEJ-KBPBESRZSA-N 1 1 318.377 2.652 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000317351641 534882067 /nfs/dbraw/zinc/88/20/67/534882067.db2.gz YYQJTMLOQFDOBF-MNOVXSKESA-N 1 1 306.322 2.542 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1F ZINC000365093353 527348874 /nfs/dbraw/zinc/34/88/74/527348874.db2.gz ZZXRHBAYUIXLGV-CQSZACIVSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1F ZINC000365093353 527348878 /nfs/dbraw/zinc/34/88/78/527348878.db2.gz ZZXRHBAYUIXLGV-CQSZACIVSA-N 1 1 317.320 2.782 20 5 DFBDMO Cc1nn(C)c(N[C@H]2CC[N@H+](C3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000364268023 527679938 /nfs/dbraw/zinc/67/99/38/527679938.db2.gz SOXVMSNHXSAZKH-ZDUSSCGKSA-N 1 1 321.425 2.846 20 5 DFBDMO CCC[N@@H+](CC)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000299387490 527963969 /nfs/dbraw/zinc/96/39/69/527963969.db2.gz QBHMLWYFMMITLW-UHFFFAOYSA-N 1 1 309.366 2.664 20 5 DFBDMO CCOc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301967899 528307624 /nfs/dbraw/zinc/30/76/24/528307624.db2.gz XCIDACRVDKQXKY-TZMCWYRMSA-N 1 1 307.394 2.770 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000330752221 528409556 /nfs/dbraw/zinc/40/95/56/528409556.db2.gz ILYJNDTWPBZBMR-GXTWGEPZSA-N 1 1 305.378 2.646 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000330752221 528409559 /nfs/dbraw/zinc/40/95/59/528409559.db2.gz ILYJNDTWPBZBMR-GXTWGEPZSA-N 1 1 305.378 2.646 20 5 DFBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000354471913 535011502 /nfs/dbraw/zinc/01/15/02/535011502.db2.gz DAOJKGNPQNBVAG-UHFFFAOYSA-N 1 1 303.309 2.948 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CCO)C1 ZINC000357822409 535022722 /nfs/dbraw/zinc/02/27/22/535022722.db2.gz YPWWXMIUSQPYFR-ZDUSSCGKSA-N 1 1 308.378 2.586 20 5 DFBDMO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000361659410 536164237 /nfs/dbraw/zinc/16/42/37/536164237.db2.gz ZUZFDSYOBOFDHZ-RYUDHWBXSA-N 1 1 323.418 2.745 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000361659410 536164239 /nfs/dbraw/zinc/16/42/39/536164239.db2.gz ZUZFDSYOBOFDHZ-RYUDHWBXSA-N 1 1 323.418 2.745 20 5 DFBDMO Nc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000278486411 214185840 /nfs/dbraw/zinc/18/58/40/214185840.db2.gz GPHFDTMPMSXWOV-HNNXBMFYSA-N 1 1 312.373 2.863 20 5 DFBDMO Cc1[nH+]ccn1CCCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278519140 214208334 /nfs/dbraw/zinc/20/83/34/214208334.db2.gz YVZSLJXYFSLZPJ-UHFFFAOYSA-N 1 1 315.377 2.960 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000278733578 214362664 /nfs/dbraw/zinc/36/26/64/214362664.db2.gz IGNDOEXGJUELCZ-CQSZACIVSA-N 1 1 319.405 2.593 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000317198489 231158677 /nfs/dbraw/zinc/15/86/77/231158677.db2.gz LBWLUNUIAQVDJU-MNOVXSKESA-N 1 1 323.780 2.605 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000322601532 231211528 /nfs/dbraw/zinc/21/15/28/231211528.db2.gz MVOVPMZRSZLTME-IIAWOOMASA-N 1 1 320.389 2.729 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214687 185219960 /nfs/dbraw/zinc/21/99/60/185219960.db2.gz WJNGPDLLPLEAAY-GFCCVEGCSA-N 1 1 318.377 2.510 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007785799 398365126 /nfs/dbraw/zinc/36/51/26/398365126.db2.gz BBVJYVWRNYQKEX-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007785799 398365129 /nfs/dbraw/zinc/36/51/29/398365129.db2.gz BBVJYVWRNYQKEX-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO CCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000050999235 425882376 /nfs/dbraw/zinc/88/23/76/425882376.db2.gz ITSIMHYOYYPWHN-ZFWWWQNUSA-N 1 1 319.405 2.894 20 5 DFBDMO C[C@H]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)[N@H+]1C ZINC000596224115 398361832 /nfs/dbraw/zinc/36/18/32/398361832.db2.gz VXDQRDPMIOJWPC-IUCAKERBSA-N 1 1 318.299 2.903 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000008318245 398371558 /nfs/dbraw/zinc/37/15/58/398371558.db2.gz KPZCMJDCYWOTRO-GFCCVEGCSA-N 1 1 321.377 2.662 20 5 DFBDMO CC[N@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000596269618 398372726 /nfs/dbraw/zinc/37/27/26/398372726.db2.gz VOZZFZOGLLUCTG-SNVBAGLBSA-N 1 1 321.406 2.520 20 5 DFBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000083174574 398384835 /nfs/dbraw/zinc/38/48/35/398384835.db2.gz YZIUQMUUYXXTKV-LBPRGKRZSA-N 1 1 318.377 2.510 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278205147 214021738 /nfs/dbraw/zinc/02/17/38/214021738.db2.gz FIAOXDAXHPGFJE-VIFPVBQESA-N 1 1 318.299 2.903 20 5 DFBDMO COc1cc(C[N@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OC ZINC000092427992 185317427 /nfs/dbraw/zinc/31/74/27/185317427.db2.gz LLIJZKBFRKFNRE-ZDUSSCGKSA-N 1 1 324.377 2.613 20 5 DFBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OC ZINC000092427992 185317428 /nfs/dbraw/zinc/31/74/28/185317428.db2.gz LLIJZKBFRKFNRE-ZDUSSCGKSA-N 1 1 324.377 2.613 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000015257949 398393979 /nfs/dbraw/zinc/39/39/79/398393979.db2.gz WFLBIMFIPCQHGH-TXEJJXNPSA-N 1 1 306.362 2.939 20 5 DFBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000592179964 398397042 /nfs/dbraw/zinc/39/70/42/398397042.db2.gz AXDGJPHJDLTWFK-UHFFFAOYSA-N 1 1 307.350 2.623 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286618941 219087330 /nfs/dbraw/zinc/08/73/30/219087330.db2.gz RXKJXBJGNIYJDM-YPMHNXCESA-N 1 1 318.295 2.588 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286618941 219087333 /nfs/dbraw/zinc/08/73/33/219087333.db2.gz RXKJXBJGNIYJDM-YPMHNXCESA-N 1 1 318.295 2.588 20 5 DFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCC[C@@H]1O ZINC000181442332 199297826 /nfs/dbraw/zinc/29/78/26/199297826.db2.gz VQRUPAQSLGFEEE-RISCZKNCSA-N 1 1 319.361 2.719 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459404714 299098811 /nfs/dbraw/zinc/09/88/11/299098811.db2.gz JELWYXSUJKSVMR-UHFFFAOYSA-N 1 1 314.345 2.561 20 5 DFBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCSC ZINC000592200115 398400913 /nfs/dbraw/zinc/40/09/13/398400913.db2.gz KCLBJYYGERNRFL-UHFFFAOYSA-N 1 1 314.407 2.667 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883768 529811293 /nfs/dbraw/zinc/81/12/93/529811293.db2.gz YAFFLNHPHZMJMC-YXMMZVCTSA-N 1 1 301.390 2.636 20 5 DFBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncccc1[N+](=O)[O-] ZINC000286692706 219112280 /nfs/dbraw/zinc/11/22/80/219112280.db2.gz ZCSIEQQUERQUPF-UHFFFAOYSA-N 1 1 304.350 2.541 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000067052667 398414505 /nfs/dbraw/zinc/41/45/05/398414505.db2.gz PHPRNFDMWYLVQV-KBPBESRZSA-N 1 1 319.405 2.896 20 5 DFBDMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000023991615 398427377 /nfs/dbraw/zinc/42/73/77/398427377.db2.gz VJUJXNRRKHILOQ-NSHDSACASA-N 1 1 309.366 2.662 20 5 DFBDMO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000286709996 219122666 /nfs/dbraw/zinc/12/26/66/219122666.db2.gz FNTYFYOUPISAEF-ZDUSSCGKSA-N 1 1 306.391 2.936 20 5 DFBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000286709996 219122669 /nfs/dbraw/zinc/12/26/69/219122669.db2.gz FNTYFYOUPISAEF-ZDUSSCGKSA-N 1 1 306.391 2.936 20 5 DFBDMO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C1=CC[N@@H+](C)CC1 ZINC000286720143 219128469 /nfs/dbraw/zinc/12/84/69/219128469.db2.gz DZGWAWHMVMDNDR-VIFPVBQESA-N 1 1 319.390 2.662 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000585796331 398447723 /nfs/dbraw/zinc/44/77/23/398447723.db2.gz QLAHJIVBDUFTKC-OLZOCXBDSA-N 1 1 305.378 2.633 20 5 DFBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1ncc([N+](=O)[O-])cn1 ZINC000302224980 530000167 /nfs/dbraw/zinc/00/01/67/530000167.db2.gz OHQZNFYOWYJTMW-UHFFFAOYSA-N 1 1 315.377 2.707 20 5 DFBDMO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000596626742 398464312 /nfs/dbraw/zinc/46/43/12/398464312.db2.gz QMPOTGYXDQCZFB-ZDUSSCGKSA-N 1 1 320.393 2.898 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000027132930 398459820 /nfs/dbraw/zinc/45/98/20/398459820.db2.gz LXUZSOLHVCUDGA-NSHDSACASA-N 1 1 323.393 2.908 20 5 DFBDMO CCN(C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000596636838 398467163 /nfs/dbraw/zinc/46/71/63/398467163.db2.gz WJAWCCBIQFAEDM-CYBMUJFWSA-N 1 1 320.393 2.851 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000330931521 232175051 /nfs/dbraw/zinc/17/50/51/232175051.db2.gz UNBFNHPGBJPFHO-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000330931521 232175055 /nfs/dbraw/zinc/17/50/55/232175055.db2.gz UNBFNHPGBJPFHO-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000083419594 192370704 /nfs/dbraw/zinc/37/07/04/192370704.db2.gz CYVQIJITJPANAM-UHFFFAOYSA-N 1 1 323.418 2.751 20 5 DFBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000592754361 398481153 /nfs/dbraw/zinc/48/11/53/398481153.db2.gz DULVCARCWSQQFG-GFCCVEGCSA-N 1 1 316.361 2.621 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090145557 398482527 /nfs/dbraw/zinc/48/25/27/398482527.db2.gz QJDSRIQNBUTHFJ-HUUCEWRRSA-N 1 1 305.378 2.568 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000588822843 398509546 /nfs/dbraw/zinc/50/95/46/398509546.db2.gz GWQHYDPGYQMRHI-UONOGXRCSA-N 1 1 321.425 2.573 20 5 DFBDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc3n(n2)CCC3)cc1[N+](=O)[O-] ZINC000593021797 398522092 /nfs/dbraw/zinc/52/20/92/398522092.db2.gz WRAQEYOKESEATC-GFCCVEGCSA-N 1 1 300.362 2.897 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000068722855 398522640 /nfs/dbraw/zinc/52/26/40/398522640.db2.gz CIVKZAWXGIFOGE-LBPRGKRZSA-N 1 1 300.362 2.897 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(Cn2c[nH+]c3c2CCCC3)c1 ZINC000593031753 398524968 /nfs/dbraw/zinc/52/49/68/398524968.db2.gz MTLTYCHRLIOTCK-UHFFFAOYSA-N 1 1 315.329 2.505 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C)CC1 ZINC000068837867 398532342 /nfs/dbraw/zinc/53/23/42/398532342.db2.gz CJYNGUPNIVLDOD-LBPRGKRZSA-N 1 1 305.378 2.964 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C)CC1 ZINC000068837867 398532345 /nfs/dbraw/zinc/53/23/45/398532345.db2.gz CJYNGUPNIVLDOD-LBPRGKRZSA-N 1 1 305.378 2.964 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091480125 398532747 /nfs/dbraw/zinc/53/27/47/398532747.db2.gz CYTPCOFUEPIFMC-LBPRGKRZSA-N 1 1 316.361 2.848 20 5 DFBDMO Cc1cccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000032729889 398536342 /nfs/dbraw/zinc/53/63/42/398536342.db2.gz XMBIRQXGLOMDHI-KGLIPLIRSA-N 1 1 319.405 2.896 20 5 DFBDMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000320329869 398547589 /nfs/dbraw/zinc/54/75/89/398547589.db2.gz YUKXIRLYSRRSPY-ZDUSSCGKSA-N 1 1 322.361 2.521 20 5 DFBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000320329869 398547592 /nfs/dbraw/zinc/54/75/92/398547592.db2.gz YUKXIRLYSRRSPY-ZDUSSCGKSA-N 1 1 322.361 2.521 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)nc2c1 ZINC000593118971 398550424 /nfs/dbraw/zinc/55/04/24/398550424.db2.gz ZTUZIILUGTYVIL-CYBMUJFWSA-N 1 1 309.272 2.967 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)nc2c1 ZINC000593118971 398550427 /nfs/dbraw/zinc/55/04/27/398550427.db2.gz ZTUZIILUGTYVIL-CYBMUJFWSA-N 1 1 309.272 2.967 20 5 DFBDMO CCCCOC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000279773298 215134227 /nfs/dbraw/zinc/13/42/27/215134227.db2.gz TTWYPBLKJPJGPB-KRWDZBQOSA-N 1 1 322.405 2.737 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000589494552 398556398 /nfs/dbraw/zinc/55/63/98/398556398.db2.gz NMYQVPQVZXRPIZ-TXEJJXNPSA-N 1 1 306.362 2.859 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCS[C@H](C)CC2)c1 ZINC000589513051 398558632 /nfs/dbraw/zinc/55/86/32/398558632.db2.gz ZXQBIDIKWDAFNA-LLVKDONJSA-N 1 1 324.402 2.709 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000589514788 398558832 /nfs/dbraw/zinc/55/88/32/398558832.db2.gz MKYGNPIKBJFKHE-FZMZJTMJSA-N 1 1 304.346 2.756 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000092218624 398562597 /nfs/dbraw/zinc/56/25/97/398562597.db2.gz OLIWRKSZAFTOSS-HNNXBMFYSA-N 1 1 319.405 2.751 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000593190058 398568307 /nfs/dbraw/zinc/56/83/07/398568307.db2.gz DELACAKELCXCPP-MGPQQGTHSA-N 1 1 319.405 2.765 20 5 DFBDMO Cc1cc(C(=O)NCCC[N@H+](C)CC(C)C)cc([N+](=O)[O-])c1 ZINC000593203731 398571686 /nfs/dbraw/zinc/57/16/86/398571686.db2.gz FYWWHZJIKWHYPO-UHFFFAOYSA-N 1 1 307.394 2.611 20 5 DFBDMO CCCc1[nH+]ccn1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593236356 398578044 /nfs/dbraw/zinc/57/80/44/398578044.db2.gz FCMLYCDKNNHSAB-UHFFFAOYSA-N 1 1 303.318 2.579 20 5 DFBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000279955110 215268976 /nfs/dbraw/zinc/26/89/76/215268976.db2.gz XXMXUYFVUGVUGR-JDFRZJQESA-N 1 1 320.389 2.672 20 5 DFBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000279955110 215268979 /nfs/dbraw/zinc/26/89/79/215268979.db2.gz XXMXUYFVUGVUGR-JDFRZJQESA-N 1 1 320.389 2.672 20 5 DFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC1 ZINC000092622497 398588701 /nfs/dbraw/zinc/58/87/01/398588701.db2.gz FFPSLVXCFANTQR-UHFFFAOYSA-N 1 1 301.293 2.702 20 5 DFBDMO Cc1cc(N2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000092653007 398590274 /nfs/dbraw/zinc/59/02/74/398590274.db2.gz QUHSXKSUCNSRBM-MRXNPFEDSA-N 1 1 319.405 2.594 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590012292 398590490 /nfs/dbraw/zinc/59/04/90/398590490.db2.gz QCYJYUDGLJXCTC-BBRMVZONSA-N 1 1 319.405 2.518 20 5 DFBDMO CCOc1cc(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000092656975 398590966 /nfs/dbraw/zinc/59/09/66/398590966.db2.gz VOXZKARNAXCJMR-OCCSQVGLSA-N 1 1 307.394 2.912 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](CCF)C1)OCCO2 ZINC000597211197 398592103 /nfs/dbraw/zinc/59/21/03/398592103.db2.gz LHIQCAUDQSBXJS-GFCCVEGCSA-N 1 1 324.352 2.938 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597223628 398597059 /nfs/dbraw/zinc/59/70/59/398597059.db2.gz ROJZHWZZVMIKLY-ZIAGYGMSSA-N 1 1 312.373 2.837 20 5 DFBDMO Cc1nc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000092736721 398597548 /nfs/dbraw/zinc/59/75/48/398597548.db2.gz CVAFUDVRPAEWMC-UHFFFAOYSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nnc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)[nH]1 ZINC000092736721 398597551 /nfs/dbraw/zinc/59/75/51/398597551.db2.gz CVAFUDVRPAEWMC-UHFFFAOYSA-N 1 1 315.377 2.709 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000070791791 398599880 /nfs/dbraw/zinc/59/98/80/398599880.db2.gz NPHRZIQYMWNKJN-LLVKDONJSA-N 1 1 323.422 2.980 20 5 DFBDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000459694141 299166566 /nfs/dbraw/zinc/16/65/66/299166566.db2.gz DEHAUYBLLYJRPJ-DZGCQCFKSA-N 1 1 318.373 2.604 20 5 DFBDMO C[C@@H](c1cccnc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664974 398629611 /nfs/dbraw/zinc/62/96/11/398629611.db2.gz WREDPGATPAWARG-JSGCOSHPSA-N 1 1 313.361 2.632 20 5 DFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072697850 398630338 /nfs/dbraw/zinc/63/03/38/398630338.db2.gz PVDSBCKBKPSFQF-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152632467 186092007 /nfs/dbraw/zinc/09/20/07/186092007.db2.gz LCWYPFDPAIDMLU-UPJWGTAASA-N 1 1 303.362 2.654 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000072871793 398643681 /nfs/dbraw/zinc/64/36/81/398643681.db2.gz GJRYIDRJUMHYGS-LOWVWBTDSA-N 1 1 305.378 2.818 20 5 DFBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000590661414 398647958 /nfs/dbraw/zinc/64/79/58/398647958.db2.gz GZARDEHNDHZWDK-IAQYHMDHSA-N 1 1 302.330 2.810 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000094121282 398653406 /nfs/dbraw/zinc/65/34/06/398653406.db2.gz FYDITKAMRDBZPA-CQSZACIVSA-N 1 1 319.405 2.544 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459733922 299175969 /nfs/dbraw/zinc/17/59/69/299175969.db2.gz VCDMSCOCXSTFAH-LSDHHAIUSA-N 1 1 318.373 2.604 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459733922 299175973 /nfs/dbraw/zinc/17/59/73/299175973.db2.gz VCDMSCOCXSTFAH-LSDHHAIUSA-N 1 1 318.373 2.604 20 5 DFBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CCc2c[nH+]cn2C1 ZINC000590702872 398655381 /nfs/dbraw/zinc/65/53/81/398655381.db2.gz RYNODQUQXBQVRF-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000171948587 198012897 /nfs/dbraw/zinc/01/28/97/198012897.db2.gz YIRKNZZAGAJCGZ-GFCCVEGCSA-N 1 1 323.393 2.910 20 5 DFBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171956527 198015217 /nfs/dbraw/zinc/01/52/17/198015217.db2.gz AQFJYKRTGLLXLR-LBPRGKRZSA-N 1 1 323.393 2.940 20 5 DFBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171956527 198015219 /nfs/dbraw/zinc/01/52/19/198015219.db2.gz AQFJYKRTGLLXLR-LBPRGKRZSA-N 1 1 323.393 2.940 20 5 DFBDMO CC[N@H+](CCC(=O)OC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172177131 198052615 /nfs/dbraw/zinc/05/26/15/198052615.db2.gz MMBCZMQEEQTWLC-UHFFFAOYSA-N 1 1 300.742 2.633 20 5 DFBDMO CC[N@@H+](CCC(=O)OC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172177131 198052617 /nfs/dbraw/zinc/05/26/17/198052617.db2.gz MMBCZMQEEQTWLC-UHFFFAOYSA-N 1 1 300.742 2.633 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000597604494 398667712 /nfs/dbraw/zinc/66/77/12/398667712.db2.gz JCYQNVYRFOVCME-AWEZNQCLSA-N 1 1 319.405 2.768 20 5 DFBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000172858115 198159160 /nfs/dbraw/zinc/15/91/60/198159160.db2.gz CMLOEVQPQFSGFB-QWHCGFSZSA-N 1 1 305.378 2.678 20 5 DFBDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072897154 191249360 /nfs/dbraw/zinc/24/93/60/191249360.db2.gz RJBBDBBDXLJOIC-CHWSQXEVSA-N 1 1 305.378 2.678 20 5 DFBDMO CCOC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000072975852 191262204 /nfs/dbraw/zinc/26/22/04/191262204.db2.gz ROIJQRDGKQOFGR-CQSZACIVSA-N 1 1 308.378 2.722 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597859306 398705943 /nfs/dbraw/zinc/70/59/43/398705943.db2.gz UCMYWRCMGZKVTE-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046479182 398708519 /nfs/dbraw/zinc/70/85/19/398708519.db2.gz PYHQXQDTJXLAHN-SDDRHHMPSA-N 1 1 311.357 2.644 20 5 DFBDMO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046479182 398708523 /nfs/dbraw/zinc/70/85/23/398708523.db2.gz PYHQXQDTJXLAHN-SDDRHHMPSA-N 1 1 311.357 2.644 20 5 DFBDMO C[N@H+](CCc1ccc(Cl)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174862141 198393972 /nfs/dbraw/zinc/39/39/72/198393972.db2.gz XYSWTLWSPNHKPD-UHFFFAOYSA-N 1 1 308.769 2.619 20 5 DFBDMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000108496911 398712170 /nfs/dbraw/zinc/71/21/70/398712170.db2.gz WITDHGRCJYHAOD-ZDUSSCGKSA-N 1 1 318.377 2.509 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061807 398720164 /nfs/dbraw/zinc/72/01/64/398720164.db2.gz JESBRSAAMRIRMW-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO COc1cc(N[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000277043057 213259219 /nfs/dbraw/zinc/25/92/19/213259219.db2.gz PMEIRYCNVJFTSO-NSHDSACASA-N 1 1 309.366 2.507 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000594017187 398721668 /nfs/dbraw/zinc/72/16/68/398721668.db2.gz UCFHMBJLPYALOO-AWEZNQCLSA-N 1 1 308.378 2.730 20 5 DFBDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922923 398721972 /nfs/dbraw/zinc/72/19/72/398721972.db2.gz GYFXXSDAOTUHNW-LBPRGKRZSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597924674 398722019 /nfs/dbraw/zinc/72/20/19/398722019.db2.gz JPKNWDBOVQXYHC-GFCCVEGCSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597924997 398722219 /nfs/dbraw/zinc/72/22/19/398722219.db2.gz MBKRQDVALLAKHN-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945555 398725599 /nfs/dbraw/zinc/72/55/99/398725599.db2.gz IAUNVLWSCVTROE-CQSZACIVSA-N 1 1 319.405 2.884 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591140036 398730818 /nfs/dbraw/zinc/73/08/18/398730818.db2.gz OCRDBCFYHWFGRG-TXEJJXNPSA-N 1 1 310.373 2.909 20 5 DFBDMO CCOC(=O)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594050409 398731778 /nfs/dbraw/zinc/73/17/78/398731778.db2.gz GUWBMMIVFNDLEA-UHFFFAOYSA-N 1 1 308.378 2.801 20 5 DFBDMO CC[N@@H+]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)C1 ZINC000591149543 398732441 /nfs/dbraw/zinc/73/24/41/398732441.db2.gz FTQCOMYEHZHZRF-KWQFWETISA-N 1 1 318.299 2.761 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000591149427 398732644 /nfs/dbraw/zinc/73/26/44/398732644.db2.gz ZLVFUQJWZLUTRB-RYUDHWBXSA-N 1 1 308.357 2.582 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000594053114 398732877 /nfs/dbraw/zinc/73/28/77/398732877.db2.gz LTAKKDLDPXFRHT-OAHLLOKOSA-N 1 1 319.405 2.801 20 5 DFBDMO Cc1sc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000047143251 398737935 /nfs/dbraw/zinc/73/79/35/398737935.db2.gz QRBWZYXTSXIKKM-SNVBAGLBSA-N 1 1 311.407 2.569 20 5 DFBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594094192 398742180 /nfs/dbraw/zinc/74/21/80/398742180.db2.gz IGFUXJKYNJUGIK-HUUCEWRRSA-N 1 1 318.377 2.733 20 5 DFBDMO CCc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177196655 198685359 /nfs/dbraw/zinc/68/53/59/198685359.db2.gz WFPVOPHPEPBIOQ-SMDDNHRTSA-N 1 1 317.389 2.512 20 5 DFBDMO CCOc1cc(C[N@@H+](C)CCOCC2CC2)ccc1[N+](=O)[O-] ZINC000276954755 213200452 /nfs/dbraw/zinc/20/04/52/213200452.db2.gz UTIFTAVIPNVQRA-UHFFFAOYSA-N 1 1 308.378 2.852 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000080717897 192186390 /nfs/dbraw/zinc/18/63/90/192186390.db2.gz MJWWWXCBSZUPDY-AGUYFDCRSA-N 1 1 317.389 2.648 20 5 DFBDMO Cc1cc(NCC[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000074742701 398763274 /nfs/dbraw/zinc/76/32/74/398763274.db2.gz ARWKNUZQDMHLQR-UHFFFAOYSA-N 1 1 300.362 2.842 20 5 DFBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000598341845 398796256 /nfs/dbraw/zinc/79/62/56/398796256.db2.gz HBADQPZIDJDRKM-GFCCVEGCSA-N 1 1 317.345 2.555 20 5 DFBDMO CCOc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902519 213164124 /nfs/dbraw/zinc/16/41/24/213164124.db2.gz MAGTUFKWVAETPQ-UKRRQHHQSA-N 1 1 321.421 2.908 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000178528144 198883265 /nfs/dbraw/zinc/88/32/65/198883265.db2.gz RUUUBIOGVJKNNH-ZDUSSCGKSA-N 1 1 306.362 2.758 20 5 DFBDMO CCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)(C)O ZINC000286052375 283292232 /nfs/dbraw/zinc/29/22/32/283292232.db2.gz REUASYQKTXZDAR-UHFFFAOYSA-N 1 1 302.321 2.856 20 5 DFBDMO CCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)(C)O ZINC000286052375 283292233 /nfs/dbraw/zinc/29/22/33/283292233.db2.gz REUASYQKTXZDAR-UHFFFAOYSA-N 1 1 302.321 2.856 20 5 DFBDMO COCCOC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075953764 398829903 /nfs/dbraw/zinc/82/99/03/398829903.db2.gz GHUVNLLVTANVSS-KBPBESRZSA-N 1 1 308.378 2.641 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(C[NH+]2CCCCC2)nn1 ZINC000594652347 398837765 /nfs/dbraw/zinc/83/77/65/398837765.db2.gz KTNGFTPYMCBNTE-UHFFFAOYSA-N 1 1 321.768 2.815 20 5 DFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000594714331 398847505 /nfs/dbraw/zinc/84/75/05/398847505.db2.gz MYGZKZXBSIGIBF-QGZVFWFLSA-N 1 1 323.437 2.506 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC(CC3CC3)C1)OCCO2 ZINC000598678465 398854506 /nfs/dbraw/zinc/85/45/06/398854506.db2.gz PPKJFDXQEBRLPG-UHFFFAOYSA-N 1 1 304.346 2.598 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000076691205 398865125 /nfs/dbraw/zinc/86/51/25/398865125.db2.gz NLPWIEDXIHRPAK-CQSZACIVSA-N 1 1 312.373 2.701 20 5 DFBDMO COc1ccc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594957224 398881303 /nfs/dbraw/zinc/88/13/03/398881303.db2.gz QJPCUUPMSUWLPJ-ZDUSSCGKSA-N 1 1 307.394 2.566 20 5 DFBDMO COc1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594957224 398881307 /nfs/dbraw/zinc/88/13/07/398881307.db2.gz QJPCUUPMSUWLPJ-ZDUSSCGKSA-N 1 1 307.394 2.566 20 5 DFBDMO Cc1ccsc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053781457 398882714 /nfs/dbraw/zinc/88/27/14/398882714.db2.gz KJIHJBDUYPHGML-UHFFFAOYSA-N 1 1 319.386 2.696 20 5 DFBDMO Cc1ccsc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053781457 398882715 /nfs/dbraw/zinc/88/27/15/398882715.db2.gz KJIHJBDUYPHGML-UHFFFAOYSA-N 1 1 319.386 2.696 20 5 DFBDMO CCC[N@@H+](CC)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014258 398891691 /nfs/dbraw/zinc/89/16/91/398891691.db2.gz VQMLVHPJUMOVRJ-CYBMUJFWSA-N 1 1 309.410 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000595011938 398891941 /nfs/dbraw/zinc/89/19/41/398891941.db2.gz DCLWJEBDACQTTM-GHMZBOCLSA-N 1 1 323.393 2.557 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C ZINC000595016290 398892812 /nfs/dbraw/zinc/89/28/12/398892812.db2.gz KBWAVNMPQHGQPP-ABAIWWIYSA-N 1 1 307.394 2.594 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000595021591 398893277 /nfs/dbraw/zinc/89/32/77/398893277.db2.gz PXOKMTKTQYCBJG-ZYHUDNBSSA-N 1 1 316.361 2.535 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000595039862 398895781 /nfs/dbraw/zinc/89/57/81/398895781.db2.gz HALYLZJDMZGFQN-GFCCVEGCSA-N 1 1 307.394 2.738 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000054342370 398896361 /nfs/dbraw/zinc/89/63/61/398896361.db2.gz RAALFBTTZCPYNL-JKSUJKDBSA-N 1 1 306.362 2.617 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000595046537 398897123 /nfs/dbraw/zinc/89/71/23/398897123.db2.gz AIDWWIANQBSRRX-QWHCGFSZSA-N 1 1 309.410 2.983 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000470184115 299293020 /nfs/dbraw/zinc/29/30/20/299293020.db2.gz FUWPIMHYQRXKOF-CTXBLAANSA-N 1 1 317.389 2.728 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186885022 200026780 /nfs/dbraw/zinc/02/67/80/200026780.db2.gz ZXHWDJXTUWWAJB-DOMZBBRYSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186885022 200026782 /nfs/dbraw/zinc/02/67/82/200026782.db2.gz ZXHWDJXTUWWAJB-DOMZBBRYSA-N 1 1 308.378 2.585 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599067183 398916246 /nfs/dbraw/zinc/91/62/46/398916246.db2.gz CYNZHHMFHQGYCQ-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000187830583 200163021 /nfs/dbraw/zinc/16/30/21/200163021.db2.gz FSVBKJUCJUXUOX-BYVOGVQKSA-N 1 1 312.435 2.615 20 5 DFBDMO CCC(F)(F)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599068492 398916622 /nfs/dbraw/zinc/91/66/22/398916622.db2.gz NIMVGPMWLIEZKS-QWRGUYRKSA-N 1 1 302.325 2.910 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000077656660 398916776 /nfs/dbraw/zinc/91/67/76/398916776.db2.gz NDSQSDQAUZBQSD-SNVBAGLBSA-N 1 1 309.395 2.590 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599125688 398925345 /nfs/dbraw/zinc/92/53/45/398925345.db2.gz AHASCIBFGBDQAK-CQSZACIVSA-N 1 1 321.425 2.939 20 5 DFBDMO Cc1c(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000055400903 398929013 /nfs/dbraw/zinc/92/90/13/398929013.db2.gz SHGFGWNYAPBEDQ-QWHCGFSZSA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471797345 299305386 /nfs/dbraw/zinc/30/53/86/299305386.db2.gz HZFYHDZHATWBKP-BXUZGUMPSA-N 1 1 302.330 2.810 20 5 DFBDMO Cc1noc(C[NH+]2CCC(c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000595408693 398933364 /nfs/dbraw/zinc/93/33/64/398933364.db2.gz RWNZKSWNQWYWGE-UHFFFAOYSA-N 1 1 302.334 2.666 20 5 DFBDMO CCc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000471806540 299306399 /nfs/dbraw/zinc/30/63/99/299306399.db2.gz ZCOBAMNHROITIO-CYBMUJFWSA-N 1 1 319.405 2.761 20 5 DFBDMO COc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152700253 398933110 /nfs/dbraw/zinc/93/31/10/398933110.db2.gz ARXPNQLSPWPMPJ-BETUJISGSA-N 1 1 306.362 2.714 20 5 DFBDMO CC(=O)c1[nH]c(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1C ZINC000595413383 398934473 /nfs/dbraw/zinc/93/44/73/398934473.db2.gz AAQFYKMLTGIFON-SNVBAGLBSA-N 1 1 316.361 2.722 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000595487681 398948472 /nfs/dbraw/zinc/94/84/72/398948472.db2.gz HVGJDBTWNANPPT-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000595487681 398948473 /nfs/dbraw/zinc/94/84/73/398948473.db2.gz HVGJDBTWNANPPT-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506726 398953352 /nfs/dbraw/zinc/95/33/52/398953352.db2.gz GZPVCETUQXJNRM-KRWDZBQOSA-N 1 1 319.405 2.521 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000595537723 398959131 /nfs/dbraw/zinc/95/91/31/398959131.db2.gz GFDDBDMUJVIYHP-HIFRSBDPSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000595537723 398959134 /nfs/dbraw/zinc/95/91/34/398959134.db2.gz GFDDBDMUJVIYHP-HIFRSBDPSA-N 1 1 306.337 2.735 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000078563202 398967755 /nfs/dbraw/zinc/96/77/55/398967755.db2.gz ZHOSTIXJOJERFD-AWEZNQCLSA-N 1 1 319.405 2.966 20 5 DFBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000056494883 398975004 /nfs/dbraw/zinc/97/50/04/398975004.db2.gz UTYKNXGBAVEVOB-CQSZACIVSA-N 1 1 308.378 2.722 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566164 398974811 /nfs/dbraw/zinc/97/48/11/398974811.db2.gz LWTAXSIGJRVBDM-OBJOEFQTSA-N 1 1 303.362 2.796 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566164 398974816 /nfs/dbraw/zinc/97/48/16/398974816.db2.gz LWTAXSIGJRVBDM-OBJOEFQTSA-N 1 1 303.362 2.796 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595567565 398976410 /nfs/dbraw/zinc/97/64/10/398976410.db2.gz SUUSABHUARKBIA-WFASDCNBSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595567565 398976414 /nfs/dbraw/zinc/97/64/14/398976414.db2.gz SUUSABHUARKBIA-WFASDCNBSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000600180682 398991408 /nfs/dbraw/zinc/99/14/08/398991408.db2.gz GQMPIWZJBMAUGQ-QGZVFWFLSA-N 1 1 316.357 2.606 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600207618 399006028 /nfs/dbraw/zinc/00/60/28/399006028.db2.gz MKVSYXDCVLFMLS-BEHNTXIPSA-N 1 1 320.414 2.593 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600207618 399006033 /nfs/dbraw/zinc/00/60/33/399006033.db2.gz MKVSYXDCVLFMLS-BEHNTXIPSA-N 1 1 320.414 2.593 20 5 DFBDMO COC[C@]1(C)C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600217279 399010403 /nfs/dbraw/zinc/01/04/03/399010403.db2.gz HAXWBNCUKNNVTL-ZGUWOUCSSA-N 1 1 320.389 2.735 20 5 DFBDMO COC[C@]1(C)C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600217279 399010409 /nfs/dbraw/zinc/01/04/09/399010409.db2.gz HAXWBNCUKNNVTL-ZGUWOUCSSA-N 1 1 320.389 2.735 20 5 DFBDMO O=C(C[NH+](C1CC1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599599448 399027129 /nfs/dbraw/zinc/02/71/29/399027129.db2.gz KGPJSYRZVWPBFJ-UHFFFAOYSA-N 1 1 309.753 2.814 20 5 DFBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000595678649 399030864 /nfs/dbraw/zinc/03/08/64/399030864.db2.gz SEBVXQMXZMAMKS-GXTWGEPZSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000595677637 399030490 /nfs/dbraw/zinc/03/04/90/399030490.db2.gz PPHDDYUVQLHTHU-DZGCQCFKSA-N 1 1 322.405 2.976 20 5 DFBDMO C[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1CCO ZINC000595695440 399039692 /nfs/dbraw/zinc/03/96/92/399039692.db2.gz HSHIKFRXJJLPGN-BMIGLBTASA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1CCO ZINC000595695440 399039699 /nfs/dbraw/zinc/03/96/99/399039699.db2.gz HSHIKFRXJJLPGN-BMIGLBTASA-N 1 1 314.332 2.856 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000599656172 399048525 /nfs/dbraw/zinc/04/85/25/399048525.db2.gz ZZGYDZOFNVKHEA-ARFHVFGLSA-N 1 1 318.373 2.758 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748638 399068483 /nfs/dbraw/zinc/06/84/83/399068483.db2.gz BQHITEVLNISHIR-KRWDZBQOSA-N 1 1 320.389 2.730 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595748599 399069388 /nfs/dbraw/zinc/06/93/88/399069388.db2.gz AQNSGFUYFMNIIQ-OAHLLOKOSA-N 1 1 310.781 2.985 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595748599 399069390 /nfs/dbraw/zinc/06/93/90/399069390.db2.gz AQNSGFUYFMNIIQ-OAHLLOKOSA-N 1 1 310.781 2.985 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595756767 399071766 /nfs/dbraw/zinc/07/17/66/399071766.db2.gz WPTHSMPRSRPVJQ-OLZOCXBDSA-N 1 1 323.368 2.993 20 5 DFBDMO C[N@H+](CCOC(C)(C)C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618285827 399072836 /nfs/dbraw/zinc/07/28/36/399072836.db2.gz GJAIRNCCPUQZRQ-UHFFFAOYSA-N 1 1 306.366 2.718 20 5 DFBDMO C[N@@H+](CCOC(C)(C)C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618285827 399072839 /nfs/dbraw/zinc/07/28/39/399072839.db2.gz GJAIRNCCPUQZRQ-UHFFFAOYSA-N 1 1 306.366 2.718 20 5 DFBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595766278 399076169 /nfs/dbraw/zinc/07/61/69/399076169.db2.gz NUSDDROMQTXVKC-XHDPSFHLSA-N 1 1 317.345 2.595 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000595766310 399076927 /nfs/dbraw/zinc/07/69/27/399076927.db2.gz DHHHGNZCFGXSBM-UHFFFAOYSA-N 1 1 318.352 2.843 20 5 DFBDMO CO[C@H](CC(C)C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000419225093 296128941 /nfs/dbraw/zinc/12/89/41/296128941.db2.gz OQIVYBVDJQSBFT-UKRRQHHQSA-N 1 1 322.409 2.537 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595826971 399101199 /nfs/dbraw/zinc/10/11/99/399101199.db2.gz BNPRAPDDWDWBJC-UKRRQHHQSA-N 1 1 320.389 2.850 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595830179 399102748 /nfs/dbraw/zinc/10/27/48/399102748.db2.gz CZCSEPNFIFDGAD-KGLIPLIRSA-N 1 1 317.389 2.600 20 5 DFBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419370470 296137165 /nfs/dbraw/zinc/13/71/65/296137165.db2.gz JPLFIUTYXQQIOR-FRRDWIJNSA-N 1 1 305.378 2.900 20 5 DFBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1O ZINC000339100355 284137063 /nfs/dbraw/zinc/13/70/63/284137063.db2.gz XIEHVQJEVTXNFL-NOZJJQNGSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1O ZINC000339100355 284137065 /nfs/dbraw/zinc/13/70/65/284137065.db2.gz XIEHVQJEVTXNFL-NOZJJQNGSA-N 1 1 318.295 2.816 20 5 DFBDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595867730 399118126 /nfs/dbraw/zinc/11/81/26/399118126.db2.gz PLCPYAQXAGWNLK-RRFJBIMHSA-N 1 1 322.405 2.988 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340201158 284160422 /nfs/dbraw/zinc/16/04/22/284160422.db2.gz JGENFKHFPHYYCB-CHWSQXEVSA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340201158 284160425 /nfs/dbraw/zinc/16/04/25/284160425.db2.gz JGENFKHFPHYYCB-CHWSQXEVSA-N 1 1 318.295 2.873 20 5 DFBDMO CCc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534424 193266819 /nfs/dbraw/zinc/26/68/19/193266819.db2.gz NJLBMLFCMFSJBL-GFCCVEGCSA-N 1 1 316.361 2.832 20 5 DFBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000060394749 399127664 /nfs/dbraw/zinc/12/76/64/399127664.db2.gz ISABKEIAPYLNDL-UHFFFAOYSA-N 1 1 319.405 2.787 20 5 DFBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CC1(C)C ZINC000595910882 399131897 /nfs/dbraw/zinc/13/18/97/399131897.db2.gz CVBYFDLSDBTCHE-ZDUSSCGKSA-N 1 1 306.362 2.939 20 5 DFBDMO CC12CC(C1)C[N@@H+]2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595914565 399133830 /nfs/dbraw/zinc/13/38/30/399133830.db2.gz CHJDYYCKZAXBLC-UHFFFAOYSA-N 1 1 300.318 2.629 20 5 DFBDMO CC12CC(C1)C[N@H+]2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595914565 399133834 /nfs/dbraw/zinc/13/38/34/399133834.db2.gz CHJDYYCKZAXBLC-UHFFFAOYSA-N 1 1 300.318 2.629 20 5 DFBDMO CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271712379 209149189 /nfs/dbraw/zinc/14/91/89/209149189.db2.gz JFAUQIFDXHSNCH-ZDUSSCGKSA-N 1 1 307.394 2.894 20 5 DFBDMO COC1CC[NH+](C(C)(C)CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000341228734 284252923 /nfs/dbraw/zinc/25/29/23/284252923.db2.gz KYQGXYNQDXSHSF-UHFFFAOYSA-N 1 1 321.421 2.574 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000264645953 204051032 /nfs/dbraw/zinc/05/10/32/204051032.db2.gz AHAPXVRLYINDAF-CQSZACIVSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1cc(NC[C@@H]2CC[NH2+]CC2(F)F)c(F)cc1[N+](=O)[O-] ZINC000420271502 296167898 /nfs/dbraw/zinc/16/78/98/296167898.db2.gz CSMDXXLHTHWZLJ-VIFPVBQESA-N 1 1 303.284 2.699 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000264794007 204160322 /nfs/dbraw/zinc/16/03/22/204160322.db2.gz SLKBJWNKPNIJOQ-AWEZNQCLSA-N 1 1 305.378 2.507 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2CC[NH2+]CC2(F)F)c(F)c1 ZINC000420283922 296169131 /nfs/dbraw/zinc/16/91/31/296169131.db2.gz OKOKWLBLOHGECI-SSDOTTSWSA-N 1 1 307.247 2.530 20 5 DFBDMO Cc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c([N+](=O)[O-])s1 ZINC000596059052 399158686 /nfs/dbraw/zinc/15/86/86/399158686.db2.gz MFQSGKMPBCKDPJ-LBPRGKRZSA-N 1 1 313.423 2.733 20 5 DFBDMO C[N@@H+](CCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596071593 399163265 /nfs/dbraw/zinc/16/32/65/399163265.db2.gz SJVKWGNLJWUCPU-UHFFFAOYSA-N 1 1 308.382 2.762 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000288209497 220019201 /nfs/dbraw/zinc/01/92/01/220019201.db2.gz CZWALYXYQJBZTJ-SNVBAGLBSA-N 1 1 321.406 2.520 20 5 DFBDMO Cc1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000080648475 399166032 /nfs/dbraw/zinc/16/60/32/399166032.db2.gz RHMWNXHUHIZKQE-RRFJBIMHSA-N 1 1 301.390 2.824 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCC[C@H]2CO)c1 ZINC000293430210 223536754 /nfs/dbraw/zinc/53/67/54/223536754.db2.gz JGAMNKVGXZFJMD-LBPRGKRZSA-N 1 1 318.295 2.960 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000293430210 223536757 /nfs/dbraw/zinc/53/67/57/223536757.db2.gz JGAMNKVGXZFJMD-LBPRGKRZSA-N 1 1 318.295 2.960 20 5 DFBDMO C[C@@H](CCNc1c([N+](=O)[O-])ncn1C)[N@@H+](C)Cc1ccccc1 ZINC000080694262 399170681 /nfs/dbraw/zinc/17/06/81/399170681.db2.gz QWDIJDKXIFOFOF-ZDUSSCGKSA-N 1 1 317.393 2.651 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596094808 399170743 /nfs/dbraw/zinc/17/07/43/399170743.db2.gz MISZOLIGZBSFNO-NSHDSACASA-N 1 1 312.801 2.597 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596093743 399171131 /nfs/dbraw/zinc/17/11/31/399171131.db2.gz FXCOTKBDTBAEMD-UHFFFAOYSA-N 1 1 312.801 2.954 20 5 DFBDMO CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@H]1CCC[N@@H+](C)C1 ZINC000266000036 205014583 /nfs/dbraw/zinc/01/45/83/205014583.db2.gz KLLMZYMZBDURDT-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+]1CC ZINC000614236489 399185367 /nfs/dbraw/zinc/18/53/67/399185367.db2.gz WCWDSGNCCKDTCB-MRXNPFEDSA-N 1 1 321.421 2.780 20 5 DFBDMO CCN1CCC[C@@H]1C[N@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC000614236489 399185375 /nfs/dbraw/zinc/18/53/75/399185375.db2.gz WCWDSGNCCKDTCB-MRXNPFEDSA-N 1 1 321.421 2.780 20 5 DFBDMO CCN1CCC[C@@H]1C[N@@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC000614236489 399185381 /nfs/dbraw/zinc/18/53/81/399185381.db2.gz WCWDSGNCCKDTCB-MRXNPFEDSA-N 1 1 321.421 2.780 20 5 DFBDMO C[C@H]([NH2+]CC(=O)NCCC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000271689468 209128230 /nfs/dbraw/zinc/12/82/30/209128230.db2.gz DZMOVZBMXLQAFW-LBPRGKRZSA-N 1 1 307.394 2.798 20 5 DFBDMO COc1cc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266142099 205132330 /nfs/dbraw/zinc/13/23/30/205132330.db2.gz RAVRJWNISAUKNC-BETUJISGSA-N 1 1 323.393 2.515 20 5 DFBDMO CN(C[C@@H]1CCC[N@H+]1C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000420636578 296194719 /nfs/dbraw/zinc/19/47/19/296194719.db2.gz NTADKPNQLDPBBQ-ZDUSSCGKSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282975126 217362189 /nfs/dbraw/zinc/36/21/89/217362189.db2.gz DCPKBPWBEPJVMK-GFCCVEGCSA-N 1 1 324.352 2.898 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282975126 217362193 /nfs/dbraw/zinc/36/21/93/217362193.db2.gz DCPKBPWBEPJVMK-GFCCVEGCSA-N 1 1 324.352 2.898 20 5 DFBDMO O=[N+]([O-])c1ccc2nccc(N3CC[N@H+]4CCCC[C@@H]4C3)c2c1 ZINC000601103563 399227446 /nfs/dbraw/zinc/22/74/46/399227446.db2.gz DSKKEILNAYQUMT-CQSZACIVSA-N 1 1 312.373 2.818 20 5 DFBDMO CC(C)(CO)CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601119101 399232447 /nfs/dbraw/zinc/23/24/47/399232447.db2.gz MPQPOZGZXJFQKB-UHFFFAOYSA-N 1 1 303.362 2.776 20 5 DFBDMO C[C@@H]1C[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601137427 399238530 /nfs/dbraw/zinc/23/85/30/399238530.db2.gz XRCFNVLHNZLRBR-NEPJUHHUSA-N 1 1 301.346 2.792 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601170957 399247073 /nfs/dbraw/zinc/24/70/73/399247073.db2.gz XGMLZDDLVRMNDI-LBPRGKRZSA-N 1 1 323.368 2.728 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCCC(F)(F)[C@@H]3O)c2c1 ZINC000601176375 399248385 /nfs/dbraw/zinc/24/83/85/399248385.db2.gz OUTIDYPVJFQERH-UONOGXRCSA-N 1 1 323.299 2.526 20 5 DFBDMO COCC1(CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601181953 399249886 /nfs/dbraw/zinc/24/98/86/399249886.db2.gz PRPBVEBHBJQFHB-UHFFFAOYSA-N 1 1 301.346 2.794 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)c2c(c1)COCO2 ZINC000614600509 399251554 /nfs/dbraw/zinc/25/15/54/399251554.db2.gz LAPCLXGGOJTKPA-ABAIWWIYSA-N 1 1 304.346 2.836 20 5 DFBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000421022349 296226974 /nfs/dbraw/zinc/22/69/74/296226974.db2.gz OYIMHKJUAKRIAU-BXKDBHETSA-N 1 1 318.295 2.959 20 5 DFBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000421022349 296226975 /nfs/dbraw/zinc/22/69/75/296226975.db2.gz OYIMHKJUAKRIAU-BXKDBHETSA-N 1 1 318.295 2.959 20 5 DFBDMO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000421022352 296227137 /nfs/dbraw/zinc/22/71/37/296227137.db2.gz OYIMHKJUAKRIAU-CABZTGNLSA-N 1 1 318.295 2.959 20 5 DFBDMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000421022352 296227138 /nfs/dbraw/zinc/22/71/38/296227138.db2.gz OYIMHKJUAKRIAU-CABZTGNLSA-N 1 1 318.295 2.959 20 5 DFBDMO CC[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000601229116 399259879 /nfs/dbraw/zinc/25/98/79/399259879.db2.gz GDSUTQHFQDKRQR-NSHDSACASA-N 1 1 324.356 2.682 20 5 DFBDMO CC[C@@H]1[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000601289873 399271185 /nfs/dbraw/zinc/27/11/85/399271185.db2.gz VMRKXBQPMBXFHE-LSDHHAIUSA-N 1 1 319.405 2.676 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000421560311 296265760 /nfs/dbraw/zinc/26/57/60/296265760.db2.gz VPELOWZMDGVRTG-UHFFFAOYSA-N 1 1 319.405 2.816 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000609157293 399307125 /nfs/dbraw/zinc/30/71/25/399307125.db2.gz BJIMWVQNTUKKJU-HNNXBMFYSA-N 1 1 300.362 2.937 20 5 DFBDMO Cc1c(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000619186435 399309660 /nfs/dbraw/zinc/30/96/60/399309660.db2.gz OWRNEKYYZFPVDO-UHFFFAOYSA-N 1 1 318.377 2.538 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609257699 399310900 /nfs/dbraw/zinc/31/09/00/399310900.db2.gz CLPNZYGCCNLFKR-LBPRGKRZSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609257699 399310901 /nfs/dbraw/zinc/31/09/01/399310901.db2.gz CLPNZYGCCNLFKR-LBPRGKRZSA-N 1 1 304.325 2.768 20 5 DFBDMO C[C@@H](c1ccncc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000609487558 399320288 /nfs/dbraw/zinc/32/02/88/399320288.db2.gz QVNHGXOLWYMSEX-AWEZNQCLSA-N 1 1 312.373 2.873 20 5 DFBDMO CCCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104673750 194023477 /nfs/dbraw/zinc/02/34/77/194023477.db2.gz WNVGGQTZTKVRCA-UHFFFAOYSA-N 1 1 310.394 2.976 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000104687426 194025997 /nfs/dbraw/zinc/02/59/97/194025997.db2.gz JLQSZWOFSYPZNJ-LLVKDONJSA-N 1 1 309.366 2.662 20 5 DFBDMO COC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC(C)(C)O1 ZINC000284569590 218082516 /nfs/dbraw/zinc/08/25/16/218082516.db2.gz OFSAVOXGJFYRMH-HNNXBMFYSA-N 1 1 308.378 2.529 20 5 DFBDMO COC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC(C)(C)O1 ZINC000284569590 218082520 /nfs/dbraw/zinc/08/25/20/218082520.db2.gz OFSAVOXGJFYRMH-HNNXBMFYSA-N 1 1 308.378 2.529 20 5 DFBDMO Cc1cnc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000610283883 399353904 /nfs/dbraw/zinc/35/39/04/399353904.db2.gz DRWFMYBLSBCUHF-STQMWFEESA-N 1 1 322.409 2.598 20 5 DFBDMO Cc1ccc(NC(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000105293834 194094882 /nfs/dbraw/zinc/09/48/82/194094882.db2.gz DKKKTFIHMRUXAN-UHFFFAOYSA-N 1 1 320.393 2.899 20 5 DFBDMO CC[N@H+]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000288578597 220256420 /nfs/dbraw/zinc/25/64/20/220256420.db2.gz UYWDXKTYCIWAMA-CMPYXILNSA-N 1 1 317.389 2.551 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(Cn3cccn3)CC2)cs1 ZINC000105887120 194157715 /nfs/dbraw/zinc/15/77/15/194157715.db2.gz JIDKUCYVIIYQNA-UHFFFAOYSA-N 1 1 306.391 2.765 20 5 DFBDMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000105899904 194163851 /nfs/dbraw/zinc/16/38/51/194163851.db2.gz GHOYCXISSSFYLF-INIZCTEOSA-N 1 1 300.362 2.937 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000610585367 399384006 /nfs/dbraw/zinc/38/40/06/399384006.db2.gz MGNZEPODWQQQIC-SWLSCSKDSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585364 399383700 /nfs/dbraw/zinc/38/37/00/399383700.db2.gz MFVMSEVBBFJXSS-WFASDCNBSA-N 1 1 303.362 2.716 20 5 DFBDMO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C[NH3+] ZINC000602022240 399386212 /nfs/dbraw/zinc/38/62/12/399386212.db2.gz SBUIBHINYGYJQP-STQMWFEESA-N 1 1 315.373 2.881 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285249482 218351227 /nfs/dbraw/zinc/35/12/27/218351227.db2.gz CHMSLMHEZYSCHH-HZPDHXFCSA-N 1 1 316.361 2.579 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285249482 218351228 /nfs/dbraw/zinc/35/12/28/218351228.db2.gz CHMSLMHEZYSCHH-HZPDHXFCSA-N 1 1 316.361 2.579 20 5 DFBDMO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285248617 218351488 /nfs/dbraw/zinc/35/14/88/218351488.db2.gz HAPMCJCLELRYHB-KGLIPLIRSA-N 1 1 321.421 2.762 20 5 DFBDMO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285248617 218351491 /nfs/dbraw/zinc/35/14/91/218351491.db2.gz HAPMCJCLELRYHB-KGLIPLIRSA-N 1 1 321.421 2.762 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000615838929 399388215 /nfs/dbraw/zinc/38/82/15/399388215.db2.gz XXTRRGNDFPEZQI-ROCHPLJESA-N 1 1 313.361 2.537 20 5 DFBDMO C[N@@H+](CCO[C@H]1CCCCO1)CCc1ccccc1[N+](=O)[O-] ZINC000285361215 218398239 /nfs/dbraw/zinc/39/82/39/218398239.db2.gz QGTZZRSOLDGLNU-INIZCTEOSA-N 1 1 308.378 2.612 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000109756275 194282796 /nfs/dbraw/zinc/28/27/96/194282796.db2.gz WGPFNDKRQNOQLZ-OLZOCXBDSA-N 1 1 318.295 2.791 20 5 DFBDMO CCCN1CCC([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109786148 194284841 /nfs/dbraw/zinc/28/48/41/194284841.db2.gz OOFIYTCYCHICQW-UHFFFAOYSA-N 1 1 321.421 2.780 20 5 DFBDMO CCCN1CCC([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109786148 194284843 /nfs/dbraw/zinc/28/48/43/194284843.db2.gz OOFIYTCYCHICQW-UHFFFAOYSA-N 1 1 321.421 2.780 20 5 DFBDMO C[C@H]([NH2+]Cc1cn2c(n1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000268855653 207022962 /nfs/dbraw/zinc/02/29/62/207022962.db2.gz QGDPFGRANMKQCL-LBPRGKRZSA-N 1 1 300.362 2.978 20 5 DFBDMO CCc1nn(C)cc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619846227 399395792 /nfs/dbraw/zinc/39/57/92/399395792.db2.gz NCYNWCLAKHJDPG-UHFFFAOYSA-N 1 1 302.378 2.565 20 5 DFBDMO CC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602115196 399397562 /nfs/dbraw/zinc/39/75/62/399397562.db2.gz GUYPUEIUHQIWLR-WFASDCNBSA-N 1 1 305.378 2.504 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000110992386 194378626 /nfs/dbraw/zinc/37/86/26/194378626.db2.gz YUZDAZCZTSOERB-CQSZACIVSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[N@@H+](CCc1nccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000159313225 197345232 /nfs/dbraw/zinc/34/52/32/197345232.db2.gz GLGRZZUMVVFMES-AWEZNQCLSA-N 1 1 321.402 2.649 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOC(C)(C)C ZINC000610859777 399413066 /nfs/dbraw/zinc/41/30/66/399413066.db2.gz MDVGAAOEZRNMOG-GFCCVEGCSA-N 1 1 323.393 2.669 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOC(C)(C)C ZINC000610859777 399413067 /nfs/dbraw/zinc/41/30/67/399413067.db2.gz MDVGAAOEZRNMOG-GFCCVEGCSA-N 1 1 323.393 2.669 20 5 DFBDMO Cc1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000058065170 184072856 /nfs/dbraw/zinc/07/28/56/184072856.db2.gz IMQRIHPSXMZMPU-UHFFFAOYSA-N 1 1 300.314 2.922 20 5 DFBDMO C[C@@H]1C[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000269011845 207162568 /nfs/dbraw/zinc/16/25/68/207162568.db2.gz AFAIGFYDDPLWOU-OKILXGFUSA-N 1 1 307.394 2.896 20 5 DFBDMO CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000611092463 399433555 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324.402 2.636 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000246062773 146117959 /nfs/dbraw/zinc/11/79/59/146117959.db2.gz YMYHFNNCTHKCHK-JHJVBQTASA-N 1 1 305.378 2.900 20 5 DFBDMO Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246194989 146128269 /nfs/dbraw/zinc/12/82/69/146128269.db2.gz LLZYSDMWHPURHL-JKSUJKDBSA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247369644 146168128 /nfs/dbraw/zinc/16/81/28/146168128.db2.gz RSMXOQCOUYPMIS-OCCSQVGLSA-N 1 1 318.377 2.604 20 5 DFBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000248905032 146176502 /nfs/dbraw/zinc/17/65/02/146176502.db2.gz XYRGXMFEDXFOCX-QWHCGFSZSA-N 1 1 320.393 2.837 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000262443499 146359716 /nfs/dbraw/zinc/35/97/16/146359716.db2.gz HDBIRYWHIXGRCM-MRXNPFEDSA-N 1 1 307.369 2.698 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357668514 148078575 /nfs/dbraw/zinc/07/85/75/148078575.db2.gz VYXDZOYYMMSAFJ-RYUDHWBXSA-N 1 1 306.366 2.507 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000357736898 148102109 /nfs/dbraw/zinc/10/21/09/148102109.db2.gz CMVILNJNMVRSDT-YCPHGPKFSA-N 1 1 322.405 2.845 20 5 DFBDMO COc1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000358026498 148217599 /nfs/dbraw/zinc/21/75/99/148217599.db2.gz QITLSYOTZWFKHI-ZDUSSCGKSA-N 1 1 318.304 2.966 20 5 DFBDMO C[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000358170647 148270105 /nfs/dbraw/zinc/27/01/05/148270105.db2.gz FDNCIJHNOLFASB-GDBMZVCRSA-N 1 1 305.422 2.990 20 5 DFBDMO CCc1cnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000425962589 296606365 /nfs/dbraw/zinc/60/63/65/296606365.db2.gz YWESJOPDKCJYPT-UHFFFAOYSA-N 1 1 321.406 2.647 20 5 DFBDMO CC[N@@H+](CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000360127685 148820975 /nfs/dbraw/zinc/82/09/75/148820975.db2.gz LGJPKEHSTDXFBB-UHFFFAOYSA-N 1 1 309.366 2.524 20 5 DFBDMO Cc1ccncc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000361415106 149109671 /nfs/dbraw/zinc/10/96/71/149109671.db2.gz XQCIBRNSRHKYTF-UHFFFAOYSA-N 1 1 301.346 2.809 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CC2CC2)C2CCC2)c1 ZINC000361587382 149157844 /nfs/dbraw/zinc/15/78/44/149157844.db2.gz VTKNNPMMACVOQE-MRXNPFEDSA-N 1 1 320.389 2.599 20 5 DFBDMO CC1=C(C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000361619528 149170740 /nfs/dbraw/zinc/17/07/40/149170740.db2.gz MYHQKXASUIYSQO-INIZCTEOSA-N 1 1 315.373 2.742 20 5 DFBDMO CC1=C(C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000361619528 149170741 /nfs/dbraw/zinc/17/07/41/149170741.db2.gz MYHQKXASUIYSQO-INIZCTEOSA-N 1 1 315.373 2.742 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000362819582 149372847 /nfs/dbraw/zinc/37/28/47/149372847.db2.gz ZDCJVYFSWMWAAP-UHFFFAOYSA-N 1 1 300.318 2.617 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351220309 286116605 /nfs/dbraw/zinc/11/66/05/286116605.db2.gz WJSAGTWUZNEUMU-JTQLQIEISA-N 1 1 312.345 2.584 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000351327462 286121481 /nfs/dbraw/zinc/12/14/81/286121481.db2.gz LTEHUKLEFDLXKK-ZOWXZIJZSA-N 1 1 303.362 2.715 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000351327462 286121483 /nfs/dbraw/zinc/12/14/83/286121483.db2.gz LTEHUKLEFDLXKK-ZOWXZIJZSA-N 1 1 303.362 2.715 20 5 DFBDMO COc1cc(NC[C@@H]2CCCn3cc[nH+]c32)c(F)cc1[N+](=O)[O-] ZINC000351479942 286131041 /nfs/dbraw/zinc/13/10/41/286131041.db2.gz OAXQKJWKXXLUKV-JTQLQIEISA-N 1 1 320.324 2.929 20 5 DFBDMO O=C(C[N@@H+]1CC[C@H](C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371334274 150025818 /nfs/dbraw/zinc/02/58/18/150025818.db2.gz GFZDETDRXNFUGL-NSHDSACASA-N 1 1 323.780 2.919 20 5 DFBDMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000371334274 150025821 /nfs/dbraw/zinc/02/58/21/150025821.db2.gz GFZDETDRXNFUGL-NSHDSACASA-N 1 1 323.780 2.919 20 5 DFBDMO O=C(CC[N@H+]1CCC[C@@H]1C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372899927 150199642 /nfs/dbraw/zinc/19/96/42/150199642.db2.gz MDILXWOEKDNLGZ-OAHLLOKOSA-N 1 1 321.352 2.937 20 5 DFBDMO Cc1cc(N(C)C[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000373049232 150221883 /nfs/dbraw/zinc/22/18/83/150221883.db2.gz YTOALNXWKNYPIU-ZDUSSCGKSA-N 1 1 300.362 2.799 20 5 DFBDMO Cc1c([C@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)cccc1[N+](=O)[O-] ZINC000374469073 150371514 /nfs/dbraw/zinc/37/15/14/150371514.db2.gz NDONZYZJMOGBPK-WCQYABFASA-N 1 1 300.362 2.834 20 5 DFBDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374524427 150373249 /nfs/dbraw/zinc/37/32/49/150373249.db2.gz WCJBGGMXYSJTSW-ZDUSSCGKSA-N 1 1 318.352 2.847 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000352386849 286360366 /nfs/dbraw/zinc/36/03/66/286360366.db2.gz IHEGVPXWSNVTJO-UHFFFAOYSA-N 1 1 319.361 2.803 20 5 DFBDMO Cc1cnn([C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000352415163 286367768 /nfs/dbraw/zinc/36/77/68/286367768.db2.gz MOFXXISYSILIMH-LBPRGKRZSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC000352415163 286367770 /nfs/dbraw/zinc/36/77/70/286367770.db2.gz MOFXXISYSILIMH-LBPRGKRZSA-N 1 1 304.325 2.686 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3cc[nH]c3n2)c(F)c1 ZINC000353229708 286585076 /nfs/dbraw/zinc/58/50/76/286585076.db2.gz RRXHPRODGBZQKB-UHFFFAOYSA-N 1 1 300.293 2.900 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000182076368 158000473 /nfs/dbraw/zinc/00/04/73/158000473.db2.gz GKCSNLSTQOMNRW-HZPDHXFCSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000183481923 158019787 /nfs/dbraw/zinc/01/97/87/158019787.db2.gz CTEJOJNYDDOZIW-OAHLLOKOSA-N 1 1 314.389 2.898 20 5 DFBDMO COC(=O)[C@@H](C)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000184717520 158037487 /nfs/dbraw/zinc/03/74/87/158037487.db2.gz TXIKVVDJEQNLAJ-IYNGYCSASA-N 1 1 318.373 2.882 20 5 DFBDMO CC(C)c1ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000187839569 158073676 /nfs/dbraw/zinc/07/36/76/158073676.db2.gz KCGLYCOECDXTRK-GTJPDFRWSA-N 1 1 312.435 2.917 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000187839569 158073678 /nfs/dbraw/zinc/07/36/78/158073678.db2.gz KCGLYCOECDXTRK-GTJPDFRWSA-N 1 1 312.435 2.917 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000247225329 158123264 /nfs/dbraw/zinc/12/32/64/158123264.db2.gz XESWIEDZDWTJCG-MFKMUULPSA-N 1 1 323.780 2.557 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248177166 158164002 /nfs/dbraw/zinc/16/40/02/158164002.db2.gz VTJPNLIZZDOSQQ-WMLDXEAASA-N 1 1 320.389 2.601 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357029439 158351482 /nfs/dbraw/zinc/35/14/82/158351482.db2.gz DAFGREWNZBROGC-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000358294525 158369115 /nfs/dbraw/zinc/36/91/15/158369115.db2.gz AATSGOYIKBTGAK-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000246931558 287229679 /nfs/dbraw/zinc/22/96/79/287229679.db2.gz JYIHQIJFQVVNAM-KGLIPLIRSA-N 1 1 317.389 2.602 20 5 DFBDMO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271630584 209074358 /nfs/dbraw/zinc/07/43/58/209074358.db2.gz OWUVBHGNCFGMFY-OLZOCXBDSA-N 1 1 307.394 2.940 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])cc1OC ZINC000130551207 196089462 /nfs/dbraw/zinc/08/94/62/196089462.db2.gz RZUSNNXWUJOHRO-NSHDSACASA-N 1 1 312.391 2.549 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054129365 425889504 /nfs/dbraw/zinc/88/95/04/425889504.db2.gz IRSISNONCMMTDV-LBPRGKRZSA-N 1 1 323.368 2.728 20 5 DFBDMO Cc1c(C[N@@H+](C)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000297369573 227076390 /nfs/dbraw/zinc/07/63/90/227076390.db2.gz HLHQSVJIJXSVMW-UHFFFAOYSA-N 1 1 323.393 2.860 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000291049846 222098716 /nfs/dbraw/zinc/09/87/16/222098716.db2.gz VLIBXEKZMUCUCX-CYBMUJFWSA-N 1 1 321.421 2.682 20 5 DFBDMO Cc1cc(CNc2ccc([N+](=O)[O-])cn2)cc(N2CCCC2)[nH+]1 ZINC000291203139 222219615 /nfs/dbraw/zinc/21/96/15/222219615.db2.gz UOPAROBIAPJOFZ-UHFFFAOYSA-N 1 1 313.361 2.906 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000299223415 229002553 /nfs/dbraw/zinc/00/25/53/229002553.db2.gz AWZAAIIRUTUMJP-UHFFFAOYSA-N 1 1 318.402 2.764 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000299223415 229002556 /nfs/dbraw/zinc/00/25/56/229002556.db2.gz AWZAAIIRUTUMJP-UHFFFAOYSA-N 1 1 318.402 2.764 20 5 DFBDMO Cc1cc(N(C)CC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301765785 229880262 /nfs/dbraw/zinc/88/02/62/229880262.db2.gz GXBHJIIPZIBRKL-UHFFFAOYSA-N 1 1 321.421 2.698 20 5 DFBDMO Cc1ccc(CNc2ncccc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000302051197 230065205 /nfs/dbraw/zinc/06/52/05/230065205.db2.gz NYSWQBHDPLEXHY-UHFFFAOYSA-N 1 1 313.361 2.906 20 5 DFBDMO C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000302073073 230078847 /nfs/dbraw/zinc/07/88/47/230078847.db2.gz WONMNNXZCJDILH-QWHCGFSZSA-N 1 1 307.394 2.619 20 5 DFBDMO Cc1ncsc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000066562657 425905236 /nfs/dbraw/zinc/90/52/36/425905236.db2.gz GAFCDSOKFVXTGQ-UHFFFAOYSA-N 1 1 307.375 2.871 20 5 DFBDMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000066407290 425904060 /nfs/dbraw/zinc/90/40/60/425904060.db2.gz COTXDLMIEYOPBY-GXTWGEPZSA-N 1 1 306.362 2.931 20 5 DFBDMO CC(C)[C@@H](C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458385 425910910 /nfs/dbraw/zinc/91/09/10/425910910.db2.gz GVIVYQSHBOOHEC-CQSZACIVSA-N 1 1 321.421 2.966 20 5 DFBDMO CC(C)[C@@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458385 425910911 /nfs/dbraw/zinc/91/09/11/425910911.db2.gz GVIVYQSHBOOHEC-CQSZACIVSA-N 1 1 321.421 2.966 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000007377995 425642819 /nfs/dbraw/zinc/64/28/19/425642819.db2.gz MNJMULMXHMJDJC-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO CCOC(=O)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000033394675 425842001 /nfs/dbraw/zinc/84/20/01/425842001.db2.gz BLLGMVCBKXJMCR-GTBONMDNSA-N 1 1 318.373 2.883 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)cs1 ZINC000037562551 425848542 /nfs/dbraw/zinc/84/85/42/425848542.db2.gz ZUZWBEHXNMCXOT-UHFFFAOYSA-N 1 1 306.343 2.717 20 5 DFBDMO C[N@H+]1CC[C@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000037647810 425849061 /nfs/dbraw/zinc/84/90/61/425849061.db2.gz HEWRIKWKJDRCCY-SECBINFHSA-N 1 1 303.284 2.977 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000194666863 268111573 /nfs/dbraw/zinc/11/15/73/268111573.db2.gz UAKGTNDVFBSKFR-UHFFFAOYSA-N 1 1 305.378 2.882 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000268146877 268183763 /nfs/dbraw/zinc/18/37/63/268183763.db2.gz GHOUKGJQSPBVPV-AWEZNQCLSA-N 1 1 319.405 2.611 20 5 DFBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000271447283 268249442 /nfs/dbraw/zinc/24/94/42/268249442.db2.gz CJCHSMZHKXFNKQ-NEPJUHHUSA-N 1 1 321.377 2.805 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000272970206 268254266 /nfs/dbraw/zinc/25/42/66/268254266.db2.gz CAPKBGVMZNQZGZ-OAHLLOKOSA-N 1 1 320.320 2.566 20 5 DFBDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331723578 268358783 /nfs/dbraw/zinc/35/87/83/268358783.db2.gz LUPYQAITKJJJTG-JSGCOSHPSA-N 1 1 317.389 2.604 20 5 DFBDMO CC[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000125664274 425984596 /nfs/dbraw/zinc/98/45/96/425984596.db2.gz XIOGMVOUOLJILY-NSHDSACASA-N 1 1 302.334 2.877 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000107686544 425999175 /nfs/dbraw/zinc/99/91/75/425999175.db2.gz ICQBPTQNXXYHTK-CQSZACIVSA-N 1 1 308.378 2.722 20 5 DFBDMO COC(=O)[C@@H](C)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000103555442 425952307 /nfs/dbraw/zinc/95/23/07/425952307.db2.gz AINLMWMZRUOJGG-JTQLQIEISA-N 1 1 310.325 2.507 20 5 DFBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000103555442 425952310 /nfs/dbraw/zinc/95/23/10/425952310.db2.gz AINLMWMZRUOJGG-JTQLQIEISA-N 1 1 310.325 2.507 20 5 DFBDMO COc1ccc(CNCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000103716467 425953603 /nfs/dbraw/zinc/95/36/03/425953603.db2.gz QNPDXPIFGKVCIJ-UHFFFAOYSA-N 1 1 307.394 2.567 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1CCC1 ZINC000111297080 426043567 /nfs/dbraw/zinc/04/35/67/426043567.db2.gz PNSFAVJVNFZWRK-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC000111299373 426045322 /nfs/dbraw/zinc/04/53/22/426045322.db2.gz AQFOEWREEQENTM-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](CCO)C1CCCCC1 ZINC000111303695 426045344 /nfs/dbraw/zinc/04/53/44/426045344.db2.gz UBVQMQYFLCLCKC-UHFFFAOYSA-N 1 1 308.378 2.601 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC000111299372 426046390 /nfs/dbraw/zinc/04/63/90/426046390.db2.gz AQFOEWREEQENTM-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO CC[N@@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000126281757 426013407 /nfs/dbraw/zinc/01/34/07/426013407.db2.gz XRDSRTFWQHTMEC-UHFFFAOYSA-N 1 1 322.283 2.996 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000113364794 426112480 /nfs/dbraw/zinc/11/24/80/426112480.db2.gz JPBRJWOHHOJCJW-AWEZNQCLSA-N 1 1 320.393 2.981 20 5 DFBDMO CCOC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000113938319 426124411 /nfs/dbraw/zinc/12/44/11/426124411.db2.gz HQDPPWQVPYGTOV-AWEZNQCLSA-N 1 1 308.378 2.722 20 5 DFBDMO C[C@@H]1C[C@@H](C)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000077319162 426128182 /nfs/dbraw/zinc/12/81/82/426128182.db2.gz NALGLCZUMJJZTO-QWHCGFSZSA-N 1 1 305.378 2.678 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Cl)c(F)c1 ZINC000127659339 426079261 /nfs/dbraw/zinc/07/92/61/426079261.db2.gz FKMBFSWDLRTVPH-UHFFFAOYSA-N 1 1 312.732 2.716 20 5 DFBDMO CC(C)(C)C[N@@H+](CCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000112567314 426082612 /nfs/dbraw/zinc/08/26/12/426082612.db2.gz WICXNUIVOIUEGK-UHFFFAOYSA-N 1 1 310.394 2.704 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134944413 426201284 /nfs/dbraw/zinc/20/12/84/426201284.db2.gz XESWIEDZDWTJCG-ZWNOBZJWSA-N 1 1 323.780 2.557 20 5 DFBDMO CCC[N@@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C1CC1 ZINC000171682479 426204147 /nfs/dbraw/zinc/20/41/47/426204147.db2.gz RMILOKZHQYOQKH-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000135588626 426223713 /nfs/dbraw/zinc/22/37/13/426223713.db2.gz IASANHHOOADVPL-HNNXBMFYSA-N 1 1 300.362 2.838 20 5 DFBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000135588626 426223714 /nfs/dbraw/zinc/22/37/14/426223714.db2.gz IASANHHOOADVPL-HNNXBMFYSA-N 1 1 300.362 2.838 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081584861 426224178 /nfs/dbraw/zinc/22/41/78/426224178.db2.gz GBJSJGKPFJERPS-ZDUSSCGKSA-N 1 1 309.385 2.898 20 5 DFBDMO Cc1nccn1CCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000136298594 426239288 /nfs/dbraw/zinc/23/92/88/426239288.db2.gz VWBPXDNHTXVTEC-UHFFFAOYSA-N 1 1 318.377 2.501 20 5 DFBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)C(C)C ZINC000118833085 426246590 /nfs/dbraw/zinc/24/65/90/426246590.db2.gz FQWGHDRKAYUGCX-GFCCVEGCSA-N 1 1 323.393 2.908 20 5 DFBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)C(C)C ZINC000120226763 426308819 /nfs/dbraw/zinc/30/88/19/426308819.db2.gz ULPGCHZHWLJZJZ-CYBMUJFWSA-N 1 1 319.405 2.850 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CO)co2)cc1 ZINC000089885971 426315695 /nfs/dbraw/zinc/31/56/95/426315695.db2.gz SGHMRCGSXRLHEM-OAHLLOKOSA-N 1 1 317.345 2.597 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CO)co2)cc1 ZINC000089885971 426315696 /nfs/dbraw/zinc/31/56/96/426315696.db2.gz SGHMRCGSXRLHEM-OAHLLOKOSA-N 1 1 317.345 2.597 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000121208281 426324983 /nfs/dbraw/zinc/32/49/83/426324983.db2.gz JNODJYPLJVQZLK-LBPRGKRZSA-N 1 1 323.418 2.587 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000121208281 426324986 /nfs/dbraw/zinc/32/49/86/426324986.db2.gz JNODJYPLJVQZLK-LBPRGKRZSA-N 1 1 323.418 2.587 20 5 DFBDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559009 426327393 /nfs/dbraw/zinc/32/73/93/426327393.db2.gz PAWHPEWXVURYSP-ZFWWWQNUSA-N 1 1 307.394 2.657 20 5 DFBDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522348 426328275 /nfs/dbraw/zinc/32/82/75/426328275.db2.gz CJBUBMYWXMZSFS-ZDUSSCGKSA-N 1 1 307.394 2.657 20 5 DFBDMO Cc1c(C[N@@H+]2CCCN(CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000091083128 426338202 /nfs/dbraw/zinc/33/82/02/426338202.db2.gz ZHOIUFOZGWLOSC-UHFFFAOYSA-N 1 1 313.348 2.676 20 5 DFBDMO Cc1c(C[N@H+]2CCCN(CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000091083128 426338205 /nfs/dbraw/zinc/33/82/05/426338205.db2.gz ZHOIUFOZGWLOSC-UHFFFAOYSA-N 1 1 313.348 2.676 20 5 DFBDMO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000089211535 426282969 /nfs/dbraw/zinc/28/29/69/426282969.db2.gz UCSMXJMAYRESOA-LLVKDONJSA-N 1 1 318.377 2.750 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc2ccccc2o1 ZINC000175190252 426286600 /nfs/dbraw/zinc/28/66/00/426286600.db2.gz JMKBEPADMFKTPV-UHFFFAOYSA-N 1 1 300.318 2.670 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083185 426339305 /nfs/dbraw/zinc/33/93/05/426339305.db2.gz SSEZQHAGALOYDL-LBPRGKRZSA-N 1 1 313.348 2.929 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083185 426339306 /nfs/dbraw/zinc/33/93/06/426339306.db2.gz SSEZQHAGALOYDL-LBPRGKRZSA-N 1 1 313.348 2.929 20 5 DFBDMO CCCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000339794883 268891822 /nfs/dbraw/zinc/89/18/22/268891822.db2.gz ABKFPQJAHJSCIO-MRXNPFEDSA-N 1 1 324.425 2.587 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000152547611 426346109 /nfs/dbraw/zinc/34/61/09/426346109.db2.gz FWAKZYXVKBLGLM-INIZCTEOSA-N 1 1 313.357 2.952 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000152872416 426358255 /nfs/dbraw/zinc/35/82/55/426358255.db2.gz NOZIVEBPVZQOOH-PBHICJAKSA-N 1 1 320.389 2.865 20 5 DFBDMO COc1cccc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000176201456 426359676 /nfs/dbraw/zinc/35/96/76/426359676.db2.gz GPWVTPAKBOIFJO-HNNXBMFYSA-N 1 1 316.361 2.637 20 5 DFBDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176202185 426360201 /nfs/dbraw/zinc/36/02/01/426360201.db2.gz UTSKGCLZJNVXDK-SNVBAGLBSA-N 1 1 310.304 2.763 20 5 DFBDMO Cc1ccc([C@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176262300 426366047 /nfs/dbraw/zinc/36/60/47/426366047.db2.gz MGGALJUUCBORGA-CYBMUJFWSA-N 1 1 304.350 2.920 20 5 DFBDMO CCOc1ccc([C@H](C)NC[C@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000153013078 426366123 /nfs/dbraw/zinc/36/61/23/426366123.db2.gz ZSVVRGVSHXLDNQ-UONOGXRCSA-N 1 1 321.421 2.986 20 5 DFBDMO CCOc1ccc([C@H](C)NC[C@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000153013078 426366124 /nfs/dbraw/zinc/36/61/24/426366124.db2.gz ZSVVRGVSHXLDNQ-UONOGXRCSA-N 1 1 321.421 2.986 20 5 DFBDMO C[N@@H+](CCc1ccccn1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000153027606 426367034 /nfs/dbraw/zinc/36/70/34/426367034.db2.gz OYWUELOMCQBJIY-UHFFFAOYSA-N 1 1 312.329 2.806 20 5 DFBDMO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153286152 426379096 /nfs/dbraw/zinc/37/90/96/426379096.db2.gz XUOZVNKJVZBZDW-QGZVFWFLSA-N 1 1 322.405 2.593 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122594642 426384163 /nfs/dbraw/zinc/38/41/63/426384163.db2.gz ISPDZGGQDJAQTD-CJNGLKHVSA-N 1 1 319.405 2.706 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1NCCc1cn2c([nH+]1)CCCC2 ZINC000153566764 426391605 /nfs/dbraw/zinc/39/16/05/426391605.db2.gz KXXSJWXCLMGTAV-UHFFFAOYSA-N 1 1 321.768 2.831 20 5 DFBDMO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000153975327 426416121 /nfs/dbraw/zinc/41/61/21/426416121.db2.gz FYUREFYIRCAXPO-AWEZNQCLSA-N 1 1 321.377 2.614 20 5 DFBDMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000153975327 426416125 /nfs/dbraw/zinc/41/61/25/426416125.db2.gz FYUREFYIRCAXPO-AWEZNQCLSA-N 1 1 321.377 2.614 20 5 DFBDMO CC(C)c1[nH+]ccn1CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000123538006 426439535 /nfs/dbraw/zinc/43/95/35/426439535.db2.gz RSMSIYMTTCAZEB-UHFFFAOYSA-N 1 1 306.297 2.693 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000340860411 269023384 /nfs/dbraw/zinc/02/33/84/269023384.db2.gz SEUBFOXHHDNFQI-GFCCVEGCSA-N 1 1 309.414 2.652 20 5 DFBDMO CCc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177196687 426453366 /nfs/dbraw/zinc/45/33/66/426453366.db2.gz WFPVOPHPEPBIOQ-BXUZGUMPSA-N 1 1 317.389 2.512 20 5 DFBDMO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177220983 426455493 /nfs/dbraw/zinc/45/54/93/426455493.db2.gz QUTYUHUOFNJVQS-JOYOIKCWSA-N 1 1 323.780 2.603 20 5 DFBDMO COc1ccc(CN[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000098124491 426479889 /nfs/dbraw/zinc/47/98/89/426479889.db2.gz RVRZSPXMYZQFEA-CQSZACIVSA-N 1 1 309.410 2.669 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccn1 ZINC000124350393 426481979 /nfs/dbraw/zinc/48/19/79/426481979.db2.gz VNHPYYREKQPNSB-UHFFFAOYSA-N 1 1 301.346 2.543 20 5 DFBDMO CC(C)C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101552813 426484825 /nfs/dbraw/zinc/48/48/25/426484825.db2.gz QLMCGONDJRUYRZ-ZFWWWQNUSA-N 1 1 319.405 2.892 20 5 DFBDMO CC(C)C(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101552813 426484826 /nfs/dbraw/zinc/48/48/26/426484826.db2.gz QLMCGONDJRUYRZ-ZFWWWQNUSA-N 1 1 319.405 2.892 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCc2[nH+]ccn2C1 ZINC000288409495 426521183 /nfs/dbraw/zinc/52/11/83/426521183.db2.gz LLHKUGWXUDJQLP-GFCCVEGCSA-N 1 1 316.361 2.612 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280251245 426529639 /nfs/dbraw/zinc/52/96/39/426529639.db2.gz BZBSUOVWISBJFP-JJRVBVJISA-N 1 1 320.389 2.844 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280251245 426529643 /nfs/dbraw/zinc/52/96/43/426529643.db2.gz BZBSUOVWISBJFP-JJRVBVJISA-N 1 1 320.389 2.844 20 5 DFBDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177855479 426530475 /nfs/dbraw/zinc/53/04/75/426530475.db2.gz SNXPWHQNGCRHAJ-GFCCVEGCSA-N 1 1 323.393 2.910 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177874991 426533534 /nfs/dbraw/zinc/53/35/34/426533534.db2.gz JMKGHPNGYLRGID-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000195517869 426534006 /nfs/dbraw/zinc/53/40/06/426534006.db2.gz ZILZDNRHYLAZFG-CYBMUJFWSA-N 1 1 316.361 2.741 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000194730147 426491660 /nfs/dbraw/zinc/49/16/60/426491660.db2.gz XMRSTOMEJCMNRA-GFCCVEGCSA-N 1 1 319.386 2.634 20 5 DFBDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000177531983 426493104 /nfs/dbraw/zinc/49/31/04/426493104.db2.gz UFIXTWZPJJFSHL-CJNGLKHVSA-N 1 1 300.362 2.669 20 5 DFBDMO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000177545390 426494001 /nfs/dbraw/zinc/49/40/01/426494001.db2.gz OYRSLUCPDIFARM-BETUJISGSA-N 1 1 303.362 2.655 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264943133 426580116 /nfs/dbraw/zinc/58/01/16/426580116.db2.gz IBWGDHHKSKWVAZ-ZDUSSCGKSA-N 1 1 305.378 2.589 20 5 DFBDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280590486 426608916 /nfs/dbraw/zinc/60/89/16/426608916.db2.gz UEOPTOBFTDRYJZ-CYBMUJFWSA-N 1 1 307.394 2.515 20 5 DFBDMO CCC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000280693285 426634885 /nfs/dbraw/zinc/63/48/85/426634885.db2.gz JNRHSTZQISINAP-KGLIPLIRSA-N 1 1 317.389 2.860 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000178524105 426647454 /nfs/dbraw/zinc/64/74/54/426647454.db2.gz LISDSYVVSIKOKZ-AWEZNQCLSA-N 1 1 320.389 2.801 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273356634 426651153 /nfs/dbraw/zinc/65/11/53/426651153.db2.gz DPXDXCQEPXGQIL-GFCCVEGCSA-N 1 1 324.356 2.682 20 5 DFBDMO CC1=C(C)C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280820564 426663796 /nfs/dbraw/zinc/66/37/96/426663796.db2.gz USJUKHWMLNLZNI-CYBMUJFWSA-N 1 1 303.362 2.964 20 5 DFBDMO CC1=C(C)C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280820564 426663801 /nfs/dbraw/zinc/66/38/01/426663801.db2.gz USJUKHWMLNLZNI-CYBMUJFWSA-N 1 1 303.362 2.964 20 5 DFBDMO CC1=C(C)C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280820565 426664511 /nfs/dbraw/zinc/66/45/11/426664511.db2.gz USJUKHWMLNLZNI-ZDUSSCGKSA-N 1 1 303.362 2.964 20 5 DFBDMO CC1=C(C)C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280820565 426664516 /nfs/dbraw/zinc/66/45/16/426664516.db2.gz USJUKHWMLNLZNI-ZDUSSCGKSA-N 1 1 303.362 2.964 20 5 DFBDMO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178678142 426675736 /nfs/dbraw/zinc/67/57/36/426675736.db2.gz NLEPEPOTALFZIS-HZPDHXFCSA-N 1 1 313.357 2.862 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178427376 426627579 /nfs/dbraw/zinc/62/75/79/426627579.db2.gz PMEHSEILZVPKEE-QFIPXVFZSA-N 1 1 318.398 2.964 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178427376 426627582 /nfs/dbraw/zinc/62/75/82/426627582.db2.gz PMEHSEILZVPKEE-QFIPXVFZSA-N 1 1 318.398 2.964 20 5 DFBDMO CC(C)OCCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265910611 426708131 /nfs/dbraw/zinc/70/81/31/426708131.db2.gz XOZDIRUERSGQRI-UHFFFAOYSA-N 1 1 323.393 2.670 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245478575 426742886 /nfs/dbraw/zinc/74/28/86/426742886.db2.gz VPGBINCBNHFROG-DZGCQCFKSA-N 1 1 321.421 2.908 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cn3cccn3)CC2)c(F)c1 ZINC000267081290 426821012 /nfs/dbraw/zinc/82/10/12/426821012.db2.gz YBODYMMWNLXXMW-UHFFFAOYSA-N 1 1 318.352 2.843 20 5 DFBDMO CC(=O)c1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290764907 426833145 /nfs/dbraw/zinc/83/31/45/426833145.db2.gz KNTQNMAUARZJNP-MFKMUULPSA-N 1 1 303.362 2.835 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246458368 426834961 /nfs/dbraw/zinc/83/49/61/426834961.db2.gz MXECAUZICARAAN-HIFRSBDPSA-N 1 1 319.405 2.955 20 5 DFBDMO Cc1cccc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274559267 426791486 /nfs/dbraw/zinc/79/14/86/426791486.db2.gz YZXJGCFWVNGJBP-ZDUSSCGKSA-N 1 1 305.378 2.506 20 5 DFBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)[C@@H]2C1 ZINC000246039466 426793914 /nfs/dbraw/zinc/79/39/14/426793914.db2.gz AISALUJFVWHQSG-OIISXLGYSA-N 1 1 320.389 2.672 20 5 DFBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)[C@@H]2C1 ZINC000246039466 426793918 /nfs/dbraw/zinc/79/39/18/426793918.db2.gz AISALUJFVWHQSG-OIISXLGYSA-N 1 1 320.389 2.672 20 5 DFBDMO C[N@@H+](CCCNc1ncc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000189680813 426923845 /nfs/dbraw/zinc/92/38/45/426923845.db2.gz WURJCEHGBLPZDP-UHFFFAOYSA-N 1 1 306.391 2.985 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275646389 426884821 /nfs/dbraw/zinc/88/48/21/426884821.db2.gz NZLPDWDZAGOIGG-SECBINFHSA-N 1 1 307.741 2.514 20 5 DFBDMO CC(=O)N(C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000275721201 426906400 /nfs/dbraw/zinc/90/64/00/426906400.db2.gz 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C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295407043 426944615 /nfs/dbraw/zinc/94/46/15/426944615.db2.gz BTVMATZLXRQFFL-STQMWFEESA-N 1 1 321.377 2.818 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295407043 426944621 /nfs/dbraw/zinc/94/46/21/426944621.db2.gz BTVMATZLXRQFFL-STQMWFEESA-N 1 1 321.377 2.818 20 5 DFBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000292017550 427059098 /nfs/dbraw/zinc/05/90/98/427059098.db2.gz WHBJPDSPZWSWMC-LLVKDONJSA-N 1 1 318.377 2.535 20 5 DFBDMO C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248438465 427000914 /nfs/dbraw/zinc/00/09/14/427000914.db2.gz BUUUNOIIFOVSDW-RBSFLKMASA-N 1 1 322.405 2.703 20 5 DFBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000291839673 427003336 /nfs/dbraw/zinc/00/33/36/427003336.db2.gz GPZZVLIXAFMEAE-JWAFFJSPSA-N 1 1 319.405 2.843 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295550782 427004070 /nfs/dbraw/zinc/00/40/70/427004070.db2.gz SEKDSNJXGHIDNZ-AWEZNQCLSA-N 1 1 308.378 2.586 20 5 DFBDMO CCC[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248470860 427005515 /nfs/dbraw/zinc/00/55/15/427005515.db2.gz VLCZNOZUGQMQKI-LSDHHAIUSA-N 1 1 322.405 2.847 20 5 DFBDMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000295970220 427032515 /nfs/dbraw/zinc/03/25/15/427032515.db2.gz ILJXOQQWXLUOQU-JTQLQIEISA-N 1 1 304.302 2.825 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182233454 427034679 /nfs/dbraw/zinc/03/46/79/427034679.db2.gz HUOCWYHEKUXOEI-CQSZACIVSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182233454 427034686 /nfs/dbraw/zinc/03/46/86/427034686.db2.gz HUOCWYHEKUXOEI-CQSZACIVSA-N 1 1 312.753 2.633 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1ccccn1 ZINC000182268198 427041962 /nfs/dbraw/zinc/04/19/62/427041962.db2.gz GVNUDTCCWRBSNK-GFCCVEGCSA-N 1 1 314.345 2.588 20 5 DFBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000248828824 427047188 /nfs/dbraw/zinc/04/71/88/427047188.db2.gz LBJQUDXIWNLIKF-AGGWBTHJSA-N 1 1 308.378 2.597 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000291986132 427047659 /nfs/dbraw/zinc/04/76/59/427047659.db2.gz UEQDZFAEOYWZPC-SNVBAGLBSA-N 1 1 313.785 2.707 20 5 DFBDMO CS[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042527 427053589 /nfs/dbraw/zinc/05/35/89/427053589.db2.gz AOGWSRZKICWSSA-VXGBXAGGSA-N 1 1 323.418 2.668 20 5 DFBDMO CS[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042527 427053594 /nfs/dbraw/zinc/05/35/94/427053594.db2.gz AOGWSRZKICWSSA-VXGBXAGGSA-N 1 1 323.418 2.668 20 5 DFBDMO CCOCCOCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000190252677 427053925 /nfs/dbraw/zinc/05/39/25/427053925.db2.gz UDMVGAZGPVNSMS-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO CCOCCOCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000190252677 427053933 /nfs/dbraw/zinc/05/39/33/427053933.db2.gz UDMVGAZGPVNSMS-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO CC[N@@H+](C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292048009 427069514 /nfs/dbraw/zinc/06/95/14/427069514.db2.gz YHFPSJUGUDRESM-UHFFFAOYSA-N 1 1 320.176 2.583 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292064147 427074693 /nfs/dbraw/zinc/07/46/93/427074693.db2.gz CXUIZOFSPAASLK-RHSMWYFYSA-N 1 1 303.406 2.992 20 5 DFBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000249259264 427101241 /nfs/dbraw/zinc/10/12/41/427101241.db2.gz GRLQAWZVRYABQD-DGCLKSJQSA-N 1 1 304.375 2.909 20 5 DFBDMO COCCO[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000249383887 427108545 /nfs/dbraw/zinc/10/85/45/427108545.db2.gz PKZVRGLIXJOCTM-DZGCQCFKSA-N 1 1 308.378 2.702 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCSC[C@H](C)C1 ZINC000190464855 427115166 /nfs/dbraw/zinc/11/51/66/427115166.db2.gz SQHUVJDOELEZAY-LLVKDONJSA-N 1 1 323.418 2.527 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCSC[C@H](C)C1 ZINC000190464855 427115171 /nfs/dbraw/zinc/11/51/71/427115171.db2.gz SQHUVJDOELEZAY-LLVKDONJSA-N 1 1 323.418 2.527 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@H]2C1 ZINC000276661959 427116086 /nfs/dbraw/zinc/11/60/86/427116086.db2.gz SBMXHNVZHBRTAE-LRDDRELGSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000292187668 427123109 /nfs/dbraw/zinc/12/31/09/427123109.db2.gz RDAOVMHMUDBDSQ-HNNXBMFYSA-N 1 1 309.797 2.776 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCSC[C@H](C)C1 ZINC000190487830 427125526 /nfs/dbraw/zinc/12/55/26/427125526.db2.gz LHTHNACXKFIZTI-NEPJUHHUSA-N 1 1 323.418 2.607 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCSC[C@H](C)C1 ZINC000190487830 427125530 /nfs/dbraw/zinc/12/55/30/427125530.db2.gz LHTHNACXKFIZTI-NEPJUHHUSA-N 1 1 323.418 2.607 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940856 427138544 /nfs/dbraw/zinc/13/85/44/427138544.db2.gz AGSKZFSZIPVWLW-CZUORRHYSA-N 1 1 307.369 2.650 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182763963 427140151 /nfs/dbraw/zinc/14/01/51/427140151.db2.gz GSHBOOHKKMNKFN-LBPRGKRZSA-N 1 1 308.382 2.755 20 5 DFBDMO Cc1ccc(C[C@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174870395 271141138 /nfs/dbraw/zinc/14/11/38/271141138.db2.gz KTFXVRBJDWSTCT-AWEZNQCLSA-N 1 1 302.378 2.663 20 5 DFBDMO CCCCOC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000278819906 271320244 /nfs/dbraw/zinc/32/02/44/271320244.db2.gz XSVPCZSMLBIKLA-QGZVFWFLSA-N 1 1 324.421 2.983 20 5 DFBDMO CCOCC[N@H+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000252353141 427173705 /nfs/dbraw/zinc/17/37/05/427173705.db2.gz RZQCYUPROKCTLJ-LSDHHAIUSA-N 1 1 321.421 2.698 20 5 DFBDMO COCCSCCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285391036 427219275 /nfs/dbraw/zinc/21/92/75/427219275.db2.gz SLEYDDVDPBUZQB-UHFFFAOYSA-N 1 1 312.435 2.839 20 5 DFBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000296478506 427191607 /nfs/dbraw/zinc/19/16/07/427191607.db2.gz DRBFYHHOLDNEBI-MRXNPFEDSA-N 1 1 318.377 2.544 20 5 DFBDMO Cc1nc(NCCC[N@H+](C)C2CCCCC2)ncc1[N+](=O)[O-] ZINC000296524034 427211216 /nfs/dbraw/zinc/21/12/16/427211216.db2.gz MXHBPWFPTZICML-UHFFFAOYSA-N 1 1 307.398 2.760 20 5 DFBDMO COc1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285395636 427220905 /nfs/dbraw/zinc/22/09/05/427220905.db2.gz SUALQOPRFBKFFD-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183207234 427223155 /nfs/dbraw/zinc/22/31/55/427223155.db2.gz WJRLQQQBOHPNJB-AWEZNQCLSA-N 1 1 306.362 2.678 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000183228060 427228169 /nfs/dbraw/zinc/22/81/69/427228169.db2.gz QEJNCSQEIFBRIF-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO CC(C)SCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338287767 427237473 /nfs/dbraw/zinc/23/74/73/427237473.db2.gz SHRVAIFWQBJRPC-LBPRGKRZSA-N 1 1 310.423 2.618 20 5 DFBDMO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000285462534 427240343 /nfs/dbraw/zinc/24/03/43/427240343.db2.gz ARBXHPRIJNBUPN-XPTSAGLGSA-N 1 1 323.299 2.652 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000285472725 427242413 /nfs/dbraw/zinc/24/24/13/427242413.db2.gz QIDQPDLMXFLOFT-GFCCVEGCSA-N 1 1 323.368 2.599 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330569368 427267202 /nfs/dbraw/zinc/26/72/02/427267202.db2.gz MBJYWJHFAJGNMX-STQMWFEESA-N 1 1 307.394 2.518 20 5 DFBDMO CCCCCNC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338345121 427267836 /nfs/dbraw/zinc/26/78/36/427267836.db2.gz DXWWTLRUWLFMLO-AWEZNQCLSA-N 1 1 321.421 2.764 20 5 DFBDMO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338345186 427269389 /nfs/dbraw/zinc/26/93/89/427269389.db2.gz FUIOPYSQHHWYQW-CYBMUJFWSA-N 1 1 321.421 2.762 20 5 DFBDMO CCc1ccc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000293298182 427276463 /nfs/dbraw/zinc/27/64/63/427276463.db2.gz KQEHHLSCNXRHKP-INIZCTEOSA-N 1 1 314.389 2.843 20 5 DFBDMO CCOC1CC2(C1)CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000285592835 427283445 /nfs/dbraw/zinc/28/34/45/427283445.db2.gz WAGYYLSJNBXMKR-UHFFFAOYSA-N 1 1 320.389 2.865 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000270334091 427324057 /nfs/dbraw/zinc/32/40/57/427324057.db2.gz MJJBDCXPTNRZPC-UHFFFAOYSA-N 1 1 303.362 2.884 20 5 DFBDMO CCc1nocc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000293452528 427328189 /nfs/dbraw/zinc/32/81/89/427328189.db2.gz PMUBAUIZDWFRHM-UHFFFAOYSA-N 1 1 305.334 2.656 20 5 DFBDMO CCc1nocc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000293452528 427328195 /nfs/dbraw/zinc/32/81/95/427328195.db2.gz PMUBAUIZDWFRHM-UHFFFAOYSA-N 1 1 305.334 2.656 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1(CO)CCC1 ZINC000293451657 427329892 /nfs/dbraw/zinc/32/98/92/427329892.db2.gz CMVZREVPKNLJQD-UHFFFAOYSA-N 1 1 318.295 2.960 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277831883 427333832 /nfs/dbraw/zinc/33/38/32/427333832.db2.gz RPENOGQBLIXWCH-DGCLKSJQSA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277831883 427333838 /nfs/dbraw/zinc/33/38/38/427333838.db2.gz RPENOGQBLIXWCH-DGCLKSJQSA-N 1 1 318.295 2.730 20 5 DFBDMO Cc1c([C@@H](C)[NH2+]Cc2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000183785224 427339897 /nfs/dbraw/zinc/33/98/97/427339897.db2.gz YHDOTHMRQVNREX-GFCCVEGCSA-N 1 1 311.345 2.797 20 5 DFBDMO Cc1cccc(NCCC[N@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000277695287 427288297 /nfs/dbraw/zinc/28/82/97/427288297.db2.gz RAYIHASUFCDHFL-AWEZNQCLSA-N 1 1 307.394 2.816 20 5 DFBDMO Cc1cccc(NCCC[N@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000277695291 427288893 /nfs/dbraw/zinc/28/88/93/427288893.db2.gz RAYIHASUFCDHFL-CQSZACIVSA-N 1 1 307.394 2.816 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285624222 427291390 /nfs/dbraw/zinc/29/13/90/427291390.db2.gz QUSVCQNPPVMEAM-CYBMUJFWSA-N 1 1 318.295 2.874 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000331271057 427386286 /nfs/dbraw/zinc/38/62/86/427386286.db2.gz MYLAVQKWKACNEM-CJNGLKHVSA-N 1 1 322.405 2.975 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)C3)s2)cc1 ZINC000271083179 427397998 /nfs/dbraw/zinc/39/79/98/427397998.db2.gz JTCRRRLOFMUHBK-ZDUSSCGKSA-N 1 1 304.371 2.890 20 5 DFBDMO CCOc1cccc(N(C)C[C@@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000184129285 427398466 /nfs/dbraw/zinc/39/84/66/427398466.db2.gz BWXNYKXEFQJIBD-ZDUSSCGKSA-N 1 1 307.394 2.914 20 5 DFBDMO COCCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOC ZINC000271119042 427411029 /nfs/dbraw/zinc/41/10/29/427411029.db2.gz IUFSTWMCARZUFJ-VMPITWQZSA-N 1 1 308.378 2.593 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000331155993 427356042 /nfs/dbraw/zinc/35/60/42/427356042.db2.gz PQXULABBBYMZAP-SNVBAGLBSA-N 1 1 300.305 2.748 20 5 DFBDMO C[C@H](C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183971240 427367384 /nfs/dbraw/zinc/36/73/84/427367384.db2.gz GBEBAJMKURNBRV-RISCZKNCSA-N 1 1 321.402 2.820 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286231715 427460110 /nfs/dbraw/zinc/46/01/10/427460110.db2.gz ZFGMCXCJJLROCY-QRTARXTBSA-N 1 1 322.405 2.644 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1OCCCn1cc[nH+]c1C ZINC000271232190 427461663 /nfs/dbraw/zinc/46/16/63/427461663.db2.gz UZEYIUXYSSSGDY-UHFFFAOYSA-N 1 1 303.318 2.771 20 5 DFBDMO C[C@@H](NCC[NH+]1CCC(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293866921 427471766 /nfs/dbraw/zinc/47/17/66/427471766.db2.gz USSOHRBGXVCCSR-CYBMUJFWSA-N 1 1 306.410 2.560 20 5 DFBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000338765640 427475270 /nfs/dbraw/zinc/47/52/70/427475270.db2.gz DPOCWOYBRNZUBM-UHFFFAOYSA-N 1 1 313.785 2.708 20 5 DFBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000293778024 427433593 /nfs/dbraw/zinc/43/35/93/427433593.db2.gz VUYROOOOMWNAMD-CYBMUJFWSA-N 1 1 317.389 2.541 20 5 DFBDMO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413017 427437427 /nfs/dbraw/zinc/43/74/27/427437427.db2.gz FODZQEXJDIPWCV-GJZGRUSLSA-N 1 1 321.421 2.746 20 5 DFBDMO C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413017 427437431 /nfs/dbraw/zinc/43/74/31/427437431.db2.gz FODZQEXJDIPWCV-GJZGRUSLSA-N 1 1 321.421 2.746 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000271337822 427500718 /nfs/dbraw/zinc/50/07/18/427500718.db2.gz NXODRXSBLXDMAX-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000271337822 427500722 /nfs/dbraw/zinc/50/07/22/427500722.db2.gz NXODRXSBLXDMAX-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000271337822 427500726 /nfs/dbraw/zinc/50/07/26/427500726.db2.gz NXODRXSBLXDMAX-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000271337822 427500730 /nfs/dbraw/zinc/50/07/30/427500730.db2.gz NXODRXSBLXDMAX-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC000271337822 427500735 /nfs/dbraw/zinc/50/07/35/427500735.db2.gz NXODRXSBLXDMAX-CQSZACIVSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1noc([C@H]2CC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000332083392 427505085 /nfs/dbraw/zinc/50/50/85/427505085.db2.gz OVQPBVFAUJDUNV-MFKMUULPSA-N 1 1 302.334 2.837 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCCCO ZINC000278959912 427513905 /nfs/dbraw/zinc/51/39/05/427513905.db2.gz WQVCRUJTEHVDHW-UHFFFAOYSA-N 1 1 310.394 2.976 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCCn1cc[nH+]c1C ZINC000286393358 427514520 /nfs/dbraw/zinc/51/45/20/427514520.db2.gz ZBHDBADWQIYTEW-UHFFFAOYSA-N 1 1 316.361 2.829 20 5 DFBDMO Cc1ccccc1[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332170363 427529952 /nfs/dbraw/zinc/52/99/52/427529952.db2.gz YACSMFHDUWUHHL-CYBMUJFWSA-N 1 1 300.362 2.626 20 5 DFBDMO COc1cccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000286443494 427531391 /nfs/dbraw/zinc/53/13/91/427531391.db2.gz RMXGEUJQHGVKRF-FUNVUKJBSA-N 1 1 305.378 2.665 20 5 DFBDMO Cc1ccc(C[NH2+]Cc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000263714181 427550646 /nfs/dbraw/zinc/55/06/46/427550646.db2.gz AIKVWNBTDUKXPO-UHFFFAOYSA-N 1 1 300.362 2.726 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000332523772 427619027 /nfs/dbraw/zinc/61/90/27/427619027.db2.gz QVXYKOJLJCJTGH-UONOGXRCSA-N 1 1 317.389 2.602 20 5 DFBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000332237662 427556279 /nfs/dbraw/zinc/55/62/79/427556279.db2.gz OGABYYQTTGHNIJ-WDEREUQCSA-N 1 1 317.345 2.506 20 5 DFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000332237662 427556287 /nfs/dbraw/zinc/55/62/87/427556287.db2.gz OGABYYQTTGHNIJ-WDEREUQCSA-N 1 1 317.345 2.506 20 5 DFBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000332237660 427556500 /nfs/dbraw/zinc/55/65/00/427556500.db2.gz OGABYYQTTGHNIJ-MNOVXSKESA-N 1 1 317.345 2.506 20 5 DFBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000332237660 427556504 /nfs/dbraw/zinc/55/65/04/427556504.db2.gz OGABYYQTTGHNIJ-MNOVXSKESA-N 1 1 317.345 2.506 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1NCCc1cn2c([nH+]1)CCCC2 ZINC000341740195 271888079 /nfs/dbraw/zinc/88/80/79/271888079.db2.gz CUBNEKAMVFGDQD-UHFFFAOYSA-N 1 1 304.325 2.921 20 5 DFBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263756861 427560742 /nfs/dbraw/zinc/56/07/42/427560742.db2.gz QNXWOTIJPSDBJG-OAHLLOKOSA-N 1 1 319.405 2.723 20 5 DFBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccccc1 ZINC000298295553 427561097 /nfs/dbraw/zinc/56/10/97/427561097.db2.gz UJJNLRZTQAIAKI-KRWDZBQOSA-N 1 1 300.358 2.630 20 5 DFBDMO Cn1cc(C[N@@H+]2CCC[C@@H]2CF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294211510 427588707 /nfs/dbraw/zinc/58/87/07/427588707.db2.gz YGIHNRHRQCHUTD-OAHLLOKOSA-N 1 1 318.352 2.929 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@@H]2CF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294211510 427588714 /nfs/dbraw/zinc/58/87/14/427588714.db2.gz YGIHNRHRQCHUTD-OAHLLOKOSA-N 1 1 318.352 2.929 20 5 DFBDMO CC[N@@H+](CCNc1ncnc2sc([N+](=O)[O-])cc21)C(C)C ZINC000342098991 271942600 /nfs/dbraw/zinc/94/26/00/271942600.db2.gz SLRHWOGKZDREMB-UHFFFAOYSA-N 1 1 309.395 2.742 20 5 DFBDMO O=C(C[N@H+]1CCC[C@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000263999383 427630570 /nfs/dbraw/zinc/63/05/70/427630570.db2.gz NENQEDXPIYOTSS-AWEZNQCLSA-N 1 1 303.362 2.798 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(CC(F)F)c1 ZINC000294747800 427648107 /nfs/dbraw/zinc/64/81/07/427648107.db2.gz RGECWFFYFVBXNK-UHFFFAOYSA-N 1 1 324.331 2.731 20 5 DFBDMO COc1ccccc1C[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000264096945 427654400 /nfs/dbraw/zinc/65/44/00/427654400.db2.gz QXWIBEUKCBJSSR-UHFFFAOYSA-N 1 1 316.357 2.598 20 5 DFBDMO COc1ccccc1C[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000264096945 427654404 /nfs/dbraw/zinc/65/44/04/427654404.db2.gz QXWIBEUKCBJSSR-UHFFFAOYSA-N 1 1 316.357 2.598 20 5 DFBDMO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000343066947 272082073 /nfs/dbraw/zinc/08/20/73/272082073.db2.gz JDBYZOPOCHUGBF-WDEREUQCSA-N 1 1 311.407 2.649 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000343446122 272148635 /nfs/dbraw/zinc/14/86/35/272148635.db2.gz LWGCXYWMUHLIQP-KBPBESRZSA-N 1 1 319.405 2.733 20 5 DFBDMO CCC1(CC)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343623125 272186124 /nfs/dbraw/zinc/18/61/24/272186124.db2.gz XLIGDOKUSROZCG-CQSZACIVSA-N 1 1 322.405 2.847 20 5 DFBDMO Cc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000343633464 272189448 /nfs/dbraw/zinc/18/94/48/272189448.db2.gz TVDIHUHCDXUUFR-UHFFFAOYSA-N 1 1 312.373 2.619 20 5 DFBDMO CC(C)[C@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343693940 272202774 /nfs/dbraw/zinc/20/27/74/272202774.db2.gz PKGDGORNPGSVGT-LBPRGKRZSA-N 1 1 321.377 2.869 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344045604 272252721 /nfs/dbraw/zinc/25/27/21/272252721.db2.gz JYTSNVQMFQCQDN-MAZHCROVSA-N 1 1 320.389 2.585 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344056699 272253081 /nfs/dbraw/zinc/25/30/81/272253081.db2.gz JZRKGZAJCMWGGS-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO CC[C@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000344213125 272288594 /nfs/dbraw/zinc/28/85/94/272288594.db2.gz DPRKPJNMBKURLG-MRXNPFEDSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000344213125 272288596 /nfs/dbraw/zinc/28/85/96/272288596.db2.gz DPRKPJNMBKURLG-MRXNPFEDSA-N 1 1 321.377 2.664 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344217236 272289939 /nfs/dbraw/zinc/28/99/39/272289939.db2.gz QRJMNUQCBLHEBS-LBPRGKRZSA-N 1 1 323.368 2.584 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344424667 272329572 /nfs/dbraw/zinc/32/95/72/272329572.db2.gz VAYLFNXNXZVPRR-GUTXKFCHSA-N 1 1 304.394 2.831 20 5 DFBDMO CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000298773443 427702911 /nfs/dbraw/zinc/70/29/11/427702911.db2.gz SRRZGJPPEMHUOX-OCCSQVGLSA-N 1 1 321.377 2.866 20 5 DFBDMO CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000298773443 427702915 /nfs/dbraw/zinc/70/29/15/427702915.db2.gz SRRZGJPPEMHUOX-OCCSQVGLSA-N 1 1 321.377 2.866 20 5 DFBDMO CCc1nn(C)c(NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000301351902 427790802 /nfs/dbraw/zinc/79/08/02/427790802.db2.gz KNHMZFXKRGRNTQ-GFCCVEGCSA-N 1 1 309.414 2.567 20 5 DFBDMO Cc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301065119 427772705 /nfs/dbraw/zinc/77/27/05/427772705.db2.gz DLYXDPWQEKFTDP-AWEZNQCLSA-N 1 1 319.405 2.593 20 5 DFBDMO C[N@@H+](CCNc1nc2sccn2c1[N+](=O)[O-])C1CCCCC1 ZINC000301100355 427775218 /nfs/dbraw/zinc/77/52/18/427775218.db2.gz HUXCGLMGYSCPTR-UHFFFAOYSA-N 1 1 323.422 2.980 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCc2ccccc2C1 ZINC000301186350 427780727 /nfs/dbraw/zinc/78/07/27/427780727.db2.gz KBCAGNUCFFBNRI-UHFFFAOYSA-N 1 1 312.373 2.768 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000301205416 427781915 /nfs/dbraw/zinc/78/19/15/427781915.db2.gz YSTNOWTYDNKBBQ-HNNXBMFYSA-N 1 1 307.394 2.672 20 5 DFBDMO CC[N@@H+](C)CCNc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301270709 427786075 /nfs/dbraw/zinc/78/60/75/427786075.db2.gz XNVSCCPHPLXDJL-UHFFFAOYSA-N 1 1 315.377 2.724 20 5 DFBDMO CC(=O)c1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000288025489 427730660 /nfs/dbraw/zinc/73/06/60/427730660.db2.gz WRWRGJGYIVMUAD-XHDPSFHLSA-N 1 1 305.378 2.938 20 5 DFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000299108350 427751806 /nfs/dbraw/zinc/75/18/06/427751806.db2.gz WEPKIIIZWZYBIQ-MNOVXSKESA-N 1 1 311.407 2.507 20 5 DFBDMO Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301376212 427792152 /nfs/dbraw/zinc/79/21/52/427792152.db2.gz VXEVKNUJUIDBIF-LXZKKBNFSA-N 1 1 301.390 2.824 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345876230 272548882 /nfs/dbraw/zinc/54/88/82/272548882.db2.gz DHIKFLXJJZGUMX-NEPJUHHUSA-N 1 1 306.366 2.541 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339685381 427811743 /nfs/dbraw/zinc/81/17/43/427811743.db2.gz ZPHDOHCIEKVTPS-CQSZACIVSA-N 1 1 317.389 2.964 20 5 DFBDMO CCOc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000301660376 427813500 /nfs/dbraw/zinc/81/35/00/427813500.db2.gz CMEOVPWEMIQXDQ-HIFRSBDPSA-N 1 1 319.405 2.914 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000339771175 427825945 /nfs/dbraw/zinc/82/59/45/427825945.db2.gz AGYHJGBPHMOUDT-INIZCTEOSA-N 1 1 320.389 2.865 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000339771175 427825948 /nfs/dbraw/zinc/82/59/48/427825948.db2.gz AGYHJGBPHMOUDT-INIZCTEOSA-N 1 1 320.389 2.865 20 5 DFBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)cc1 ZINC000301822578 427826911 /nfs/dbraw/zinc/82/69/11/427826911.db2.gz HGJBXORQGGXVAW-ZBFHGGJFSA-N 1 1 316.336 2.986 20 5 DFBDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000340409309 427840094 /nfs/dbraw/zinc/84/00/94/427840094.db2.gz PPHIVOCUBRBCRQ-UHFFFAOYSA-N 1 1 313.357 2.634 20 5 DFBDMO Cc1cccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000340409309 427840103 /nfs/dbraw/zinc/84/01/03/427840103.db2.gz PPHIVOCUBRBCRQ-UHFFFAOYSA-N 1 1 313.357 2.634 20 5 DFBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340405870 427841066 /nfs/dbraw/zinc/84/10/66/427841066.db2.gz WDXDBYMCJFZKNK-ZIAGYGMSSA-N 1 1 308.378 2.863 20 5 DFBDMO CCc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000345679987 427855545 /nfs/dbraw/zinc/85/55/45/427855545.db2.gz MWUPQBZVPQSNAR-CYBMUJFWSA-N 1 1 319.405 2.619 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413198599 427988718 /nfs/dbraw/zinc/98/87/18/427988718.db2.gz CFWNDPSLWKAPGD-LBPRGKRZSA-N 1 1 323.356 2.870 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000340150325 427938295 /nfs/dbraw/zinc/93/82/95/427938295.db2.gz HRWVNMVOWGIXNR-MJBXVCDLSA-N 1 1 304.394 2.831 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000359839871 428039915 /nfs/dbraw/zinc/03/99/15/428039915.db2.gz RCJXSOBBXGYUDX-LBPRGKRZSA-N 1 1 309.414 2.652 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000369582911 428008408 /nfs/dbraw/zinc/00/84/08/428008408.db2.gz FPWNCJUWIJZYMV-BZUAXINKSA-N 1 1 320.389 2.719 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346192584 428061575 /nfs/dbraw/zinc/06/15/75/428061575.db2.gz PJSWYBZQGMLXES-LSDHHAIUSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1C[C@@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346192584 428061578 /nfs/dbraw/zinc/06/15/78/428061578.db2.gz PJSWYBZQGMLXES-LSDHHAIUSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1C[C@@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346192584 428061582 /nfs/dbraw/zinc/06/15/82/428061582.db2.gz PJSWYBZQGMLXES-LSDHHAIUSA-N 1 1 321.421 2.778 20 5 DFBDMO Cc1cccc([C@]2(F)CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000377150888 428072012 /nfs/dbraw/zinc/07/20/12/428072012.db2.gz BOBYSRTVZWMRSA-INIZCTEOSA-N 1 1 318.352 2.670 20 5 DFBDMO Cc1cccc([C@]2(F)CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000377150888 428072016 /nfs/dbraw/zinc/07/20/16/428072016.db2.gz BOBYSRTVZWMRSA-INIZCTEOSA-N 1 1 318.352 2.670 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000377175210 428076285 /nfs/dbraw/zinc/07/62/85/428076285.db2.gz HAGGWKZFAXERCS-RRFJBIMHSA-N 1 1 320.389 2.599 20 5 DFBDMO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000341542396 428099320 /nfs/dbraw/zinc/09/93/20/428099320.db2.gz JQXHAGYXAKFVCY-NWDGAFQWSA-N 1 1 323.368 2.727 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000369974308 428101110 /nfs/dbraw/zinc/10/11/10/428101110.db2.gz OHILQNYRWXHKGM-CQSZACIVSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000369974308 428101114 /nfs/dbraw/zinc/10/11/14/428101114.db2.gz OHILQNYRWXHKGM-CQSZACIVSA-N 1 1 304.325 2.768 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000356286971 428105052 /nfs/dbraw/zinc/10/50/52/428105052.db2.gz SQKBRZMAAAAAGN-XHDPSFHLSA-N 1 1 323.368 2.536 20 5 DFBDMO Cc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000377358486 428113057 /nfs/dbraw/zinc/11/30/57/428113057.db2.gz HDGQHKCDSJCWOF-LSDHHAIUSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)n1 ZINC000370025581 428113234 /nfs/dbraw/zinc/11/32/34/428113234.db2.gz FNDABCPOUIPZFU-KRWDZBQOSA-N 1 1 323.356 2.566 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000370026652 428113881 /nfs/dbraw/zinc/11/38/81/428113881.db2.gz LBVXZPRBHVBXRU-AWEZNQCLSA-N 1 1 322.315 2.907 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)n1 ZINC000370026652 428113886 /nfs/dbraw/zinc/11/38/86/428113886.db2.gz LBVXZPRBHVBXRU-AWEZNQCLSA-N 1 1 322.315 2.907 20 5 DFBDMO CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412790 428124332 /nfs/dbraw/zinc/12/43/32/428124332.db2.gz OUWGMLAOWQZGQO-TZMCWYRMSA-N 1 1 300.362 2.916 20 5 DFBDMO CN(CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@H+]1C ZINC000352543869 428144713 /nfs/dbraw/zinc/14/47/13/428144713.db2.gz KVDQARBZBSGBID-INIZCTEOSA-N 1 1 305.422 2.944 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000370201986 428156328 /nfs/dbraw/zinc/15/63/28/428156328.db2.gz RBPSZTVKTDDRLQ-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO C[C@H]1C[C@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000352620682 428173354 /nfs/dbraw/zinc/17/33/54/428173354.db2.gz HAKRZJJAFYRCLP-QWHCGFSZSA-N 1 1 306.362 2.604 20 5 DFBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000370415835 428207115 /nfs/dbraw/zinc/20/71/15/428207115.db2.gz PCUBWJICLJXJHX-MRXNPFEDSA-N 1 1 300.362 2.974 20 5 DFBDMO CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000346571642 428221511 /nfs/dbraw/zinc/22/15/11/428221511.db2.gz CYVJTGQTCAEHLV-UHFFFAOYSA-N 1 1 319.405 2.852 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341766030 428187274 /nfs/dbraw/zinc/18/72/74/428187274.db2.gz FAOXSOWQWNURGP-SWLSCSKDSA-N 1 1 305.378 2.646 20 5 DFBDMO Cc1occc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000414393189 428284435 /nfs/dbraw/zinc/28/44/35/428284435.db2.gz HENSLYZROADLBK-ZDUSSCGKSA-N 1 1 302.334 2.578 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000352779681 428244227 /nfs/dbraw/zinc/24/42/27/428244227.db2.gz QGHYPZDCTSYGNR-HNNXBMFYSA-N 1 1 320.389 2.994 20 5 DFBDMO CC(C)C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000370582083 428245716 /nfs/dbraw/zinc/24/57/16/428245716.db2.gz CKVRFWNMDANJKZ-UHFFFAOYSA-N 1 1 309.385 2.898 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000352780722 428246941 /nfs/dbraw/zinc/24/69/41/428246941.db2.gz VFCDKOGDAOCBHH-ZDUSSCGKSA-N 1 1 316.361 2.706 20 5 DFBDMO CC(C)[C@]1(CO)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000378128647 428315059 /nfs/dbraw/zinc/31/50/59/428315059.db2.gz KHNLSJLJDCBRNG-QQOXCAACSA-N 1 1 304.390 2.948 20 5 DFBDMO COC(=O)[C@]12C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000342149684 428322272 /nfs/dbraw/zinc/32/22/72/428322272.db2.gz GGOGUQFRQWKBSI-RHSMWYFYSA-N 1 1 318.373 2.760 20 5 DFBDMO COC(=O)[C@]12C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000342156912 428328316 /nfs/dbraw/zinc/32/83/16/428328316.db2.gz PVKIVDGHCCVTCH-IUODEOHRSA-N 1 1 324.402 2.822 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(CO)(c2ccccc2)C1 ZINC000414550164 428337980 /nfs/dbraw/zinc/33/79/80/428337980.db2.gz MUGAMLMSSFTUKP-UHFFFAOYSA-N 1 1 312.369 2.649 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCO)C3CCCCC3)nc2c1 ZINC000356879916 428344970 /nfs/dbraw/zinc/34/49/70/428344970.db2.gz RFEWXOJICNVGFZ-UHFFFAOYSA-N 1 1 318.377 2.598 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000371062994 428349374 /nfs/dbraw/zinc/34/93/74/428349374.db2.gz FSBMDMLJIWRVQK-HNNXBMFYSA-N 1 1 320.389 2.722 20 5 DFBDMO COc1ccc(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353008364 428349888 /nfs/dbraw/zinc/34/98/88/428349888.db2.gz RTKAHQQGBDVTCM-UHFFFAOYSA-N 1 1 313.357 2.599 20 5 DFBDMO Cc1[nH+]ccn1CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342352272 428413946 /nfs/dbraw/zinc/41/39/46/428413946.db2.gz UVQMDBPZODJSKP-UHFFFAOYSA-N 1 1 318.362 2.607 20 5 DFBDMO Cc1ccc([C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000371752950 428402573 /nfs/dbraw/zinc/40/25/73/428402573.db2.gz LMJGCKMVHYOFSN-CQSZACIVSA-N 1 1 300.362 2.626 20 5 DFBDMO Cc1c([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cnn1C ZINC000378328477 428366481 /nfs/dbraw/zinc/36/64/81/428366481.db2.gz BXZKKHYAVGBMBA-INIZCTEOSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1c([C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cnn1C ZINC000378328477 428366486 /nfs/dbraw/zinc/36/64/86/428366486.db2.gz BXZKKHYAVGBMBA-INIZCTEOSA-N 1 1 300.362 2.974 20 5 DFBDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353048606 428369722 /nfs/dbraw/zinc/36/97/22/428369722.db2.gz VJNITKNFMVXHTB-RISCZKNCSA-N 1 1 311.813 2.721 20 5 DFBDMO CNC(=O)C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000360780150 428435269 /nfs/dbraw/zinc/43/52/69/428435269.db2.gz DRJLRTHAXBHNHH-CYBMUJFWSA-N 1 1 319.386 2.623 20 5 DFBDMO O=C(C[N@@H+]1CC[C@@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000372338465 428430423 /nfs/dbraw/zinc/43/04/23/428430423.db2.gz IWENYMCFNXZEEB-LLVKDONJSA-N 1 1 323.780 2.919 20 5 DFBDMO O=C(C[N@H+]1CC[C@@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000372338465 428430431 /nfs/dbraw/zinc/43/04/31/428430431.db2.gz IWENYMCFNXZEEB-LLVKDONJSA-N 1 1 323.780 2.919 20 5 DFBDMO COc1cc(C[N@@H+]([C@@H](C)CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000347179675 428482253 /nfs/dbraw/zinc/48/22/53/428482253.db2.gz ZKUGKXJCUPWOOH-LBPRGKRZSA-N 1 1 308.378 2.729 20 5 DFBDMO COc1ccc(C[N@@H+]([C@H](C)CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000347197283 428488362 /nfs/dbraw/zinc/48/83/62/428488362.db2.gz LDZWBVRFSNJMGW-GFCCVEGCSA-N 1 1 308.378 2.729 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415037676 428495636 /nfs/dbraw/zinc/49/56/36/428495636.db2.gz HCLOIWQHWHVHFS-PBHICJAKSA-N 1 1 303.406 2.867 20 5 DFBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000343076806 428518151 /nfs/dbraw/zinc/51/81/51/428518151.db2.gz MWNHNTOWHYGXHU-QWHCGFSZSA-N 1 1 305.378 2.588 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347267371 428520352 /nfs/dbraw/zinc/52/03/52/428520352.db2.gz PWFGXGIFYDVWBF-SNVBAGLBSA-N 1 1 312.345 2.586 20 5 DFBDMO C[C@@H]1[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000357300114 428471071 /nfs/dbraw/zinc/47/10/71/428471071.db2.gz DVRLXZAWCOORQQ-ZDUSSCGKSA-N 1 1 308.378 2.863 20 5 DFBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000361014533 428530523 /nfs/dbraw/zinc/53/05/23/428530523.db2.gz NSIOLQJKRJFFPU-GFCCVEGCSA-N 1 1 318.402 2.935 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)CC[C@H]1C ZINC000353450993 428543188 /nfs/dbraw/zinc/54/31/88/428543188.db2.gz VHHWNAGJNWITDZ-CYBMUJFWSA-N 1 1 307.394 2.520 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353463221 428548727 /nfs/dbraw/zinc/54/87/27/428548727.db2.gz WHKGUCZKSURXCT-STQMWFEESA-N 1 1 319.405 2.883 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353463221 428548730 /nfs/dbraw/zinc/54/87/30/428548730.db2.gz WHKGUCZKSURXCT-STQMWFEESA-N 1 1 319.405 2.883 20 5 DFBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCC1 ZINC000343741746 428570702 /nfs/dbraw/zinc/57/07/02/428570702.db2.gz GOZOTTDJRWJBCG-UHFFFAOYSA-N 1 1 319.361 2.767 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344014261 428606053 /nfs/dbraw/zinc/60/60/53/428606053.db2.gz WKRFKCXPCLQVCQ-DGCLKSJQSA-N 1 1 303.362 2.654 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)CC1(C)C ZINC000347582422 428612044 /nfs/dbraw/zinc/61/20/44/428612044.db2.gz FFGRZJOADZWBCR-UHFFFAOYSA-N 1 1 321.421 2.908 20 5 DFBDMO COc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000268795073 274096990 /nfs/dbraw/zinc/09/69/90/274096990.db2.gz BLHDJZBTWHKNCS-DGCLKSJQSA-N 1 1 323.368 2.663 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000408348606 428644646 /nfs/dbraw/zinc/64/46/46/428644646.db2.gz IRUDJVIFNFNTOT-JKIFEVAISA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000408348606 428644652 /nfs/dbraw/zinc/64/46/52/428644652.db2.gz IRUDJVIFNFNTOT-JKIFEVAISA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000245898763 274303551 /nfs/dbraw/zinc/30/35/51/274303551.db2.gz KVLCOVJMNNAQFX-XJKCOSOUSA-N 1 1 317.389 2.678 20 5 DFBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000302539870 274351977 /nfs/dbraw/zinc/35/19/77/274351977.db2.gz SJCOWZLBEHDHTH-JKIFEVAISA-N 1 1 319.405 2.673 20 5 DFBDMO C[C@@H]1C[C@@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000286025425 274386747 /nfs/dbraw/zinc/38/67/47/274386747.db2.gz ARCGKADGBKZMFB-ZJUUUORDSA-N 1 1 321.406 2.518 20 5 DFBDMO 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ZINC000375328511 428856834 /nfs/dbraw/zinc/85/68/34/428856834.db2.gz NXQOYASVNMPMAQ-TZMCWYRMSA-N 1 1 301.350 2.503 20 5 DFBDMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000363114907 428861706 /nfs/dbraw/zinc/86/17/06/428861706.db2.gz UZRPKZZULQUDMC-AWEZNQCLSA-N 1 1 316.361 2.674 20 5 DFBDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000363114907 428861712 /nfs/dbraw/zinc/86/17/12/428861712.db2.gz UZRPKZZULQUDMC-AWEZNQCLSA-N 1 1 316.361 2.674 20 5 DFBDMO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354101654 428862091 /nfs/dbraw/zinc/86/20/91/428862091.db2.gz VOZOTCBXBQJUEI-QGZVFWFLSA-N 1 1 321.421 2.528 20 5 DFBDMO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354101654 428862097 /nfs/dbraw/zinc/86/20/97/428862097.db2.gz VOZOTCBXBQJUEI-QGZVFWFLSA-N 1 1 321.421 2.528 20 5 DFBDMO COc1ccc(C[N@H+](CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000348894179 428869352 /nfs/dbraw/zinc/86/93/52/428869352.db2.gz NOQCTKGJJLZQBO-UHFFFAOYSA-N 1 1 309.410 2.623 20 5 DFBDMO COc1ccc(C[N@@H+](CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000348894179 428869356 /nfs/dbraw/zinc/86/93/56/428869356.db2.gz NOQCTKGJJLZQBO-UHFFFAOYSA-N 1 1 309.410 2.623 20 5 DFBDMO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363525834 428934679 /nfs/dbraw/zinc/93/46/79/428934679.db2.gz SQRHJIMOKHFYOV-INIZCTEOSA-N 1 1 317.389 2.572 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2[C@H]1O ZINC000375664770 428934768 /nfs/dbraw/zinc/93/47/68/428934768.db2.gz JOPJDMFSNIJKNZ-QZTJIDSGSA-N 1 1 312.369 2.727 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000363587436 428947522 /nfs/dbraw/zinc/94/75/22/428947522.db2.gz NOENDGMCNGPVOS-ILXRZTDVSA-N 1 1 319.405 2.896 20 5 DFBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375754680 428964135 /nfs/dbraw/zinc/96/41/35/428964135.db2.gz CQPRIWLEMMBKKI-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375766836 428965689 /nfs/dbraw/zinc/96/56/89/428965689.db2.gz YENOVPBRJUELEJ-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375766836 428965695 /nfs/dbraw/zinc/96/56/95/428965695.db2.gz YENOVPBRJUELEJ-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@]4(CCOC4)C3)nc2c1 ZINC000451909844 429016283 /nfs/dbraw/zinc/01/62/83/429016283.db2.gz XOINAPDTQYPJRQ-MRXNPFEDSA-N 1 1 317.345 2.739 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000451913531 429018768 /nfs/dbraw/zinc/01/87/68/429018768.db2.gz SUGYKSMDVNUBHR-AAEUAGOBSA-N 1 1 318.295 2.648 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000421747239 429025935 /nfs/dbraw/zinc/02/59/35/429025935.db2.gz BLZJFOQKUZUTNN-CQSZACIVSA-N 1 1 319.405 2.816 20 5 DFBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000375971567 429030284 /nfs/dbraw/zinc/03/02/84/429030284.db2.gz ALLHBVHPFQWCMM-MRXNPFEDSA-N 1 1 313.357 2.952 20 5 DFBDMO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000375793039 428975073 /nfs/dbraw/zinc/97/50/73/428975073.db2.gz NLNPSWIKGCILFQ-MRXNPFEDSA-N 1 1 315.377 2.640 20 5 DFBDMO Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000375793039 428975079 /nfs/dbraw/zinc/97/50/79/428975079.db2.gz NLNPSWIKGCILFQ-MRXNPFEDSA-N 1 1 315.377 2.640 20 5 DFBDMO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000375798527 428978952 /nfs/dbraw/zinc/97/89/52/428978952.db2.gz XQUYRSYNHZULTF-HNNXBMFYSA-N 1 1 315.377 2.640 20 5 DFBDMO Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000375798527 428978953 /nfs/dbraw/zinc/97/89/53/428978953.db2.gz XQUYRSYNHZULTF-HNNXBMFYSA-N 1 1 315.377 2.640 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000375817635 428986815 /nfs/dbraw/zinc/98/68/15/428986815.db2.gz UUUWJUWMWMGCNF-YPMHNXCESA-N 1 1 320.349 2.566 20 5 DFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCc1ccccc1F)CC2 ZINC000433251707 429014674 /nfs/dbraw/zinc/01/46/74/429014674.db2.gz HXRZFFSLPOOYMP-UHFFFAOYSA-N 1 1 301.321 2.730 20 5 DFBDMO C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000452006919 429038638 /nfs/dbraw/zinc/03/86/38/429038638.db2.gz MNKUMXWSOMXGOL-GFCCVEGCSA-N 1 1 305.378 2.821 20 5 DFBDMO O=[N+]([O-])c1c(NC[C@H]2CCCC[N@H+]2C2CC2)nc2sccn21 ZINC000433821569 429053312 /nfs/dbraw/zinc/05/33/12/429053312.db2.gz PLQWDKUAIPAMLI-LLVKDONJSA-N 1 1 321.406 2.733 20 5 DFBDMO CCOc1cc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000452119933 429063143 /nfs/dbraw/zinc/06/31/43/429063143.db2.gz QKEWGSTYCYZTSV-OAHLLOKOSA-N 1 1 321.421 2.908 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000452120434 429064465 /nfs/dbraw/zinc/06/44/65/429064465.db2.gz RFXQRVHLLNULBG-HNNXBMFYSA-N 1 1 307.394 2.518 20 5 DFBDMO COC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000434783184 429111334 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O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000320702344 275034330 /nfs/dbraw/zinc/03/43/30/275034330.db2.gz OJNPLAAWESYHKG-UWVGGRQHSA-N 1 1 319.390 2.638 20 5 DFBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000276582656 275034452 /nfs/dbraw/zinc/03/44/52/275034452.db2.gz IRXYOOXZTIDUIA-CQSZACIVSA-N 1 1 312.373 2.818 20 5 DFBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c(Cl)c1 ZINC000301367272 275041220 /nfs/dbraw/zinc/04/12/20/275041220.db2.gz RFXZAEUYBGDWRH-JKOKRWQUSA-N 1 1 322.796 2.564 20 5 DFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000488746588 429194381 /nfs/dbraw/zinc/19/43/81/429194381.db2.gz NKYYYPVJVBENQF-WDMOLILDSA-N 1 1 324.812 2.810 20 5 DFBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186726010 275399759 /nfs/dbraw/zinc/39/97/59/275399759.db2.gz RKPSBHFQOMNKGV-OUKQBFOZSA-N 1 1 317.389 2.551 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488762572 429197750 /nfs/dbraw/zinc/19/77/50/429197750.db2.gz DJYUIFNSMMJMDN-CHWSQXEVSA-N 1 1 308.378 2.585 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364441055 429204530 /nfs/dbraw/zinc/20/45/30/429204530.db2.gz JDMVGPHGFXRLEZ-MRXNPFEDSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364441055 429204532 /nfs/dbraw/zinc/20/45/32/429204532.db2.gz JDMVGPHGFXRLEZ-MRXNPFEDSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC1(C)C ZINC000489437451 429242156 /nfs/dbraw/zinc/24/21/56/429242156.db2.gz ZGMJWXPZCLAPKR-AWEZNQCLSA-N 1 1 305.378 2.962 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000456159754 429252254 /nfs/dbraw/zinc/25/22/54/429252254.db2.gz HCCJVJOQFLQPFN-AAEUAGOBSA-N 1 1 320.393 2.551 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2Cn2cccn2)cc1 ZINC000364742397 429260109 /nfs/dbraw/zinc/26/01/09/429260109.db2.gz KSVDINKGNCSMTM-KRWDZBQOSA-N 1 1 314.389 2.889 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425356007 429275227 /nfs/dbraw/zinc/27/52/27/429275227.db2.gz NAVLBZHKDWKHRT-YRBHFNIASA-N 1 1 313.361 2.606 20 5 DFBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000456339344 429278588 /nfs/dbraw/zinc/27/85/88/429278588.db2.gz CSHYFGOEVJSYLE-NSHDSACASA-N 1 1 311.407 2.521 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000456339344 429278593 /nfs/dbraw/zinc/27/85/93/429278593.db2.gz CSHYFGOEVJSYLE-NSHDSACASA-N 1 1 311.407 2.521 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000490165719 429280897 /nfs/dbraw/zinc/28/08/97/429280897.db2.gz PYAGUGXBOUJPHE-AWEZNQCLSA-N 1 1 308.378 2.599 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449082972 429327860 /nfs/dbraw/zinc/32/78/60/429327860.db2.gz RHIOFLPPLUBANN-UNEWFSDZSA-N 1 1 303.406 2.742 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000449082972 429327865 /nfs/dbraw/zinc/32/78/65/429327865.db2.gz RHIOFLPPLUBANN-UNEWFSDZSA-N 1 1 303.406 2.742 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449082969 429328006 /nfs/dbraw/zinc/32/80/06/429328006.db2.gz RHIOFLPPLUBANN-FRFSOERESA-N 1 1 303.406 2.742 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000449082969 429328009 /nfs/dbraw/zinc/32/80/09/429328009.db2.gz RHIOFLPPLUBANN-FRFSOERESA-N 1 1 303.406 2.742 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC12CCCC2 ZINC000365513864 429332461 /nfs/dbraw/zinc/33/24/61/429332461.db2.gz LPUBJEPKMWJMIM-CQSZACIVSA-N 1 1 320.389 2.743 20 5 DFBDMO Cc1cc(C2=CC[N@@H+](CCC(C)(C)O)CC2)cc([N+](=O)[O-])c1N ZINC000365887260 429395571 /nfs/dbraw/zinc/39/55/71/429395571.db2.gz VPCPQTDQBFOHBH-UHFFFAOYSA-N 1 1 319.405 2.736 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CO)[C@H]1CC ZINC000449421322 429410968 /nfs/dbraw/zinc/41/09/68/429410968.db2.gz LHIOBRJFLLFLSR-SWLSCSKDSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000517757815 429397632 /nfs/dbraw/zinc/39/76/32/429397632.db2.gz VVAYOMANOUMJJK-UONOGXRCSA-N 1 1 317.389 2.520 20 5 DFBDMO COCC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426511054 429398574 /nfs/dbraw/zinc/39/85/74/429398574.db2.gz YEBWNHBDQUPXJC-QXSWTLKVSA-N 1 1 320.389 2.735 20 5 DFBDMO Cn1ccnc1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000365631406 429354311 /nfs/dbraw/zinc/35/43/11/429354311.db2.gz QQDGSXFRRYVHMA-HNNXBMFYSA-N 1 1 314.389 2.750 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000514743436 429370715 /nfs/dbraw/zinc/37/07/15/429370715.db2.gz QVMWCZIFOBYTNF-SNVBAGLBSA-N 1 1 315.320 2.727 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CCO ZINC000426230175 429374306 /nfs/dbraw/zinc/37/43/06/429374306.db2.gz KFYNYLAHALQFQX-AWEZNQCLSA-N 1 1 308.378 2.729 20 5 DFBDMO CC[N@@H+](CCNc1nccc(C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000491575380 429377150 /nfs/dbraw/zinc/37/71/50/429377150.db2.gz ZWSLCUHKYBRANI-UHFFFAOYSA-N 1 1 320.315 2.984 20 5 DFBDMO Cn1nccc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506158 429438691 /nfs/dbraw/zinc/43/86/91/429438691.db2.gz YLHVBRRFOWSPHM-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448669 429454079 /nfs/dbraw/zinc/45/40/79/429454079.db2.gz DFXVXIWPALDABA-RHSMWYFYSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448669 429454085 /nfs/dbraw/zinc/45/40/85/429454085.db2.gz DFXVXIWPALDABA-RHSMWYFYSA-N 1 1 320.389 2.673 20 5 DFBDMO CCCc1ncc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000449613287 429461222 /nfs/dbraw/zinc/46/12/22/429461222.db2.gz RJPFJPMGWFXYGO-UHFFFAOYSA-N 1 1 305.334 2.834 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000449676375 429475945 /nfs/dbraw/zinc/47/59/45/429475945.db2.gz GRPWZRSJVNYXGD-CZUORRHYSA-N 1 1 322.405 2.690 20 5 DFBDMO C[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519806670 429489783 /nfs/dbraw/zinc/48/97/83/429489783.db2.gz XPEKFSINBBNGGA-ZIAGYGMSSA-N 1 1 319.405 2.546 20 5 DFBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000449770697 429505508 /nfs/dbraw/zinc/50/55/08/429505508.db2.gz DNSWPULUXGGVCR-ZDUSSCGKSA-N 1 1 308.378 2.852 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000520340787 429509712 /nfs/dbraw/zinc/50/97/12/429509712.db2.gz BVUKBJFJYBOSFG-CQSZACIVSA-N 1 1 308.403 2.801 20 5 DFBDMO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000366784142 429515044 /nfs/dbraw/zinc/51/50/44/429515044.db2.gz DDKGMAUVVHKVNC-KEYYUXOJSA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000366784142 429515048 /nfs/dbraw/zinc/51/50/48/429515048.db2.gz DDKGMAUVVHKVNC-KEYYUXOJSA-N 1 1 320.389 2.753 20 5 DFBDMO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000428414244 429516829 /nfs/dbraw/zinc/51/68/29/429516829.db2.gz ORZDQBTVIRBSHT-VGVVRCBHSA-N 1 1 318.295 2.853 20 5 DFBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000428414244 429516833 /nfs/dbraw/zinc/51/68/33/429516833.db2.gz ORZDQBTVIRBSHT-VGVVRCBHSA-N 1 1 318.295 2.853 20 5 DFBDMO CC[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000428436316 429519065 /nfs/dbraw/zinc/51/90/65/429519065.db2.gz PVQQEDPPVHJRPC-AWEZNQCLSA-N 1 1 316.304 2.543 20 5 DFBDMO CC[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000428436316 429519069 /nfs/dbraw/zinc/51/90/69/429519069.db2.gz PVQQEDPPVHJRPC-AWEZNQCLSA-N 1 1 316.304 2.543 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000428457736 429524389 /nfs/dbraw/zinc/52/43/89/429524389.db2.gz MZSILEQJTJUKPM-WCQYABFASA-N 1 1 306.362 2.986 20 5 DFBDMO Cc1cnc([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000428941360 429562158 /nfs/dbraw/zinc/56/21/58/429562158.db2.gz VHKLDFPABSEVQY-ZDUSSCGKSA-N 1 1 300.362 2.929 20 5 DFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000428995871 429569581 /nfs/dbraw/zinc/56/95/81/429569581.db2.gz QVHJPHYTHJMSDS-IGCXYCKISA-N 1 1 321.396 2.896 20 5 DFBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004328 429572079 /nfs/dbraw/zinc/57/20/79/429572079.db2.gz FINXYGVHPIVNNF-CKEIUWERSA-N 1 1 303.406 2.757 20 5 DFBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429035346 429577000 /nfs/dbraw/zinc/57/70/00/429577000.db2.gz LQESGOSDBQWBIK-PBFPGSCMSA-N 1 1 321.396 2.896 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429574787 429619037 /nfs/dbraw/zinc/61/90/37/429619037.db2.gz BHCKSDFRLYADTQ-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO C[N@@H+](CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC1 ZINC000450279847 429593170 /nfs/dbraw/zinc/59/31/70/429593170.db2.gz YOCHOXRGXPXTRD-UHFFFAOYSA-N 1 1 318.402 3.224 20 5 DFBDMO Cc1c(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000522862379 429598117 /nfs/dbraw/zinc/59/81/17/429598117.db2.gz UEQPLWUXVJUYOK-CYBMUJFWSA-N 1 1 320.393 2.755 20 5 DFBDMO Cc1c([C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000367256689 429604878 /nfs/dbraw/zinc/60/48/78/429604878.db2.gz ZWLLQFGPDMTGEU-MRXNPFEDSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1c([C@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000367256689 429604881 /nfs/dbraw/zinc/60/48/81/429604881.db2.gz ZWLLQFGPDMTGEU-MRXNPFEDSA-N 1 1 300.362 2.974 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000430137961 429657102 /nfs/dbraw/zinc/65/71/02/429657102.db2.gz XFAPQIYWVVJVRW-HOCLYGCPSA-N 1 1 320.389 2.923 20 5 DFBDMO CCC[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000430143176 429657473 /nfs/dbraw/zinc/65/74/73/429657473.db2.gz BHEGEVLICFNGOP-UHFFFAOYSA-N 1 1 317.345 2.552 20 5 DFBDMO CCC[N@@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000430143176 429657477 /nfs/dbraw/zinc/65/74/77/429657477.db2.gz BHEGEVLICFNGOP-UHFFFAOYSA-N 1 1 317.345 2.552 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CCCC[N@@H+]1CCO ZINC000450613679 429661530 /nfs/dbraw/zinc/66/15/30/429661530.db2.gz MEVQYJWOEXOBKT-GFCCVEGCSA-N 1 1 313.785 2.507 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000430195616 429661735 /nfs/dbraw/zinc/66/17/35/429661735.db2.gz OPDXWBRHTMZZIF-SLEUVZQESA-N 1 1 308.378 2.585 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000430227909 429666022 /nfs/dbraw/zinc/66/60/22/429666022.db2.gz CPMUEZGHBKVGFV-GXTWGEPZSA-N 1 1 308.378 2.729 20 5 DFBDMO CC(C)c1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000194538359 276053296 /nfs/dbraw/zinc/05/32/96/276053296.db2.gz WYAJETLTIUEXON-GASCZTMLSA-N 1 1 303.406 2.712 20 5 DFBDMO CN1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000367553660 429670299 /nfs/dbraw/zinc/67/02/99/429670299.db2.gz QGOKBMBKSFQUSE-YESZJQIVSA-N 1 1 303.406 2.600 20 5 DFBDMO C[N@@H+](CCCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000493021355 429670526 /nfs/dbraw/zinc/67/05/26/429670526.db2.gz MEWLIUMCNRXLBD-FLIBITNWSA-N 1 1 317.389 2.599 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330713883 276204134 /nfs/dbraw/zinc/20/41/34/276204134.db2.gz ABKWFPBJDQQIFJ-UONOGXRCSA-N 1 1 319.405 2.955 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000269395117 276214452 /nfs/dbraw/zinc/21/44/52/276214452.db2.gz SVHSEMFTVKFSKZ-CMPLNLGQSA-N 1 1 312.801 2.810 20 5 DFBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000367701066 429702831 /nfs/dbraw/zinc/70/28/31/429702831.db2.gz KBAHEEIWYDSVCI-NSHDSACASA-N 1 1 320.780 2.971 20 5 DFBDMO CC(C)[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000432151613 429805316 /nfs/dbraw/zinc/80/53/16/429805316.db2.gz GZWDVKXMEFZUQO-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000367944870 429749628 /nfs/dbraw/zinc/74/96/28/429749628.db2.gz NGDRHMITFIPTCN-LBPRGKRZSA-N 1 1 314.345 2.905 20 5 DFBDMO COc1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000487055103 429763201 /nfs/dbraw/zinc/76/32/01/429763201.db2.gz AABIFECFTCZQEJ-CQSZACIVSA-N 1 1 311.357 2.519 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451413879 429823999 /nfs/dbraw/zinc/82/39/99/429823999.db2.gz HRFNQDJLAOZPAG-SGIREYDYSA-N 1 1 308.353 2.859 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451423524 429828096 /nfs/dbraw/zinc/82/80/96/429828096.db2.gz RYBHEWSXOSHOCS-FMKPAKJESA-N 1 1 320.389 2.599 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000493846046 429839509 /nfs/dbraw/zinc/83/95/09/429839509.db2.gz CEMCLHWFEATLDJ-YXMGTMDOSA-N 1 1 317.389 2.549 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451521111 429839939 /nfs/dbraw/zinc/83/99/39/429839939.db2.gz CUJCBMNEWWJQNO-CZUORRHYSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000493846043 429839987 /nfs/dbraw/zinc/83/99/87/429839987.db2.gz CEMCLHWFEATLDJ-FSNWXROXSA-N 1 1 317.389 2.549 20 5 DFBDMO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544016 429847008 /nfs/dbraw/zinc/84/70/08/429847008.db2.gz CZGVVWSIZSOJGN-CQSZACIVSA-N 1 1 319.405 2.689 20 5 DFBDMO CCN(C)C(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548740 429850351 /nfs/dbraw/zinc/85/03/51/429850351.db2.gz OFICDFMAJCWDSA-HNNXBMFYSA-N 1 1 319.405 2.643 20 5 DFBDMO Cc1c(NC(=O)[C@@H]2CCCc3[nH+]ccn32)cccc1[N+](=O)[O-] ZINC000368239901 429814364 /nfs/dbraw/zinc/81/43/64/429814364.db2.gz JIBJVJLQJSZLLN-ZDUSSCGKSA-N 1 1 300.318 2.616 20 5 DFBDMO COCC[N@@H+](C)CCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000432333242 429814345 /nfs/dbraw/zinc/81/43/45/429814345.db2.gz ATXCODDAABICQH-UHFFFAOYSA-N 1 1 301.774 2.628 20 5 DFBDMO Cc1cc(C2=CC[N@@H+](C[C@H](O)C(C)C)CC2)cc([N+](=O)[O-])c1N ZINC000368636406 429881975 /nfs/dbraw/zinc/88/19/75/429881975.db2.gz IAPNCJBAYANPBO-INIZCTEOSA-N 1 1 319.405 2.591 20 5 DFBDMO Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000368690958 429887445 /nfs/dbraw/zinc/88/74/45/429887445.db2.gz YAYUFATVOWWTIA-HZPDHXFCSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000368694099 429888765 /nfs/dbraw/zinc/88/87/65/429888765.db2.gz KVXRVMIKGSMPDG-ZDUSSCGKSA-N 1 1 321.768 2.504 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000368694099 429888766 /nfs/dbraw/zinc/88/87/66/429888766.db2.gz KVXRVMIKGSMPDG-ZDUSSCGKSA-N 1 1 321.768 2.504 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368874045 429899580 /nfs/dbraw/zinc/89/95/80/429899580.db2.gz CAWOZLJRBKNEAK-HFPBVCCTSA-N 1 1 301.390 2.824 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368874045 429899582 /nfs/dbraw/zinc/89/95/82/429899582.db2.gz CAWOZLJRBKNEAK-HFPBVCCTSA-N 1 1 301.390 2.824 20 5 DFBDMO C[C@H]1CSc2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000369011540 429907237 /nfs/dbraw/zinc/90/72/37/429907237.db2.gz UPHUWIQWELZZDB-LBPRGKRZSA-N 1 1 318.402 2.788 20 5 DFBDMO CCC[N@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000369335151 429924993 /nfs/dbraw/zinc/92/49/93/429924993.db2.gz MZAJRDBKYPHFFE-RMKNXTFCSA-N 1 1 317.389 2.552 20 5 DFBDMO Cc1[nH+]c(CNCc2cccc([N+](=O)[O-])c2)c2n1CCCC2 ZINC000369429415 429943601 /nfs/dbraw/zinc/94/36/01/429943601.db2.gz VUVVKASALNGXLX-UHFFFAOYSA-N 1 1 300.362 2.726 20 5 DFBDMO COc1ccc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000369459075 429949813 /nfs/dbraw/zinc/94/98/13/429949813.db2.gz UGFSVHHKRCRENS-BBRMVZONSA-N 1 1 306.362 2.747 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000369471655 429952435 /nfs/dbraw/zinc/95/24/35/429952435.db2.gz OYCGQJQIQCYUBE-HIFRSBDPSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(F)F ZINC000559887246 430015306 /nfs/dbraw/zinc/01/53/06/430015306.db2.gz XZOGMQCVFJHGJJ-SECBINFHSA-N 1 1 301.293 2.557 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000581026469 430172249 /nfs/dbraw/zinc/17/22/49/430172249.db2.gz DNURRPFLVQRMBB-CHWSQXEVSA-N 1 1 308.378 2.586 20 5 DFBDMO C[N@H+]1CCCC12CCN(c1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000408449235 277042627 /nfs/dbraw/zinc/04/26/27/277042627.db2.gz FGHKACVCDKLIJL-UHFFFAOYSA-N 1 1 315.377 2.536 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000269377556 277070446 /nfs/dbraw/zinc/07/04/46/277070446.db2.gz OCLSNUSODFWJQX-ZYHUDNBSSA-N 1 1 310.785 2.564 20 5 DFBDMO CC(=O)c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268860475 277111630 /nfs/dbraw/zinc/11/16/30/277111630.db2.gz RIYHCKXKGDMGOO-HUUCEWRRSA-N 1 1 317.389 2.718 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000366440535 277160738 /nfs/dbraw/zinc/16/07/38/277160738.db2.gz CJXJTHWVWRCBOU-OAHLLOKOSA-N 1 1 309.797 2.776 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC000292367556 277161148 /nfs/dbraw/zinc/16/11/48/277161148.db2.gz RSPFCOHCLAXXGK-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC000373709912 277178889 /nfs/dbraw/zinc/17/88/89/277178889.db2.gz BQKKUMWJLNNURS-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000377837917 277199933 /nfs/dbraw/zinc/19/99/33/277199933.db2.gz SPIZBMHDKQSHRQ-BFYDXBDKSA-N 1 1 324.384 2.729 20 5 DFBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)C ZINC000073616766 277217663 /nfs/dbraw/zinc/21/76/63/277217663.db2.gz OFBYFBSPZRMDPZ-UHFFFAOYSA-N 1 1 324.377 2.566 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000581402525 430204528 /nfs/dbraw/zinc/20/45/28/430204528.db2.gz QMXQQPQXWRSUEL-GFCCVEGCSA-N 1 1 323.393 2.914 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000301721079 277379893 /nfs/dbraw/zinc/37/98/93/277379893.db2.gz QFNZMPJWEYCKMF-BXUZGUMPSA-N 1 1 323.368 2.663 20 5 DFBDMO COc1cc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c([N+](=O)[O-])cc1F ZINC000565877181 430232431 /nfs/dbraw/zinc/23/24/31/430232431.db2.gz IHURFRWSPLSRFY-OAHLLOKOSA-N 1 1 324.352 2.622 20 5 DFBDMO COc1cc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)c([N+](=O)[O-])cc1F ZINC000565877181 430232436 /nfs/dbraw/zinc/23/24/36/430232436.db2.gz IHURFRWSPLSRFY-OAHLLOKOSA-N 1 1 324.352 2.622 20 5 DFBDMO C[N@H+]1CCC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000582782185 430333886 /nfs/dbraw/zinc/33/38/86/430333886.db2.gz PBVACNPDNJKCMJ-GFCCVEGCSA-N 1 1 304.394 2.622 20 5 DFBDMO CCCC[C@H](C(=O)OC)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000569005907 430414011 /nfs/dbraw/zinc/41/40/11/430414011.db2.gz JUTFRJNLKBHOER-OAHLLOKOSA-N 1 1 308.378 2.801 20 5 DFBDMO CCCC[C@H](C(=O)OC)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000569005907 430414015 /nfs/dbraw/zinc/41/40/15/430414015.db2.gz JUTFRJNLKBHOER-OAHLLOKOSA-N 1 1 308.378 2.801 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(C[NH3+])cc1 ZINC000583322169 430383988 /nfs/dbraw/zinc/38/39/88/430383988.db2.gz WKJHLJNNHLEBBK-UHFFFAOYSA-N 1 1 315.373 2.742 20 5 DFBDMO C[N@H+]1CCCC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000599137765 430527288 /nfs/dbraw/zinc/52/72/88/430527288.db2.gz CVGTXSKFRPKDBQ-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DFBDMO Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000599126420 430527360 /nfs/dbraw/zinc/52/73/60/430527360.db2.gz GXSVKLBPHDXRTK-AWEZNQCLSA-N 1 1 304.394 3.117 20 5 DFBDMO CCC[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000555165821 430660291 /nfs/dbraw/zinc/66/02/91/430660291.db2.gz OXWKYUVRRVFLDF-HNNXBMFYSA-N 1 1 321.421 2.840 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000370057670 279384639 /nfs/dbraw/zinc/38/46/39/279384639.db2.gz ZHDYZLJZXOLTQC-HNNXBMFYSA-N 1 1 314.389 2.926 20 5 DFBDMO Cc1c(C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000368839658 280226165 /nfs/dbraw/zinc/22/61/65/280226165.db2.gz XOJHNVUHACMHBW-RCBQFDQVSA-N 1 1 317.389 2.522 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000277943724 281257669 /nfs/dbraw/zinc/25/76/69/281257669.db2.gz OGEXUGLCUUUGAG-OCCSQVGLSA-N 1 1 319.405 2.753 20 5 DFBDMO CC[N@@H+](CC(C)C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000153739297 289057842 /nfs/dbraw/zinc/05/78/42/289057842.db2.gz HXKWPSRLXBRJTI-GFCCVEGCSA-N 1 1 323.393 2.908 20 5 DFBDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363407275 289088997 /nfs/dbraw/zinc/08/89/97/289088997.db2.gz VNXSSWZVGVSKHO-OLZOCXBDSA-N 1 1 318.377 2.652 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c(F)c1 ZINC000437973226 297076227 /nfs/dbraw/zinc/07/62/27/297076227.db2.gz GCHPSYZLUMODGS-AWEZNQCLSA-N 1 1 304.325 2.595 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438482309 297094707 /nfs/dbraw/zinc/09/47/07/297094707.db2.gz XWHSTGMOQMFKFW-CYBMUJFWSA-N 1 1 305.378 2.820 20 5 DFBDMO CC(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438488681 297095342 /nfs/dbraw/zinc/09/53/42/297095342.db2.gz HRQHDBOYRMUTIO-CHWSQXEVSA-N 1 1 305.378 2.900 20 5 DFBDMO CC(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000438513532 297096661 /nfs/dbraw/zinc/09/66/61/297096661.db2.gz ZXPYNXLPMLVMMB-CHWSQXEVSA-N 1 1 305.378 2.900 20 5 DFBDMO CC[C@]1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000442893843 297210648 /nfs/dbraw/zinc/21/06/48/297210648.db2.gz YEZVACPKXKOLJI-MRXNPFEDSA-N 1 1 308.378 2.865 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000443954523 297228981 /nfs/dbraw/zinc/22/89/81/297228981.db2.gz CSEQEBLNFCIIQT-YPMHNXCESA-N 1 1 320.393 2.816 20 5 DFBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H](C)O1 ZINC000446078754 297274702 /nfs/dbraw/zinc/27/47/02/297274702.db2.gz HYGOSBINAGTOJU-RDBSUJKOSA-N 1 1 308.378 2.861 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc4c[nH]nc4c3)nc2c1 ZINC000446842747 297288447 /nfs/dbraw/zinc/28/84/47/297288447.db2.gz YABKNNBTUVZBJH-UHFFFAOYSA-N 1 1 322.328 2.637 20 5 DFBDMO Cc1c[nH+]ccc1OC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000447682049 297313137 /nfs/dbraw/zinc/31/31/37/297313137.db2.gz VAEBMKMOQCEONL-UHFFFAOYSA-N 1 1 314.345 2.741 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447692672 297313477 /nfs/dbraw/zinc/31/34/77/297313477.db2.gz HJVANRIPKISEPT-YGRLFVJLSA-N 1 1 303.366 2.612 20 5 DFBDMO Cc1csc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000451103000 297748666 /nfs/dbraw/zinc/74/86/66/297748666.db2.gz LVQXEGRQXMYFPH-JTQLQIEISA-N 1 1 320.374 2.649 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CF)CC1 ZINC000451388804 297799993 /nfs/dbraw/zinc/79/99/93/297799993.db2.gz MPSITYYDJZLYHR-NSHDSACASA-N 1 1 309.341 2.603 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000454349460 298159891 /nfs/dbraw/zinc/15/98/91/298159891.db2.gz AODZSEWTMVUQEU-AWEZNQCLSA-N 1 1 306.366 2.541 20 5 DFBDMO C[N@@H+](CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000454372661 298164034 /nfs/dbraw/zinc/16/40/34/298164034.db2.gz ZTJPPMIOGFVZMJ-UHFFFAOYSA-N 1 1 324.356 2.730 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454976418 298275704 /nfs/dbraw/zinc/27/57/04/298275704.db2.gz PYPNANQBIKIHKJ-STQMWFEESA-N 1 1 322.409 2.684 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000516908247 300368151 /nfs/dbraw/zinc/36/81/51/300368151.db2.gz ZXCRWXMSHXOWSF-SNVBAGLBSA-N 1 1 321.406 2.520 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000517176933 300385863 /nfs/dbraw/zinc/38/58/63/300385863.db2.gz URIPZEYUNJLCQV-INIZCTEOSA-N 1 1 305.378 2.526 20 5 DFBDMO CCc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000530835576 301067898 /nfs/dbraw/zinc/06/78/98/301067898.db2.gz NNIJXQNTJZYEEM-CYBMUJFWSA-N 1 1 319.405 2.617 20 5 DFBDMO COc1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000532934372 301178527 /nfs/dbraw/zinc/17/85/27/301178527.db2.gz DWIUCHLJMHMEJP-UHFFFAOYSA-N 1 1 302.330 2.941 20 5 DFBDMO COc1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000532934372 301178529 /nfs/dbraw/zinc/17/85/29/301178529.db2.gz DWIUCHLJMHMEJP-UHFFFAOYSA-N 1 1 302.330 2.941 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000532971903 301179327 /nfs/dbraw/zinc/17/93/27/301179327.db2.gz MXFGQOBJMMZJEP-VXGBXAGGSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000539507218 301343804 /nfs/dbraw/zinc/34/38/04/301343804.db2.gz GOSSFMRENFXRTP-GFCCVEGCSA-N 1 1 315.377 2.610 20 5 DFBDMO CCn1cc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000539828038 301351234 /nfs/dbraw/zinc/35/12/34/301351234.db2.gz CPXORVCVPSKYJN-VURMDHGXSA-N 1 1 300.362 2.956 20 5 DFBDMO CCn1cc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000539828038 301351237 /nfs/dbraw/zinc/35/12/37/301351237.db2.gz CPXORVCVPSKYJN-VURMDHGXSA-N 1 1 300.362 2.956 20 5 DFBDMO C[N@H+]1CCC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000563305203 302060716 /nfs/dbraw/zinc/06/07/16/302060716.db2.gz OKQVXONCOBRCGN-GFCCVEGCSA-N 1 1 300.362 2.897 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000564156436 302121194 /nfs/dbraw/zinc/12/11/94/302121194.db2.gz VHMLXGSHLKPCTA-OAHLLOKOSA-N 1 1 313.357 2.858 20 5 DFBDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000565990324 302251637 /nfs/dbraw/zinc/25/16/37/302251637.db2.gz NHJUGGXNBYHYHC-NSHDSACASA-N 1 1 315.329 2.627 20 5 DFBDMO CC[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181892735 316076227 /nfs/dbraw/zinc/07/62/27/316076227.db2.gz VAGKWXXMMZJUKN-CABCVRRESA-N 1 1 322.405 2.847 20 5 DFBDMO CCOC(=O)C[C@H](C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000183182470 316133309 /nfs/dbraw/zinc/13/33/09/316133309.db2.gz YYQNVRZPZQYJSX-XOVSCCBYSA-N 1 1 306.362 2.882 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000268999089 316229794 /nfs/dbraw/zinc/22/97/94/316229794.db2.gz OPMLUXIZKRSFRM-BBRMVZONSA-N 1 1 308.353 2.861 20 5 DFBDMO CON1CCC([N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000453614864 317193831 /nfs/dbraw/zinc/19/38/31/317193831.db2.gz FEQRYBZHYXVPCQ-KAMYIIQDSA-N 1 1 319.405 2.956 20 5 DFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCc3cn[nH]c3)C2)cc1 ZINC000459502995 317325959 /nfs/dbraw/zinc/32/59/59/317325959.db2.gz GEYKDZCMUCHYHN-OAHLLOKOSA-N 1 1 300.362 2.740 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488112902 317368402 /nfs/dbraw/zinc/36/84/02/317368402.db2.gz IYTNHHICJBZGRH-ZDUSSCGKSA-N 1 1 314.389 2.709 20 5 DFBDMO Cn1cncc1CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000575192390 318069617 /nfs/dbraw/zinc/06/96/17/318069617.db2.gz AIMRHZIXPWVVFP-UHFFFAOYSA-N 1 1 314.389 2.926 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CN1CCCCC1 ZINC000576241831 318113865 /nfs/dbraw/zinc/11/38/65/318113865.db2.gz GXWAUDMSLHZMLC-CQSZACIVSA-N 1 1 321.421 2.958 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000577815527 318217996 /nfs/dbraw/zinc/21/79/96/318217996.db2.gz XOCIJNJLGQCDEK-DZGCQCFKSA-N 1 1 319.405 2.687 20 5 DFBDMO C[C@H]1CCC[N@H+](CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578667108 318277205 /nfs/dbraw/zinc/27/72/05/318277205.db2.gz GZIYJUSMBTVDLV-BBRMVZONSA-N 1 1 303.406 2.904 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578667108 318277208 /nfs/dbraw/zinc/27/72/08/318277208.db2.gz GZIYJUSMBTVDLV-BBRMVZONSA-N 1 1 303.406 2.904 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579070653 318304400 /nfs/dbraw/zinc/30/44/00/318304400.db2.gz WLKWJEFWMBXKML-ZDUSSCGKSA-N 1 1 307.394 2.545 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000389805088 323338621 /nfs/dbraw/zinc/33/86/21/323338621.db2.gz AFUPIEXAJNGLPW-CZUORRHYSA-N 1 1 312.373 2.922 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000584540367 337359728 /nfs/dbraw/zinc/35/97/28/337359728.db2.gz WKMLBBPTBBKLNC-CYBMUJFWSA-N 1 1 323.393 2.516 20 5 DFBDMO Cc1ccc(C)n1C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331981990 533724984 /nfs/dbraw/zinc/72/49/84/533724984.db2.gz WKFUEDCZZCCEHY-UHFFFAOYSA-N 1 1 317.393 2.584 20 5 DFBDMO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000321972900 533825274 /nfs/dbraw/zinc/82/52/74/533825274.db2.gz KUVRLEFUWFUTKW-ZDUSSCGKSA-N 1 1 313.357 2.562 20 5 DFBDMO Cc1c(C[N@@H+](CCO)[C@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000331275666 533844643 /nfs/dbraw/zinc/84/46/43/533844643.db2.gz XOVLGKGLDLQZLQ-AWEZNQCLSA-N 1 1 310.419 2.593 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000365190536 520700074 /nfs/dbraw/zinc/70/00/74/520700074.db2.gz OXIURBNITMWUHW-HUUCEWRRSA-N 1 1 320.389 2.852 20 5 DFBDMO COC[C@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000364151384 522818868 /nfs/dbraw/zinc/81/88/68/522818868.db2.gz RSOJWVHGJWUKNX-LBPRGKRZSA-N 1 1 319.361 2.985 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000330866186 526673739 /nfs/dbraw/zinc/67/37/39/526673739.db2.gz RSTKRPLFMDQRJX-UKRRQHHQSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000330866186 526673743 /nfs/dbraw/zinc/67/37/43/526673743.db2.gz RSTKRPLFMDQRJX-UKRRQHHQSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000294790356 527231147 /nfs/dbraw/zinc/23/11/47/527231147.db2.gz LXHSMTVFFWHFGJ-CYBMUJFWSA-N 1 1 319.405 2.708 20 5 DFBDMO CC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000295915610 527315336 /nfs/dbraw/zinc/31/53/36/527315336.db2.gz FZCCJNBNPHZZIR-AGUYFDCRSA-N 1 1 303.362 2.835 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3ncccc3C2)cc1 ZINC000366420247 527370940 /nfs/dbraw/zinc/37/09/40/527370940.db2.gz CPDQPHQFVSSSPN-UHFFFAOYSA-N 1 1 313.357 2.817 20 5 DFBDMO CC(C)[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000299224910 527782997 /nfs/dbraw/zinc/78/29/97/527782997.db2.gz NIJMSWNKUOEHEW-OAHLLOKOSA-N 1 1 305.378 2.678 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302036717 527987053 /nfs/dbraw/zinc/98/70/53/527987053.db2.gz MDXPNBQRLQXENQ-AWEZNQCLSA-N 1 1 307.394 2.619 20 5 DFBDMO CCOc1cc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301966846 528314757 /nfs/dbraw/zinc/31/47/57/528314757.db2.gz VXSSJSFEXNXEBZ-OCCSQVGLSA-N 1 1 305.378 2.666 20 5 DFBDMO CC[N@@H+](CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 ZINC000318582116 528518491 /nfs/dbraw/zinc/51/84/91/528518491.db2.gz CIWGXKDNGTYEFO-UHFFFAOYSA-N 1 1 318.299 2.905 20 5 DFBDMO CC/C=C/CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293327695 528769572 /nfs/dbraw/zinc/76/95/72/528769572.db2.gz XWVQHCMLGZXFCU-ONEGZZNKSA-N 1 1 317.389 2.709 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000360989210 535263867 /nfs/dbraw/zinc/26/38/67/535263867.db2.gz AWNWJXRSTXAVHI-AWEZNQCLSA-N 1 1 319.405 2.966 20 5 DFBDMO COc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000358026496 536898530 /nfs/dbraw/zinc/89/85/30/536898530.db2.gz QITLSYOTZWFKHI-CYBMUJFWSA-N 1 1 318.304 2.966 20 5 DFBDMO COCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083172158 185215823 /nfs/dbraw/zinc/21/58/23/185215823.db2.gz UNDZSPIOMHTVGX-UHFFFAOYSA-N 1 1 305.334 2.594 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591901133 398347651 /nfs/dbraw/zinc/34/76/51/398347651.db2.gz QEAJGQDYVHTJPE-CYBMUJFWSA-N 1 1 304.394 2.763 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1N[C@H]1CC[N@@H+](CC3CC3)C1)CCCC2 ZINC000591909798 398351591 /nfs/dbraw/zinc/35/15/91/398351591.db2.gz WAFJVZWPPOZHGX-AWEZNQCLSA-N 1 1 316.405 2.765 20 5 DFBDMO C[N@@H+](CCSc1cc[nH]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596214935 398359138 /nfs/dbraw/zinc/35/91/38/398359138.db2.gz NFSQRXNNXUHAQD-UHFFFAOYSA-N 1 1 319.386 2.920 20 5 DFBDMO CC(C)OCC[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000081650888 398365717 /nfs/dbraw/zinc/36/57/17/398365717.db2.gz GSCNMCZYZZTCGI-HNNXBMFYSA-N 1 1 321.421 2.698 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413203214 295686079 /nfs/dbraw/zinc/68/60/79/295686079.db2.gz HUECXNSDYDXIHD-CYBMUJFWSA-N 1 1 323.356 2.870 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000090518102 185299819 /nfs/dbraw/zinc/29/98/19/185299819.db2.gz BQKMJKHPTCSNSA-MRXNPFEDSA-N 1 1 319.405 2.801 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000318636863 529690801 /nfs/dbraw/zinc/69/08/01/529690801.db2.gz OETHJSYGAMIOLA-NSHDSACASA-N 1 1 309.366 2.524 20 5 DFBDMO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092510078 185323290 /nfs/dbraw/zinc/32/32/90/185323290.db2.gz JCMDKWPOJNAHSN-OAHLLOKOSA-N 1 1 319.405 2.736 20 5 DFBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092510078 185323291 /nfs/dbraw/zinc/32/32/91/185323291.db2.gz JCMDKWPOJNAHSN-OAHLLOKOSA-N 1 1 319.405 2.736 20 5 DFBDMO NC(=O)CC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092660046 185332023 /nfs/dbraw/zinc/33/20/23/185332023.db2.gz UWVMNLWVGFLMHK-GBXSZLQWSA-N 1 1 317.389 2.586 20 5 DFBDMO C[N@@H+](CCC(C)(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000592145342 398391243 /nfs/dbraw/zinc/39/12/43/398391243.db2.gz UMHNTJSQHPQJIM-ZDUSSCGKSA-N 1 1 310.394 2.703 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccccc2F)cc1 ZINC000592159904 398394954 /nfs/dbraw/zinc/39/49/54/398394954.db2.gz HLAKQONZOIXEDD-MRXNPFEDSA-N 1 1 304.321 2.947 20 5 DFBDMO CC[N@@H+](CCSC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592201445 398401418 /nfs/dbraw/zinc/40/14/18/398401418.db2.gz SXRWUXDIVZDDEX-LLVKDONJSA-N 1 1 311.407 2.607 20 5 DFBDMO C[C@@H](C1CC1)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181554468 199317064 /nfs/dbraw/zinc/31/70/64/199317064.db2.gz LNVKBRLMHDRICD-WFASDCNBSA-N 1 1 320.389 2.597 20 5 DFBDMO CC[N@@H+](CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000584754716 398406249 /nfs/dbraw/zinc/40/62/49/398406249.db2.gz YAAUVBINZQEBON-CYBMUJFWSA-N 1 1 307.394 2.545 20 5 DFBDMO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592248962 398407508 /nfs/dbraw/zinc/40/75/08/398407508.db2.gz FRHQIPYHRUELCH-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO CN1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248832132 398409514 /nfs/dbraw/zinc/40/95/14/398409514.db2.gz HSZVDQWIEHCDKT-GUYCJALGSA-N 1 1 303.406 2.904 20 5 DFBDMO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248832132 398409521 /nfs/dbraw/zinc/40/95/21/398409521.db2.gz HSZVDQWIEHCDKT-GUYCJALGSA-N 1 1 303.406 2.904 20 5 DFBDMO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248832132 398409527 /nfs/dbraw/zinc/40/95/27/398409527.db2.gz HSZVDQWIEHCDKT-GUYCJALGSA-N 1 1 303.406 2.904 20 5 DFBDMO C[N@@H+](CC1CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378584 398432275 /nfs/dbraw/zinc/43/22/75/398432275.db2.gz MFHCPMCAUPJPHW-MRXNPFEDSA-N 1 1 317.389 2.822 20 5 DFBDMO CCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592521155 398439902 /nfs/dbraw/zinc/43/99/02/398439902.db2.gz VLCRUEXZXNODNM-CQSZACIVSA-N 1 1 307.394 2.520 20 5 DFBDMO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592521155 398439905 /nfs/dbraw/zinc/43/99/05/398439905.db2.gz VLCRUEXZXNODNM-CQSZACIVSA-N 1 1 307.394 2.520 20 5 DFBDMO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592521155 398439907 /nfs/dbraw/zinc/43/99/07/398439907.db2.gz VLCRUEXZXNODNM-CQSZACIVSA-N 1 1 307.394 2.520 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)c1ccccc1 ZINC000585754398 398445520 /nfs/dbraw/zinc/44/55/20/398445520.db2.gz MEQRIMIRHKSCPF-UHFFFAOYSA-N 1 1 315.373 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Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597854790 398704803 /nfs/dbraw/zinc/70/48/03/398704803.db2.gz LOGPCOOPWVWJPX-ZDUSSCGKSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000597861891 398706268 /nfs/dbraw/zinc/70/62/68/398706268.db2.gz XUSWEMPVYDOOIH-CYBMUJFWSA-N 1 1 319.405 2.753 20 5 DFBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174873270 198395601 /nfs/dbraw/zinc/39/56/01/198395601.db2.gz GXHCEIKBJGCQMB-NSHDSACASA-N 1 1 323.422 2.812 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000073140880 191282185 /nfs/dbraw/zinc/28/21/85/191282185.db2.gz FQYIDPFXUFFWML-ZDUSSCGKSA-N 1 1 305.378 2.822 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000590970316 398711196 /nfs/dbraw/zinc/71/11/96/398711196.db2.gz QKBBCOACKVWRRT-HZPDHXFCSA-N 1 1 302.374 2.904 20 5 DFBDMO Cn1cc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000182177789 199398150 /nfs/dbraw/zinc/39/81/50/199398150.db2.gz VGUFKEDIRBYKMM-LLVKDONJSA-N 1 1 320.780 2.971 20 5 DFBDMO Cc1c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000046953657 398727232 /nfs/dbraw/zinc/72/72/32/398727232.db2.gz GYMVGEVCNOEOST-QWHCGFSZSA-N 1 1 319.405 2.753 20 5 DFBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000591152871 398733310 /nfs/dbraw/zinc/73/33/10/398733310.db2.gz NICINETWQAGNLD-SECBINFHSA-N 1 1 318.299 2.539 20 5 DFBDMO C[C@H](O)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000594061945 398735739 /nfs/dbraw/zinc/73/57/39/398735739.db2.gz DQZKSHQFECLMGC-NSHDSACASA-N 1 1 317.345 2.595 20 5 DFBDMO C[C@H](O)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000594061945 398735745 /nfs/dbraw/zinc/73/57/45/398735745.db2.gz DQZKSHQFECLMGC-NSHDSACASA-N 1 1 317.345 2.595 20 5 DFBDMO Cc1cc(N2CCC(C)([NH3+])CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591434427 398760114 /nfs/dbraw/zinc/76/01/14/398760114.db2.gz GPRJNPQDTAIZKB-UHFFFAOYSA-N 1 1 300.362 2.769 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594195770 398762706 /nfs/dbraw/zinc/76/27/06/398762706.db2.gz JAXQCHPSKOTRQF-GOEBONIOSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000074738713 398762710 /nfs/dbraw/zinc/76/27/10/398762710.db2.gz BZGYFKPGWVFYDV-BETUJISGSA-N 1 1 322.409 2.598 20 5 DFBDMO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594202808 398764732 /nfs/dbraw/zinc/76/47/32/398764732.db2.gz SGBYYTXALXRXHK-CABCVRRESA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594202869 398764742 /nfs/dbraw/zinc/76/47/42/398764742.db2.gz UEWLRVUPDBGSKI-HOTGVXAUSA-N 1 1 317.389 2.650 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000074772724 398765765 /nfs/dbraw/zinc/76/57/65/398765765.db2.gz SXQVSPYVRWMFIQ-LBPRGKRZSA-N 1 1 324.812 2.811 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000591478562 398767587 /nfs/dbraw/zinc/76/75/87/398767587.db2.gz HNSYPAKVGFBOSE-OAHLLOKOSA-N 1 1 322.405 2.848 20 5 DFBDMO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000594307991 398781957 /nfs/dbraw/zinc/78/19/57/398781957.db2.gz HKCSGGQTVXBLFC-CYBMUJFWSA-N 1 1 319.405 2.812 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000276856088 213136636 /nfs/dbraw/zinc/13/66/36/213136636.db2.gz FOVXCQUBHSOPCW-OAHLLOKOSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1cc(C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276826543 213117377 /nfs/dbraw/zinc/11/73/77/213117377.db2.gz ALMFVLJRGDJDRT-GXTWGEPZSA-N 1 1 308.378 2.729 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCC(=O)OC(C)(C)C ZINC000150929494 283271334 /nfs/dbraw/zinc/27/13/34/283271334.db2.gz MQUDNTUMGNQXEC-UHFFFAOYSA-N 1 1 324.377 2.637 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594494923 398809735 /nfs/dbraw/zinc/80/97/35/398809735.db2.gz LLHFRDYQAFQZCA-BBRMVZONSA-N 1 1 301.390 2.656 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000594495348 398809770 /nfs/dbraw/zinc/80/97/70/398809770.db2.gz VLMPTJPZFPITCA-ZENOOKHLSA-N 1 1 301.390 2.799 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594494923 398809732 /nfs/dbraw/zinc/80/97/32/398809732.db2.gz LLHFRDYQAFQZCA-BBRMVZONSA-N 1 1 301.390 2.656 20 5 DFBDMO CCOC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075616805 398813623 /nfs/dbraw/zinc/81/36/23/398813623.db2.gz TUZNUBWWSRZHCW-LBPRGKRZSA-N 1 1 306.362 2.931 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594522067 398815994 /nfs/dbraw/zinc/81/59/94/398815994.db2.gz XRWDPKJAGCHXBR-HZPDHXFCSA-N 1 1 307.369 2.840 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594522067 398815998 /nfs/dbraw/zinc/81/59/98/398815998.db2.gz XRWDPKJAGCHXBR-HZPDHXFCSA-N 1 1 307.369 2.840 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000598466138 398817761 /nfs/dbraw/zinc/81/77/61/398817761.db2.gz KXAPXSZWRKPNHV-UHFFFAOYSA-N 1 1 321.421 2.682 20 5 DFBDMO CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075673895 398816273 /nfs/dbraw/zinc/81/62/73/398816273.db2.gz ZYNSFQWZRFEHKX-GXTWGEPZSA-N 1 1 305.378 2.504 20 5 DFBDMO CC(C)[N@H+](CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179659104 199071399 /nfs/dbraw/zinc/07/13/99/199071399.db2.gz MMKLJEUFEQNEOT-UHFFFAOYSA-N 1 1 317.345 2.551 20 5 DFBDMO CC(C)[N@@H+](CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179659104 199071401 /nfs/dbraw/zinc/07/14/01/199071401.db2.gz MMKLJEUFEQNEOT-UHFFFAOYSA-N 1 1 317.345 2.551 20 5 DFBDMO CC(C)[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nncn1C ZINC000594607774 398830495 /nfs/dbraw/zinc/83/04/95/398830495.db2.gz ZKUCIKPODBTDCC-DZGCQCFKSA-N 1 1 315.377 2.698 20 5 DFBDMO COC(=O)C[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179888837 199091275 /nfs/dbraw/zinc/09/12/75/199091275.db2.gz QZMBHYKJXCMGDX-BTKRWWFXSA-N 1 1 304.346 2.636 20 5 DFBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000598562136 398832100 /nfs/dbraw/zinc/83/21/00/398832100.db2.gz UNDYKRVJQZIZMD-LBPRGKRZSA-N 1 1 323.418 2.508 20 5 DFBDMO CC(=O)c1ccc(NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052207186 398836050 /nfs/dbraw/zinc/83/60/50/398836050.db2.gz CEPUBLYLGFXKEM-LBPRGKRZSA-N 1 1 305.378 2.941 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC(C)C ZINC000053365405 398869469 /nfs/dbraw/zinc/86/94/69/398869469.db2.gz MZXFRZRRKHNFTR-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000595009038 398890897 /nfs/dbraw/zinc/89/08/97/398890897.db2.gz BCWJMCXCNOBEFW-BFQNTYOBSA-N 1 1 319.405 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000595009038 398890902 /nfs/dbraw/zinc/89/09/02/398890902.db2.gz BCWJMCXCNOBEFW-BFQNTYOBSA-N 1 1 319.405 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000595018325 398892305 /nfs/dbraw/zinc/89/23/05/398892305.db2.gz MINFGGKEFRNAKU-RWMBFGLXSA-N 1 1 319.405 2.879 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000595018325 398892307 /nfs/dbraw/zinc/89/23/07/398892307.db2.gz MINFGGKEFRNAKU-RWMBFGLXSA-N 1 1 319.405 2.879 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041958 398896344 /nfs/dbraw/zinc/89/63/44/398896344.db2.gz RHYMXXRQCQVRKN-QWHCGFSZSA-N 1 1 309.410 2.984 20 5 DFBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000054389704 398898678 /nfs/dbraw/zinc/89/86/78/398898678.db2.gz WNGRCZUZMQYURU-PHIMTYICSA-N 1 1 313.423 2.956 20 5 DFBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000054389704 398898681 /nfs/dbraw/zinc/89/86/81/398898681.db2.gz WNGRCZUZMQYURU-PHIMTYICSA-N 1 1 313.423 2.956 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000470156195 299292204 /nfs/dbraw/zinc/29/22/04/299292204.db2.gz KVEAYSYEYFJNGM-KLAHQYIXSA-N 1 1 318.373 2.882 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cs1 ZINC000598989716 398904249 /nfs/dbraw/zinc/90/42/49/398904249.db2.gz RKCDCIKQZNISJZ-VIFPVBQESA-N 1 1 320.296 2.746 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCc1cnccn1 ZINC000470216595 299293313 /nfs/dbraw/zinc/29/33/13/299293313.db2.gz TZILWVHGFKWTPJ-GXDHUFHOSA-N 1 1 312.373 2.963 20 5 DFBDMO COC(=O)[C@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470176725 299293558 /nfs/dbraw/zinc/29/35/58/299293558.db2.gz YLGYZPZEZFVJOX-CTXBLAANSA-N 1 1 318.373 2.883 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470182869 299293261 /nfs/dbraw/zinc/29/32/61/299293261.db2.gz OCPHWEHCRUBRIM-GQPJMJRUSA-N 1 1 318.373 2.883 20 5 DFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)Cc1ccsc1 ZINC000187791649 200157437 /nfs/dbraw/zinc/15/74/37/200157437.db2.gz CTZZFQZHCSIVFG-LBPRGKRZSA-N 1 1 308.407 2.806 20 5 DFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599045211 398912359 /nfs/dbraw/zinc/91/23/59/398912359.db2.gz GSYLDONBUKEDSG-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599058228 398914457 /nfs/dbraw/zinc/91/44/57/398914457.db2.gz GBSCJYUCMPCRFF-ZDUSSCGKSA-N 1 1 323.356 2.870 20 5 DFBDMO CC[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000188058880 200187926 /nfs/dbraw/zinc/18/79/26/200187926.db2.gz DUQVXMZQINZOIG-UHFFFAOYSA-N 1 1 319.386 2.631 20 5 DFBDMO CC[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000188058880 200187928 /nfs/dbraw/zinc/18/79/28/200187928.db2.gz DUQVXMZQINZOIG-UHFFFAOYSA-N 1 1 319.386 2.631 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCC2CCC2)CC1 ZINC000595298498 398919029 /nfs/dbraw/zinc/91/90/29/398919029.db2.gz PXCIAAKPRDWGEN-UHFFFAOYSA-N 1 1 323.418 2.604 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000595305033 398920492 /nfs/dbraw/zinc/92/04/92/398920492.db2.gz AIYMOKMHUPNSAQ-CQSZACIVSA-N 1 1 304.325 2.595 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000595305033 398920493 /nfs/dbraw/zinc/92/04/93/398920493.db2.gz AIYMOKMHUPNSAQ-CQSZACIVSA-N 1 1 304.325 2.595 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000595312490 398921232 /nfs/dbraw/zinc/92/12/32/398921232.db2.gz YIBKFPDMLNMNEY-UHFFFAOYSA-N 1 1 304.321 2.728 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000595312490 398921233 /nfs/dbraw/zinc/92/12/33/398921233.db2.gz YIBKFPDMLNMNEY-UHFFFAOYSA-N 1 1 304.321 2.728 20 5 DFBDMO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000595326308 398922725 /nfs/dbraw/zinc/92/27/25/398922725.db2.gz BBAODBINDCRIBR-GLQYFDAESA-N 1 1 323.393 2.917 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC000599127007 398925209 /nfs/dbraw/zinc/92/52/09/398925209.db2.gz LRBNENLWUCYCJT-GFCCVEGCSA-N 1 1 308.357 2.948 20 5 DFBDMO CO[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C ZINC000189272388 200373718 /nfs/dbraw/zinc/37/37/18/200373718.db2.gz ZVCARNDTMJBHSP-YGRLFVJLSA-N 1 1 305.334 2.593 20 5 DFBDMO CO[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C ZINC000189272388 200373719 /nfs/dbraw/zinc/37/37/19/200373719.db2.gz ZVCARNDTMJBHSP-YGRLFVJLSA-N 1 1 305.334 2.593 20 5 DFBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471804150 299306386 /nfs/dbraw/zinc/30/63/86/299306386.db2.gz KZBKJPUANHQXTM-QMTHXVAHSA-N 1 1 319.386 2.673 20 5 DFBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471804150 299306390 /nfs/dbraw/zinc/30/63/90/299306390.db2.gz KZBKJPUANHQXTM-QMTHXVAHSA-N 1 1 319.386 2.673 20 5 DFBDMO Cc1noc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000595417410 398934106 /nfs/dbraw/zinc/93/41/06/398934106.db2.gz KQWQDTLVHONMHK-HIFRSBDPSA-N 1 1 317.345 2.759 20 5 DFBDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595432929 398937526 /nfs/dbraw/zinc/93/75/26/398937526.db2.gz WRARCFNZTZXOMI-HNNXBMFYSA-N 1 1 304.321 2.866 20 5 DFBDMO CCc1nc([C@@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000595477425 398946553 /nfs/dbraw/zinc/94/65/53/398946553.db2.gz SQMWUCFZTQLRDW-LLVKDONJSA-N 1 1 303.366 2.511 20 5 DFBDMO CCc1nnc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000595477425 398946555 /nfs/dbraw/zinc/94/65/55/398946555.db2.gz SQMWUCFZTQLRDW-LLVKDONJSA-N 1 1 303.366 2.511 20 5 DFBDMO CCc1nnc([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000595477425 398946556 /nfs/dbraw/zinc/94/65/56/398946556.db2.gz SQMWUCFZTQLRDW-LLVKDONJSA-N 1 1 303.366 2.511 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000595503860 398952185 /nfs/dbraw/zinc/95/21/85/398952185.db2.gz XIKYAGODEOFRAW-GFCCVEGCSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000595503860 398952188 /nfs/dbraw/zinc/95/21/88/398952188.db2.gz XIKYAGODEOFRAW-GFCCVEGCSA-N 1 1 302.334 2.666 20 5 DFBDMO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000595506698 398953340 /nfs/dbraw/zinc/95/33/40/398953340.db2.gz GJOHCAJGWJOQDZ-LBPRGKRZSA-N 1 1 307.369 2.650 20 5 DFBDMO Cc1noc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1[N+](=O)[O-] ZINC000595512846 398954556 /nfs/dbraw/zinc/95/45/56/398954556.db2.gz WLXFOKMWQFZHHJ-XPTSAGLGSA-N 1 1 323.374 2.745 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000595533537 398958047 /nfs/dbraw/zinc/95/80/47/398958047.db2.gz ASLHVQGITOZKFU-UHFFFAOYSA-N 1 1 316.336 2.904 20 5 DFBDMO CCO[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000613380316 398966590 /nfs/dbraw/zinc/96/65/90/398966590.db2.gz DMRPWCLOLJWYBV-LBPRGKRZSA-N 1 1 312.341 2.743 20 5 DFBDMO CCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000613380316 398966592 /nfs/dbraw/zinc/96/65/92/398966592.db2.gz DMRPWCLOLJWYBV-LBPRGKRZSA-N 1 1 312.341 2.743 20 5 DFBDMO Cc1noc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000595553116 398969343 /nfs/dbraw/zinc/96/93/43/398969343.db2.gz CTQBDLMQRQHPAQ-HNNXBMFYSA-N 1 1 321.377 2.672 20 5 DFBDMO C[N@@H+](CCNc1cc(N)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000193464807 201057753 /nfs/dbraw/zinc/05/77/53/201057753.db2.gz ZBJBUHXFQKEBRK-UHFFFAOYSA-N 1 1 318.352 2.860 20 5 DFBDMO Cc1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078625764 398974400 /nfs/dbraw/zinc/97/44/00/398974400.db2.gz MGRCKQZDOVQAHL-HNNXBMFYSA-N 1 1 312.373 2.985 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565203 398974705 /nfs/dbraw/zinc/97/47/05/398974705.db2.gz CQUZFMZUGOULLX-HUBLWGQQSA-N 1 1 303.362 2.796 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565203 398974711 /nfs/dbraw/zinc/97/47/11/398974711.db2.gz CQUZFMZUGOULLX-HUBLWGQQSA-N 1 1 303.362 2.796 20 5 DFBDMO CCC(=O)c1ccc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000281513127 216352297 /nfs/dbraw/zinc/35/22/97/216352297.db2.gz PSKUEKRQAUEZSJ-WBMJQRKESA-N 1 1 317.389 2.718 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000194499945 201239479 /nfs/dbraw/zinc/23/94/79/201239479.db2.gz FLTFCPRTJIYDRO-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1c(C[N@H+](C)[C@@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000595595208 398989325 /nfs/dbraw/zinc/98/93/25/398989325.db2.gz IBJSCRVKNPUHOZ-QGZVFWFLSA-N 1 1 314.385 2.939 20 5 DFBDMO Cc1c(C[N@H+](C)[C@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000595595207 398989738 /nfs/dbraw/zinc/98/97/38/398989738.db2.gz IBJSCRVKNPUHOZ-KRWDZBQOSA-N 1 1 314.385 2.939 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)Cc1ccccc1 ZINC000595595211 398991185 /nfs/dbraw/zinc/99/11/85/398991185.db2.gz IGXHLGYQTFWIKW-GOSISDBHSA-N 1 1 314.385 2.673 20 5 DFBDMO CCOc1cc(NC[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000618167991 399029168 /nfs/dbraw/zinc/02/91/68/399029168.db2.gz TXBOPIFWZWTLCD-LBPRGKRZSA-N 1 1 316.361 2.865 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)cc1[N+](=O)[O-] ZINC000595697608 399041028 /nfs/dbraw/zinc/04/10/28/399041028.db2.gz LYTSINIQWXPUQT-TZMCWYRMSA-N 1 1 308.378 2.586 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC2(CC2)CC1 ZINC000599673697 399054888 /nfs/dbraw/zinc/05/48/88/399054888.db2.gz WFBWYLKYDFJNKA-AWEZNQCLSA-N 1 1 320.389 2.601 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599693651 399067233 /nfs/dbraw/zinc/06/72/33/399067233.db2.gz ZJWFDHIYLIFPFE-PTEHBNRSSA-N 1 1 324.352 2.896 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599693651 399067241 /nfs/dbraw/zinc/06/72/41/399067241.db2.gz ZJWFDHIYLIFPFE-PTEHBNRSSA-N 1 1 324.352 2.896 20 5 DFBDMO CC1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)C1 ZINC000595748850 399069017 /nfs/dbraw/zinc/06/90/17/399069017.db2.gz IOPYCFGORIHDGL-UHFFFAOYSA-N 1 1 321.421 2.905 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755703 399071780 /nfs/dbraw/zinc/07/17/80/399071780.db2.gz OQZWMNYIPZDSDE-STQMWFEESA-N 1 1 323.368 2.993 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755703 399071784 /nfs/dbraw/zinc/07/17/84/399071784.db2.gz OQZWMNYIPZDSDE-STQMWFEESA-N 1 1 323.368 2.993 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755701 399071824 /nfs/dbraw/zinc/07/18/24/399071824.db2.gz OQZWMNYIPZDSDE-OLZOCXBDSA-N 1 1 323.368 2.993 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755701 399071828 /nfs/dbraw/zinc/07/18/28/399071828.db2.gz OQZWMNYIPZDSDE-OLZOCXBDSA-N 1 1 323.368 2.993 20 5 DFBDMO CC[C@H]1CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292827721 284010088 /nfs/dbraw/zinc/01/00/88/284010088.db2.gz QUDREQXIXLFRFT-AWEZNQCLSA-N 1 1 300.362 2.980 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826972 399100721 /nfs/dbraw/zinc/10/07/21/399100721.db2.gz BNPRAPDDWDWBJC-ZFWWWQNUSA-N 1 1 320.389 2.850 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000059394379 399110679 /nfs/dbraw/zinc/11/06/79/399110679.db2.gz NIKHGVIYXVBFKP-UHFFFAOYSA-N 1 1 306.410 2.938 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419382968 296138469 /nfs/dbraw/zinc/13/84/69/296138469.db2.gz ZOQBWBIHBVVWPT-SDDRHHMPSA-N 1 1 321.377 2.518 20 5 DFBDMO CCC[N@H+](C)CC(C)(C)NCCOc1cccc([N+](=O)[O-])c1 ZINC000595872135 399118682 /nfs/dbraw/zinc/11/86/82/399118682.db2.gz CPEJWDRXEVWKKA-UHFFFAOYSA-N 1 1 309.410 2.684 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NCCOc1cccc([N+](=O)[O-])c1 ZINC000595872135 399118685 /nfs/dbraw/zinc/11/86/85/399118685.db2.gz CPEJWDRXEVWKKA-UHFFFAOYSA-N 1 1 309.410 2.684 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1=CCSC1 ZINC000595889242 399124184 /nfs/dbraw/zinc/12/41/84/399124184.db2.gz SOHBOLIEDWBLTA-NSHDSACASA-N 1 1 321.402 2.527 20 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CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000282650403 217152387 /nfs/dbraw/zinc/15/23/87/217152387.db2.gz CIFNWUVZOXBEDR-IUODEOHRSA-N 1 1 310.369 2.963 20 5 DFBDMO CCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000080788863 399180940 /nfs/dbraw/zinc/18/09/40/399180940.db2.gz RLZQJUCOVYJTKG-UHFFFAOYSA-N 1 1 307.394 2.916 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000266131597 205124875 /nfs/dbraw/zinc/12/48/75/205124875.db2.gz KLCJIJSWVFNGKE-NSHDSACASA-N 1 1 311.407 2.603 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342523678 284357332 /nfs/dbraw/zinc/35/73/32/284357332.db2.gz KQVNDDYKRIQBOB-GFCCVEGCSA-N 1 1 308.382 2.837 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000266302928 205249848 /nfs/dbraw/zinc/24/98/48/205249848.db2.gz KRSSELIFWWHPTQ-GFCCVEGCSA-N 1 1 323.368 2.538 20 5 DFBDMO CN(C[C@H]1CCC[N@H+]1C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000420628429 296193736 /nfs/dbraw/zinc/19/37/36/296193736.db2.gz ATFSDYCUVKPPFB-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO COc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000266470985 205370531 /nfs/dbraw/zinc/37/05/31/205370531.db2.gz ZXUVAUXSABZCCD-UHFFFAOYSA-N 1 1 302.334 2.711 20 5 DFBDMO C[C@@H](O)CC(C)(C)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601118747 399232588 /nfs/dbraw/zinc/23/25/88/399232588.db2.gz HBVMVJQGVNVXAW-LLVKDONJSA-N 1 1 303.362 2.774 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000267431679 206060907 /nfs/dbraw/zinc/06/09/07/206060907.db2.gz MRNPAZSUBUCDQE-ZDUSSCGKSA-N 1 1 316.361 2.706 20 5 DFBDMO CN(C[C@H]1CCC[C@@H]1O)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601134836 399237448 /nfs/dbraw/zinc/23/74/48/399237448.db2.gz IMUJXELWACQXBN-BZNIZROVSA-N 1 1 301.346 2.740 20 5 DFBDMO C[C@H](O)C[C@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601134698 399237132 /nfs/dbraw/zinc/23/71/32/399237132.db2.gz KCJQVWJHRIOLRP-NWDGAFQWSA-N 1 1 301.346 2.883 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420945309 296216034 /nfs/dbraw/zinc/21/60/34/296216034.db2.gz RNEGYJIHMBJLDC-UONOGXRCSA-N 1 1 322.405 2.832 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](CCO)CC2)c(F)c1 ZINC000421007197 296224105 /nfs/dbraw/zinc/22/41/05/296224105.db2.gz BYKHMFJZEKUOFZ-NSHDSACASA-N 1 1 314.332 2.858 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](CCO)CC2)c(F)c1 ZINC000421007197 296224110 /nfs/dbraw/zinc/22/41/10/296224110.db2.gz BYKHMFJZEKUOFZ-NSHDSACASA-N 1 1 314.332 2.858 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601258453 399264872 /nfs/dbraw/zinc/26/48/72/399264872.db2.gz HFWDUFSHNILZOY-LBPRGKRZSA-N 1 1 323.368 2.538 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601258452 399265141 /nfs/dbraw/zinc/26/51/41/399265141.db2.gz HFWDUFSHNILZOY-GFCCVEGCSA-N 1 1 323.368 2.538 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000421435854 296255132 /nfs/dbraw/zinc/25/51/32/296255132.db2.gz QCQVENXREBENGU-GJZGRUSLSA-N 1 1 317.389 2.568 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000421497784 296260784 /nfs/dbraw/zinc/26/07/84/296260784.db2.gz RFFKFEFXXVHDDE-UONOGXRCSA-N 1 1 319.405 2.766 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000421497785 296260831 /nfs/dbraw/zinc/26/08/31/296260831.db2.gz RFFKFEFXXVHDDE-ZIAGYGMSSA-N 1 1 319.405 2.766 20 5 DFBDMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609144369 399305747 /nfs/dbraw/zinc/30/57/47/399305747.db2.gz RWGSPTNLYOJDID-NSHDSACASA-N 1 1 310.325 2.652 20 5 DFBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609144369 399305748 /nfs/dbraw/zinc/30/57/48/399305748.db2.gz RWGSPTNLYOJDID-NSHDSACASA-N 1 1 310.325 2.652 20 5 DFBDMO C[C@H](O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000609194170 399308972 /nfs/dbraw/zinc/30/89/72/399308972.db2.gz AMDDNTBYPXJSIH-AWEZNQCLSA-N 1 1 322.405 2.989 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@@H]2Cn2cccn2)cccc1[N+](=O)[O-] ZINC000609259665 399310668 /nfs/dbraw/zinc/31/06/68/399310668.db2.gz DQTIMOMVIFLQHZ-OAHLLOKOSA-N 1 1 300.362 2.764 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000609541009 399322114 /nfs/dbraw/zinc/32/21/14/399322114.db2.gz SXCWVQWFCWBMJD-CZUORRHYSA-N 1 1 317.389 2.743 20 5 DFBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000609875866 399334889 /nfs/dbraw/zinc/33/48/89/399334889.db2.gz HVWNBWDFIZHAOV-UHFFFAOYSA-N 1 1 323.780 2.559 20 5 DFBDMO Cc1[nH+]ccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000609893207 399335390 /nfs/dbraw/zinc/33/53/90/399335390.db2.gz PPYDZAVSJZFJQI-LLVKDONJSA-N 1 1 321.768 2.990 20 5 DFBDMO Cc1[nH+]ccn1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000609893208 399335402 /nfs/dbraw/zinc/33/54/02/399335402.db2.gz PPYDZAVSJZFJQI-NSHDSACASA-N 1 1 321.768 2.990 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000104970180 194059693 /nfs/dbraw/zinc/05/96/93/194059693.db2.gz JUEVZDPJPLDSFL-AWEZNQCLSA-N 1 1 318.377 2.605 20 5 DFBDMO Cc1cnc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000610283875 399353818 /nfs/dbraw/zinc/35/38/18/399353818.db2.gz DRWFMYBLSBCUHF-BETUJISGSA-N 1 1 322.409 2.598 20 5 DFBDMO Cc1cnc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000610283875 399353822 /nfs/dbraw/zinc/35/38/22/399353822.db2.gz DRWFMYBLSBCUHF-BETUJISGSA-N 1 1 322.409 2.598 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000619480735 399352348 /nfs/dbraw/zinc/35/23/48/399352348.db2.gz QPGRDYYSXISPSG-GFCCVEGCSA-N 1 1 307.398 2.548 20 5 DFBDMO CN(C)c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000492071589 299505936 /nfs/dbraw/zinc/50/59/36/299505936.db2.gz QNMZRFQTWKUUDZ-VOTSOKGWSA-N 1 1 312.329 2.708 20 5 DFBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000284842748 218203222 /nfs/dbraw/zinc/20/32/22/218203222.db2.gz RBICNQQXZHQGGZ-ZDUSSCGKSA-N 1 1 323.368 2.615 20 5 DFBDMO Cc1c(C[N@@H+]2CCO[C@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601973550 399371961 /nfs/dbraw/zinc/37/19/61/399371961.db2.gz PWJIKMFZTWQDBZ-ZDUSSCGKSA-N 1 1 300.305 2.759 20 5 DFBDMO Cc1c(C[N@H+]2CCO[C@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601973550 399371966 /nfs/dbraw/zinc/37/19/66/399371966.db2.gz PWJIKMFZTWQDBZ-ZDUSSCGKSA-N 1 1 300.305 2.759 20 5 DFBDMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000105899940 194164454 /nfs/dbraw/zinc/16/44/54/194164454.db2.gz HJMWTFROXFYPGG-MRXNPFEDSA-N 1 1 300.362 2.937 20 5 DFBDMO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026886 218262152 /nfs/dbraw/zinc/26/21/52/218262152.db2.gz HQAJMSNPIHQSFR-ZANVPECISA-N 1 1 301.350 2.628 20 5 DFBDMO CCOc1cc(N[C@@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000610517331 399376033 /nfs/dbraw/zinc/37/60/33/399376033.db2.gz XHCIUONYYGDVLZ-GFCCVEGCSA-N 1 1 302.334 2.617 20 5 DFBDMO CCOCC[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000106117001 194187071 /nfs/dbraw/zinc/18/70/71/194187071.db2.gz ZKEBCWPOMHYTTO-INIZCTEOSA-N 1 1 321.421 2.528 20 5 DFBDMO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268189 218358211 /nfs/dbraw/zinc/35/82/11/218358211.db2.gz QRYXAPVHOXCWAR-ZWNOBZJWSA-N 1 1 305.334 2.544 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285249479 218351499 /nfs/dbraw/zinc/35/14/99/218351499.db2.gz CHMSLMHEZYSCHH-HOTGVXAUSA-N 1 1 316.361 2.579 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285249479 218351500 /nfs/dbraw/zinc/35/15/00/218351500.db2.gz CHMSLMHEZYSCHH-HOTGVXAUSA-N 1 1 316.361 2.579 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000615833500 399387450 /nfs/dbraw/zinc/38/74/50/399387450.db2.gz SYJCTYQDNGNQCP-UVTDQMKNSA-N 1 1 317.389 2.552 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)N1CCCC1 ZINC000615833500 399387453 /nfs/dbraw/zinc/38/74/53/399387453.db2.gz SYJCTYQDNGNQCP-UVTDQMKNSA-N 1 1 317.389 2.552 20 5 DFBDMO COC(=O)c1occc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285316688 218379312 /nfs/dbraw/zinc/37/93/12/218379312.db2.gz MNFZUJTYZNBJOC-UHFFFAOYSA-N 1 1 318.329 2.649 20 5 DFBDMO COC(=O)c1occc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285316688 218379314 /nfs/dbraw/zinc/37/93/14/218379314.db2.gz MNFZUJTYZNBJOC-UHFFFAOYSA-N 1 1 318.329 2.649 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000109756268 194283584 /nfs/dbraw/zinc/28/35/84/194283584.db2.gz BCOGCQZREQQYCE-OLZOCXBDSA-N 1 1 318.295 2.525 20 5 DFBDMO CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000602135225 399400170 /nfs/dbraw/zinc/40/01/70/399400170.db2.gz YUUDQHAIVFODBD-GFCCVEGCSA-N 1 1 316.361 2.792 20 5 DFBDMO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)o1 ZINC000610864979 399413757 /nfs/dbraw/zinc/41/37/57/399413757.db2.gz XJHWHSKCZURRCV-CYBMUJFWSA-N 1 1 316.361 2.602 20 5 DFBDMO Cc1cnc(C[N@H+](C)[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)o1 ZINC000610864979 399413760 /nfs/dbraw/zinc/41/37/60/399413760.db2.gz XJHWHSKCZURRCV-CYBMUJFWSA-N 1 1 316.361 2.602 20 5 DFBDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602438081 399444065 /nfs/dbraw/zinc/44/40/65/399444065.db2.gz BMWZGMQYUGGPAA-HNNXBMFYSA-N 1 1 300.362 2.974 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602453248 399448461 /nfs/dbraw/zinc/44/84/61/399448461.db2.gz JTUOBIYSPYOUOF-OAHLLOKOSA-N 1 1 318.352 2.675 20 5 DFBDMO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602487696 399459947 /nfs/dbraw/zinc/45/99/47/399459947.db2.gz XTFRKOKFEWFAID-KBPBESRZSA-N 1 1 324.425 2.744 20 5 DFBDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602487696 399459950 /nfs/dbraw/zinc/45/99/50/399459950.db2.gz XTFRKOKFEWFAID-KBPBESRZSA-N 1 1 324.425 2.744 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cccn2)cc1[N+](=O)[O-] ZINC000611270125 399454899 /nfs/dbraw/zinc/45/48/99/399454899.db2.gz SNKGRXHRFRVKKY-HNNXBMFYSA-N 1 1 300.362 2.764 20 5 DFBDMO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000611272294 399455667 /nfs/dbraw/zinc/45/56/67/399455667.db2.gz HDYOYULBGOGCDU-UHFFFAOYSA-N 1 1 324.402 2.693 20 5 DFBDMO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000611272294 399455670 /nfs/dbraw/zinc/45/56/70/399455670.db2.gz HDYOYULBGOGCDU-UHFFFAOYSA-N 1 1 324.402 2.693 20 5 DFBDMO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611275647 399456380 /nfs/dbraw/zinc/45/63/80/399456380.db2.gz PSIALVHMIRYCEU-LSDHHAIUSA-N 1 1 319.405 2.749 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611275647 399456383 /nfs/dbraw/zinc/45/63/83/399456383.db2.gz PSIALVHMIRYCEU-LSDHHAIUSA-N 1 1 319.405 2.749 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611283561 399457414 /nfs/dbraw/zinc/45/74/14/399457414.db2.gz DVRLTAYWIIWSHG-ZDUSSCGKSA-N 1 1 319.405 2.686 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611283561 399457417 /nfs/dbraw/zinc/45/74/17/399457417.db2.gz DVRLTAYWIIWSHG-ZDUSSCGKSA-N 1 1 319.405 2.686 20 5 DFBDMO Cc1cc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000611296523 399459942 /nfs/dbraw/zinc/45/99/42/399459942.db2.gz NCWGJZYFYNLHLH-INIZCTEOSA-N 1 1 319.405 2.594 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000602522451 399467170 /nfs/dbraw/zinc/46/71/70/399467170.db2.gz VCFJEWDTMMOCRA-UHFFFAOYSA-N 1 1 303.406 2.744 20 5 DFBDMO C[C@@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000602517296 399466522 /nfs/dbraw/zinc/46/65/22/399466522.db2.gz FVLAQCHQLXUGRZ-LLVKDONJSA-N 1 1 315.329 2.612 20 5 DFBDMO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501479 399483380 /nfs/dbraw/zinc/48/33/80/399483380.db2.gz CPDIYMPVIQCXPM-AAEUAGOBSA-N 1 1 312.341 2.662 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501479 399483382 /nfs/dbraw/zinc/48/33/82/399483382.db2.gz CPDIYMPVIQCXPM-AAEUAGOBSA-N 1 1 312.341 2.662 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000611579645 399496367 /nfs/dbraw/zinc/49/63/67/399496367.db2.gz MPPNARWEPDQMEK-NSHDSACASA-N 1 1 316.304 2.807 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000611579645 399496370 /nfs/dbraw/zinc/49/63/70/399496370.db2.gz MPPNARWEPDQMEK-NSHDSACASA-N 1 1 316.304 2.807 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616768 399499172 /nfs/dbraw/zinc/49/91/72/399499172.db2.gz FFCFCDVHPCEOQO-CQSZACIVSA-N 1 1 306.410 2.775 20 5 DFBDMO Cn1ccnc1[C@H](C1CC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000602659690 399506953 /nfs/dbraw/zinc/50/69/53/399506953.db2.gz VIKIWKVPYWOJIQ-INIZCTEOSA-N 1 1 314.389 2.954 20 5 DFBDMO Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000602659692 399507441 /nfs/dbraw/zinc/50/74/41/399507441.db2.gz VIKIWKVPYWOJIQ-MRXNPFEDSA-N 1 1 314.389 2.954 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N(C)CCCn2cc[nH+]c2C)c1 ZINC000269515844 207611309 /nfs/dbraw/zinc/61/13/09/207611309.db2.gz UPGBSTPQXBUQEO-UHFFFAOYSA-N 1 1 304.350 2.635 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000347369819 285017457 /nfs/dbraw/zinc/01/74/57/285017457.db2.gz UKYMHLRCOBFJQU-IVOILVROSA-N 1 1 317.389 2.551 20 5 DFBDMO CC(=O)N[C@@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347373168 285019680 /nfs/dbraw/zinc/01/96/80/285019680.db2.gz WRIXVLHCRLQPSE-LRFDDAOPSA-N 1 1 317.389 2.599 20 5 DFBDMO COC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000347378160 285020254 /nfs/dbraw/zinc/02/02/54/285020254.db2.gz NOQHLEWQEMTRFR-RNULJOAKSA-N 1 1 320.389 2.734 20 5 DFBDMO COC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000347378160 285020258 /nfs/dbraw/zinc/02/02/58/285020258.db2.gz NOQHLEWQEMTRFR-RNULJOAKSA-N 1 1 320.389 2.734 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](O)C34CCCC4)nc2c1 ZINC000602672999 399514822 /nfs/dbraw/zinc/51/48/22/399514822.db2.gz ALFLONHASOPEJJ-CQSZACIVSA-N 1 1 317.345 2.615 20 5 DFBDMO CC[C@H](CO)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602672663 399514879 /nfs/dbraw/zinc/51/48/79/399514879.db2.gz DQZQQRHCPINDKQ-SSDOTTSWSA-N 1 1 323.212 2.622 20 5 DFBDMO CC[C@H](CO)[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602672663 399514881 /nfs/dbraw/zinc/51/48/81/399514881.db2.gz DQZQQRHCPINDKQ-SSDOTTSWSA-N 1 1 323.212 2.622 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000269910248 207962074 /nfs/dbraw/zinc/96/20/74/207962074.db2.gz IDMBMUSCZMKDQY-UHFFFAOYSA-N 1 1 317.393 2.651 20 5 DFBDMO CC1(C)CCC[N@H+]1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602685336 399521001 /nfs/dbraw/zinc/52/10/01/399521001.db2.gz GGPRAESAFPVMNW-UHFFFAOYSA-N 1 1 318.377 2.700 20 5 DFBDMO COc1cc(N[C@H]2CCc3[nH+]c(C)cn3C2)c([N+](=O)[O-])cc1F ZINC000302626321 533040767 /nfs/dbraw/zinc/04/07/67/533040767.db2.gz FOWDAWJOAAUVQJ-JTQLQIEISA-N 1 1 320.324 2.674 20 5 DFBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286231711 218863179 /nfs/dbraw/zinc/86/31/79/218863179.db2.gz ZFGMCXCJJLROCY-LXZKKBNFSA-N 1 1 322.405 2.644 20 5 DFBDMO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)ccn1 ZINC000347636334 285105841 /nfs/dbraw/zinc/10/58/41/285105841.db2.gz ZHKGVVJPBFQTQS-NSHDSACASA-N 1 1 317.345 2.858 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272971466 210353528 /nfs/dbraw/zinc/35/35/28/210353528.db2.gz OJSWTQOBNOTMDQ-LBPRGKRZSA-N 1 1 318.377 2.675 20 5 DFBDMO COc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000286520912 219033460 /nfs/dbraw/zinc/03/34/60/219033460.db2.gz XUVGGRHNEHSOHP-ONXXMXGDSA-N 1 1 305.378 2.665 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000602781742 399570131 /nfs/dbraw/zinc/57/01/31/399570131.db2.gz VNNGEDOEPGDXMT-AWEZNQCLSA-N 1 1 316.405 2.971 20 5 DFBDMO CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000157939864 197229360 /nfs/dbraw/zinc/22/93/60/197229360.db2.gz YZFPDKIPMHPCFW-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](O)C2)s1 ZINC000157658379 197205929 /nfs/dbraw/zinc/20/59/29/197205929.db2.gz OLIDQYKCADFREZ-NSHDSACASA-N 1 1 304.371 2.890 20 5 DFBDMO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000423193642 296390729 /nfs/dbraw/zinc/39/07/29/296390729.db2.gz XPXZSFBZUFCJNN-AWEZNQCLSA-N 1 1 314.389 2.820 20 5 DFBDMO COc1ccc(Cl)cc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157619042 197202994 /nfs/dbraw/zinc/20/29/94/197202994.db2.gz PDMAYYSZPLVFSE-UHFFFAOYSA-N 1 1 324.768 2.585 20 5 DFBDMO COc1ccc(Cl)cc1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157619042 197202996 /nfs/dbraw/zinc/20/29/96/197202996.db2.gz PDMAYYSZPLVFSE-UHFFFAOYSA-N 1 1 324.768 2.585 20 5 DFBDMO CC1(C)C[C@H](NC[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000423206023 296392308 /nfs/dbraw/zinc/39/23/08/296392308.db2.gz FPDGHOLVAOOQCK-LRDDRELGSA-N 1 1 303.406 2.906 20 5 DFBDMO CC1(C)C[C@@H](NC[C@H]2CCC[NH2+]C2)c2cc([N+](=O)[O-])ccc21 ZINC000423206022 296392350 /nfs/dbraw/zinc/39/23/50/296392350.db2.gz FPDGHOLVAOOQCK-BLLLJJGKSA-N 1 1 303.406 2.906 20 5 DFBDMO Cn1cc(C[NH2+]C2(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])n1 ZINC000602806011 399582329 /nfs/dbraw/zinc/58/23/29/399582329.db2.gz ODWDDQSGPLBCSP-UHFFFAOYSA-N 1 1 306.753 2.761 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000602806131 399582437 /nfs/dbraw/zinc/58/24/37/399582437.db2.gz LVNWRPVFIAKDHO-KOLCDFICSA-N 1 1 320.315 2.763 20 5 DFBDMO O=[N+]([O-])c1cnccc1N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000361006641 285187839 /nfs/dbraw/zinc/18/78/39/285187839.db2.gz JAVQGRQGFAWTQU-GFCCVEGCSA-N 1 1 313.361 2.517 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC1(c2ccccc2)CC1 ZINC000602816277 399587683 /nfs/dbraw/zinc/58/76/83/399587683.db2.gz UHQAKYABJXVSNZ-UHFFFAOYSA-N 1 1 314.389 2.763 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000174823452 285189261 /nfs/dbraw/zinc/18/92/61/285189261.db2.gz RAICKNSBZVFKPN-MRXNPFEDSA-N 1 1 314.389 2.889 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000602825396 399590128 /nfs/dbraw/zinc/59/01/28/399590128.db2.gz SKHCNPZVYUAVBW-MRXNPFEDSA-N 1 1 318.352 2.670 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000602825396 399590136 /nfs/dbraw/zinc/59/01/36/399590136.db2.gz SKHCNPZVYUAVBW-MRXNPFEDSA-N 1 1 318.352 2.670 20 5 DFBDMO CCN(C#N)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602840808 399597706 /nfs/dbraw/zinc/59/77/06/399597706.db2.gz LVYWWMIZYMDCDF-HNNXBMFYSA-N 1 1 302.378 2.577 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000602843251 399598756 /nfs/dbraw/zinc/59/87/56/399598756.db2.gz ZKNPZPORBMNRIU-MRXNPFEDSA-N 1 1 314.389 2.979 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000156044746 197082364 /nfs/dbraw/zinc/08/23/64/197082364.db2.gz QLQJAMNYFONWSU-CYBMUJFWSA-N 1 1 320.393 2.709 20 5 DFBDMO C[C@@]1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC[NH2+]C1 ZINC000423323719 296404565 /nfs/dbraw/zinc/40/45/65/296404565.db2.gz AMPCFCLIIMGAEQ-IAGOWNOFSA-N 1 1 303.406 2.952 20 5 DFBDMO C[NH+]1CCC2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000602877372 399612037 /nfs/dbraw/zinc/61/20/37/399612037.db2.gz MISRDGVTIGTPLT-UHFFFAOYSA-N 1 1 307.369 2.652 20 5 DFBDMO C[NH+](C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000066048411 542456541 /nfs/dbraw/zinc/45/65/41/542456541.db2.gz XOBXRJJKARMRDM-INIZCTEOSA-N 1 1 313.357 2.514 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602884084 399614956 /nfs/dbraw/zinc/61/49/56/399614956.db2.gz ZOCWLWOFYQLIJX-AWEZNQCLSA-N 1 1 302.334 2.664 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602884084 399614961 /nfs/dbraw/zinc/61/49/61/399614961.db2.gz ZOCWLWOFYQLIJX-AWEZNQCLSA-N 1 1 302.334 2.664 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602887233 399615779 /nfs/dbraw/zinc/61/57/79/399615779.db2.gz NMKDTJBXJOVZPC-MRXNPFEDSA-N 1 1 316.361 2.924 20 5 DFBDMO O=C(C[NH+]1C[C@H]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000152886773 196833028 /nfs/dbraw/zinc/83/30/28/196833028.db2.gz FNLNVLQKDGERSS-GHMZBOCLSA-N 1 1 323.780 2.919 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+]2CCC=C(F)C2)cccc1[N+](=O)[O-] ZINC000271646168 209089923 /nfs/dbraw/zinc/08/99/23/209089923.db2.gz QYPHRMWUOPLZBL-UHFFFAOYSA-N 1 1 307.325 2.791 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2CCC=C(F)C2)cccc1[N+](=O)[O-] ZINC000271646168 209089927 /nfs/dbraw/zinc/08/99/27/209089927.db2.gz QYPHRMWUOPLZBL-UHFFFAOYSA-N 1 1 307.325 2.791 20 5 DFBDMO COc1ccc(C(C)(C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1F ZINC000602915644 399624546 /nfs/dbraw/zinc/62/45/46/399624546.db2.gz NRAQGCWPRSOJNO-UHFFFAOYSA-N 1 1 322.340 2.501 20 5 DFBDMO CSC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602919767 399627172 /nfs/dbraw/zinc/62/71/72/399627172.db2.gz IEXVJNVQZJJWRT-LLVKDONJSA-N 1 1 323.418 2.749 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289620728 221108926 /nfs/dbraw/zinc/10/89/26/221108926.db2.gz LOISKTFTFIOUSM-IUKJFTNHSA-N 1 1 302.374 2.758 20 5 DFBDMO CCOc1cc(C[N@@H+]2CCC[C@@H](OCC)C2)ccc1[N+](=O)[O-] ZINC000617201117 399628070 /nfs/dbraw/zinc/62/80/70/399628070.db2.gz NSOALDBOSNWSEZ-CQSZACIVSA-N 1 1 308.378 2.994 20 5 DFBDMO COCC[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1C ZINC000289722522 221179676 /nfs/dbraw/zinc/17/96/76/221179676.db2.gz HJIQUSLUVDKVPX-UHFFFAOYSA-N 1 1 315.373 2.947 20 5 DFBDMO COCC[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1C ZINC000289722522 221179679 /nfs/dbraw/zinc/17/96/79/221179679.db2.gz HJIQUSLUVDKVPX-UHFFFAOYSA-N 1 1 315.373 2.947 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000294922013 224313138 /nfs/dbraw/zinc/31/31/38/224313138.db2.gz YVXFMPDBTBPAQF-OAHLLOKOSA-N 1 1 321.377 2.566 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000294922013 224313140 /nfs/dbraw/zinc/31/31/40/224313140.db2.gz YVXFMPDBTBPAQF-OAHLLOKOSA-N 1 1 321.377 2.566 20 5 DFBDMO CN(C(=O)C[NH+]1CCC(CCF)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000602947001 399636012 /nfs/dbraw/zinc/63/60/12/399636012.db2.gz GNMNHQVUHHZRIG-UHFFFAOYSA-N 1 1 323.368 2.629 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC000602997461 399654789 /nfs/dbraw/zinc/65/47/89/399654789.db2.gz KQQFEABYXJXYJM-BBWFWOEESA-N 1 1 320.389 2.599 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602998171 399656093 /nfs/dbraw/zinc/65/60/93/399656093.db2.gz YMAUOLZLVOCRRT-PEYYIBSZSA-N 1 1 308.353 2.859 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000603017702 399659685 /nfs/dbraw/zinc/65/96/85/399659685.db2.gz JQYBAFRNPIQDOX-ZDUSSCGKSA-N 1 1 310.304 2.539 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[NH+]2CCCCC2)nn1 ZINC000603185785 399705228 /nfs/dbraw/zinc/70/52/28/399705228.db2.gz MJDBRBYGBDHTSI-CYBMUJFWSA-N 1 1 315.377 2.782 20 5 DFBDMO CC[NH+](CC)Cc1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218902 399713628 /nfs/dbraw/zinc/71/36/28/399713628.db2.gz NLBOVHNQBMWYSS-GFCCVEGCSA-N 1 1 303.366 2.637 20 5 DFBDMO CC[NH+](CC)Cc1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603252648 399724205 /nfs/dbraw/zinc/72/42/05/399724205.db2.gz XEORMDVJWMSEIU-CYBMUJFWSA-N 1 1 317.393 2.946 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000121017747 195280553 /nfs/dbraw/zinc/28/05/53/195280553.db2.gz JJRWRVKFXXIJJI-UHFFFAOYSA-N 1 1 312.373 2.768 20 5 DFBDMO CC[N@@H+](CCC1CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612854287 399737416 /nfs/dbraw/zinc/73/74/16/399737416.db2.gz CYHJIPGQLBMLSI-UHFFFAOYSA-N 1 1 306.362 2.988 20 5 DFBDMO CCC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000121930507 195376331 /nfs/dbraw/zinc/37/63/31/195376331.db2.gz DVNKATHZWSNMFJ-INIZCTEOSA-N 1 1 321.421 2.528 20 5 DFBDMO Cc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000122038672 195393246 /nfs/dbraw/zinc/39/32/46/195393246.db2.gz OFLOLBQGOIIFSP-CYBMUJFWSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122478013 195456373 /nfs/dbraw/zinc/45/63/73/195456373.db2.gz LSUNHOUWBJEICX-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1nn(CC[C@H]2CCCC[N@@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000603324495 399745001 /nfs/dbraw/zinc/74/50/01/399745001.db2.gz GVNKOMDRJCYOAT-GFCCVEGCSA-N 1 1 303.366 2.522 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)c1 ZINC000603395465 399764581 /nfs/dbraw/zinc/76/45/81/399764581.db2.gz FFBNQYYIANECCN-CVEARBPZSA-N 1 1 319.405 2.814 20 5 DFBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)s1 ZINC000603414712 399771170 /nfs/dbraw/zinc/77/11/70/399771170.db2.gz AYZZATFBVQRXLC-STQMWFEESA-N 1 1 316.386 2.514 20 5 DFBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)s1 ZINC000603414712 399771171 /nfs/dbraw/zinc/77/11/71/399771171.db2.gz AYZZATFBVQRXLC-STQMWFEESA-N 1 1 316.386 2.514 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000366650169 131282752 /nfs/dbraw/zinc/28/27/52/131282752.db2.gz DTQDVQPPRDCUTN-ZFWWWQNUSA-N 1 1 302.330 2.711 20 5 DFBDMO Cc1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000164181787 132130992 /nfs/dbraw/zinc/13/09/92/132130992.db2.gz FQUUDZLHGUATBF-JSGCOSHPSA-N 1 1 320.393 2.753 20 5 DFBDMO CCC(CC)[C@@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000603845619 399808711 /nfs/dbraw/zinc/80/87/11/399808711.db2.gz BCPKYJNGNWBLGK-OAHLLOKOSA-N 1 1 322.409 2.539 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC000604554329 399855471 /nfs/dbraw/zinc/85/54/71/399855471.db2.gz PMMCFHAIBITGLZ-NSHDSACASA-N 1 1 308.363 2.727 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC000604554329 399855474 /nfs/dbraw/zinc/85/54/74/399855474.db2.gz PMMCFHAIBITGLZ-NSHDSACASA-N 1 1 308.363 2.727 20 5 DFBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000604556261 399855712 /nfs/dbraw/zinc/85/57/12/399855712.db2.gz CANGJEGOVJOECG-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246670910 146148468 /nfs/dbraw/zinc/14/84/68/146148468.db2.gz LGUAOJUCLNLGFX-JSGCOSHPSA-N 1 1 308.378 2.729 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000246701551 146150760 /nfs/dbraw/zinc/15/07/60/146150760.db2.gz NICYFESTAXUWQE-DZGCQCFKSA-N 1 1 306.362 2.604 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000246701575 146151109 /nfs/dbraw/zinc/15/11/09/146151109.db2.gz NICYFESTAXUWQE-ZFWWWQNUSA-N 1 1 306.362 2.604 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000249004816 146182155 /nfs/dbraw/zinc/18/21/55/146182155.db2.gz SFOWWWSBVXPQOM-OCCSQVGLSA-N 1 1 318.377 2.604 20 5 DFBDMO CC1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000355323442 147264154 /nfs/dbraw/zinc/26/41/54/147264154.db2.gz SAXBTFSROWWIEE-UHFFFAOYSA-N 1 1 323.780 2.630 20 5 DFBDMO CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000355354513 147281129 /nfs/dbraw/zinc/28/11/29/147281129.db2.gz LIYSMWBGMRNNLR-GDBMZVCRSA-N 1 1 322.405 2.845 20 5 DFBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000357736890 148102152 /nfs/dbraw/zinc/10/21/52/148102152.db2.gz CMVILNJNMVRSDT-FMKPAKJESA-N 1 1 322.405 2.845 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000357774407 148117823 /nfs/dbraw/zinc/11/78/23/148117823.db2.gz KNKASWAINJOGDV-SNVBAGLBSA-N 1 1 311.411 2.836 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCn4cc[nH+]c4C3)n2)s1 ZINC000350253691 286021708 /nfs/dbraw/zinc/02/17/08/286021708.db2.gz KPPHRRQCTKOTNQ-QMMMGPOBSA-N 1 1 317.330 2.633 20 5 DFBDMO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000358170658 148269931 /nfs/dbraw/zinc/26/99/31/148269931.db2.gz FDNCIJHNOLFASB-ZBFHGGJFSA-N 1 1 305.422 2.990 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000358315598 148326925 /nfs/dbraw/zinc/32/69/25/148326925.db2.gz WYCAIIOTXFVJJL-LBPRGKRZSA-N 1 1 307.394 2.753 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000358360152 148341629 /nfs/dbraw/zinc/34/16/29/148341629.db2.gz VLIBXEKZMUCUCX-ZDUSSCGKSA-N 1 1 321.421 2.682 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000360996374 149002151 /nfs/dbraw/zinc/00/21/51/149002151.db2.gz SJDOGANSVPWAJJ-CQSZACIVSA-N 1 1 321.425 2.796 20 5 DFBDMO Cc1ccc(-c2noc([C@H]3C[N@H+](C)C[C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000361023330 149011278 /nfs/dbraw/zinc/01/12/78/149011278.db2.gz UYZHCGMWKCOHFV-JQWIXIFHSA-N 1 1 302.334 2.618 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000361343155 149090232 /nfs/dbraw/zinc/09/02/32/149090232.db2.gz VBSLSAWTSZFYAP-LXZKKBNFSA-N 1 1 320.389 2.599 20 5 DFBDMO COc1cc(C[N@H+](C)Cc2cnccc2C)ccc1[N+](=O)[O-] ZINC000361444312 149117056 /nfs/dbraw/zinc/11/70/56/149117056.db2.gz LYKJEMZBJJYKCA-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO COc1cc(C[N@@H+](C)Cc2cnccc2C)ccc1[N+](=O)[O-] ZINC000361444312 149117061 /nfs/dbraw/zinc/11/70/61/149117061.db2.gz LYKJEMZBJJYKCA-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361471722 149124139 /nfs/dbraw/zinc/12/41/39/149124139.db2.gz UACYLMGUJBTLKZ-INIZCTEOSA-N 1 1 313.357 2.643 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000361652147 149180960 /nfs/dbraw/zinc/18/09/60/149180960.db2.gz HUIUKXXQKFUYER-KGLIPLIRSA-N 1 1 318.377 2.652 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1CO ZINC000361654925 149181921 /nfs/dbraw/zinc/18/19/21/149181921.db2.gz MYGKGTDOLVZRSU-STQMWFEESA-N 1 1 316.357 2.915 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371368136 150031902 /nfs/dbraw/zinc/03/19/02/150031902.db2.gz CODWSJKTEICASE-INIZCTEOSA-N 1 1 311.341 2.511 20 5 DFBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371368136 150031904 /nfs/dbraw/zinc/03/19/04/150031904.db2.gz CODWSJKTEICASE-INIZCTEOSA-N 1 1 311.341 2.511 20 5 DFBDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000351602868 286166134 /nfs/dbraw/zinc/16/61/34/286166134.db2.gz JCKKTEADNZIMMX-QWRGUYRKSA-N 1 1 324.356 2.680 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351603537 286166154 /nfs/dbraw/zinc/16/61/54/286166154.db2.gz AWRIWQSZLHQXSZ-AWEZNQCLSA-N 1 1 324.356 2.538 20 5 DFBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000372764870 150182126 /nfs/dbraw/zinc/18/21/26/150182126.db2.gz ZJXZBEIPDVGWLL-NSHDSACASA-N 1 1 323.418 2.745 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H](OC)CC2)ccc1[N+](=O)[O-] ZINC000372804483 150187401 /nfs/dbraw/zinc/18/74/01/150187401.db2.gz MPCPHBSNFLVWMV-CQSZACIVSA-N 1 1 308.378 2.994 20 5 DFBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000372813242 150188214 /nfs/dbraw/zinc/18/82/14/150188214.db2.gz FEPCIGWDBLFFEW-MRXNPFEDSA-N 1 1 313.357 2.952 20 5 DFBDMO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373967310 150285202 /nfs/dbraw/zinc/28/52/02/150285202.db2.gz GYTNGLYBEJSIIC-CKEIUWERSA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373967310 150285204 /nfs/dbraw/zinc/28/52/04/150285204.db2.gz GYTNGLYBEJSIIC-CKEIUWERSA-N 1 1 320.389 2.753 20 5 DFBDMO CC(=O)c1ccc(NC[C@@H]2CCCn3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000374423600 150364574 /nfs/dbraw/zinc/36/45/74/150364574.db2.gz SSOQZQBFUHNHNC-ZDUSSCGKSA-N 1 1 314.345 2.983 20 5 DFBDMO CC(=O)c1ccc(NC[C@H]2CCCn3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000374423599 150365453 /nfs/dbraw/zinc/36/54/53/150365453.db2.gz SSOQZQBFUHNHNC-CYBMUJFWSA-N 1 1 314.345 2.983 20 5 DFBDMO CC[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000374444215 150368533 /nfs/dbraw/zinc/36/85/33/150368533.db2.gz PVMOVODECZJGQW-UKRRQHHQSA-N 1 1 300.362 2.916 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374530773 150374207 /nfs/dbraw/zinc/37/42/07/150374207.db2.gz OKVKGTXWUFTKFX-LLVKDONJSA-N 1 1 321.768 2.746 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374530773 150374211 /nfs/dbraw/zinc/37/42/11/150374211.db2.gz OKVKGTXWUFTKFX-LLVKDONJSA-N 1 1 321.768 2.746 20 5 DFBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@@H]1O ZINC000351818299 286225474 /nfs/dbraw/zinc/22/54/74/286225474.db2.gz GIRDYDZMEINQNC-KGLIPLIRSA-N 1 1 300.305 2.608 20 5 DFBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@@H]1O ZINC000351818299 286225475 /nfs/dbraw/zinc/22/54/75/286225475.db2.gz GIRDYDZMEINQNC-KGLIPLIRSA-N 1 1 300.305 2.608 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000351881547 286236226 /nfs/dbraw/zinc/23/62/26/286236226.db2.gz NCYNECCJZIWCMB-BMIGLBTASA-N 1 1 312.316 2.874 20 5 DFBDMO 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20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)nc1 ZINC000118866428 426249907 /nfs/dbraw/zinc/24/99/07/426249907.db2.gz DAVOCDFRPRNSFY-CQSZACIVSA-N 1 1 316.336 2.815 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000175216443 426289273 /nfs/dbraw/zinc/28/92/73/426289273.db2.gz VJDYFOCHTIIFMC-ZDUSSCGKSA-N 1 1 308.378 2.852 20 5 DFBDMO C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000089912499 426318308 /nfs/dbraw/zinc/31/83/08/426318308.db2.gz IOPUWZMOIWDRQT-MJBXVCDLSA-N 1 1 319.405 2.515 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175039896 426275665 /nfs/dbraw/zinc/27/56/65/426275665.db2.gz HZQGKEYNBWNBET-HUUCEWRRSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153617146 426395372 /nfs/dbraw/zinc/39/53/72/426395372.db2.gz VGDITBGRDXYVFN-UHFFFAOYSA-N 1 1 300.742 2.633 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000153732281 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317.345 2.529 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000122586449 426382695 /nfs/dbraw/zinc/38/26/95/426382695.db2.gz MGBMNTPUCAHKTK-WCQYABFASA-N 1 1 305.378 2.820 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000176986804 426430619 /nfs/dbraw/zinc/43/06/19/426430619.db2.gz NNSDCERJZIBOOH-KXKDPZRNSA-N 1 1 317.389 2.551 20 5 DFBDMO C[C@H](c1ccccn1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000177030284 426435606 /nfs/dbraw/zinc/43/56/06/426435606.db2.gz RTSMYWLGADAIHZ-CQSZACIVSA-N 1 1 312.373 2.873 20 5 DFBDMO Cc1c(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177097906 426443470 /nfs/dbraw/zinc/44/34/70/426443470.db2.gz PNOUJUGHMIYIIY-AAEUAGOBSA-N 1 1 318.377 2.604 20 5 DFBDMO Cc1ccnc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000154900582 426458980 /nfs/dbraw/zinc/45/89/80/426458980.db2.gz IZZQBRBBPKLQAB-ZDUSSCGKSA-N 1 1 304.394 2.751 20 5 DFBDMO Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000154933038 426460107 /nfs/dbraw/zinc/46/01/07/426460107.db2.gz IDHLAUDGZDMWOO-ZDUSSCGKSA-N 1 1 304.394 2.751 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177443572 426479433 /nfs/dbraw/zinc/47/94/33/426479433.db2.gz UGHXCEKXRHZQGM-AWEZNQCLSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000177443572 426479435 /nfs/dbraw/zinc/47/94/35/426479435.db2.gz UGHXCEKXRHZQGM-AWEZNQCLSA-N 1 1 312.753 2.633 20 5 DFBDMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000098144826 426480639 /nfs/dbraw/zinc/48/06/39/426480639.db2.gz MZTWKTMRHSWSDO-INIZCTEOSA-N 1 1 310.394 2.591 20 5 DFBDMO Cc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000264206144 426517393 /nfs/dbraw/zinc/51/73/93/426517393.db2.gz SCJLRUOGJXDGMS-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000177786269 426520014 /nfs/dbraw/zinc/52/00/14/426520014.db2.gz HCPARELXXLRDNT-NEPJUHHUSA-N 1 1 323.418 2.664 20 5 DFBDMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000195517794 426533121 /nfs/dbraw/zinc/53/31/21/426533121.db2.gz AIJXLPWZAYRCIV-AWEZNQCLSA-N 1 1 316.361 2.741 20 5 DFBDMO CC(C)[N@@H+](CC[C@H]1CCOC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000177658676 426502130 /nfs/dbraw/zinc/50/21/30/426502130.db2.gz KRBMDEGNKBFWHS-AWEZNQCLSA-N 1 1 306.362 2.758 20 5 DFBDMO Cn1cc([C@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000264147549 426505650 /nfs/dbraw/zinc/50/56/50/426505650.db2.gz ZKGSBEPEENGLJV-MRXNPFEDSA-N 1 1 316.361 2.544 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000280520757 426593209 /nfs/dbraw/zinc/59/32/09/426593209.db2.gz OERFSCWLDKRYLF-LBPRGKRZSA-N 1 1 308.378 2.586 20 5 DFBDMO O=C(C[N@@H+]1CCC[C@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289156248 426595161 /nfs/dbraw/zinc/59/51/61/426595161.db2.gz DHHSOHIOOHBRMZ-ZDUSSCGKSA-N 1 1 303.362 2.655 20 5 DFBDMO O=C(C[N@H+]1CCC[C@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289156248 426595165 /nfs/dbraw/zinc/59/51/65/426595165.db2.gz DHHSOHIOOHBRMZ-ZDUSSCGKSA-N 1 1 303.362 2.655 20 5 DFBDMO CSc1ccccc1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000280544443 426595872 /nfs/dbraw/zinc/59/58/72/426595872.db2.gz TWWIUIQWXGQMRL-UHFFFAOYSA-N 1 1 306.391 2.645 20 5 DFBDMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000178320959 426605944 /nfs/dbraw/zinc/60/59/44/426605944.db2.gz NZJHIYKXEOBGFP-MRXNPFEDSA-N 1 1 300.362 2.764 20 5 DFBDMO CC(C)C[N@@H+]1CCO[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000178332207 426609033 /nfs/dbraw/zinc/60/90/33/426609033.db2.gz ZOUGJTQJCVXBEO-YOEHRIQHSA-N 1 1 321.421 2.602 20 5 DFBDMO CC(C)C[N@H+]1CCO[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000178332207 426609038 /nfs/dbraw/zinc/60/90/38/426609038.db2.gz ZOUGJTQJCVXBEO-YOEHRIQHSA-N 1 1 321.421 2.602 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000272562071 426557771 /nfs/dbraw/zinc/55/77/71/426557771.db2.gz LWKQEKPYFWSOMT-CHWSQXEVSA-N 1 1 308.378 2.585 20 5 DFBDMO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000289375047 426640306 /nfs/dbraw/zinc/64/03/06/426640306.db2.gz BEMMWFFIKWLSJO-UHFFFAOYSA-N 1 1 315.373 2.947 20 5 DFBDMO COCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000289375047 426640308 /nfs/dbraw/zinc/64/03/08/426640308.db2.gz BEMMWFFIKWLSJO-UHFFFAOYSA-N 1 1 315.373 2.947 20 5 DFBDMO Cn1cc(CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000265565518 426655456 /nfs/dbraw/zinc/65/54/56/426655456.db2.gz GKASYNLDQWDKRG-UHFFFAOYSA-N 1 1 308.769 2.656 20 5 DFBDMO Cn1cc(CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000265565518 426655458 /nfs/dbraw/zinc/65/54/58/426655458.db2.gz GKASYNLDQWDKRG-UHFFFAOYSA-N 1 1 308.769 2.656 20 5 DFBDMO Cn1cccc1[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178867485 426709980 /nfs/dbraw/zinc/70/99/80/426709980.db2.gz MVFQLOJHWBRCKE-IRXDYDNUSA-N 1 1 315.373 2.804 20 5 DFBDMO CC(C)OCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265843924 426698320 /nfs/dbraw/zinc/69/83/20/426698320.db2.gz GYNMWVBAMSVXSU-ZDUSSCGKSA-N 1 1 323.393 2.669 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266880608 426788198 /nfs/dbraw/zinc/78/81/98/426788198.db2.gz WQDCKFCNKOHVTB-BXKDBHETSA-N 1 1 304.268 2.655 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266880608 426788199 /nfs/dbraw/zinc/78/81/99/426788199.db2.gz WQDCKFCNKOHVTB-BXKDBHETSA-N 1 1 304.268 2.655 20 5 DFBDMO COC(=O)CC1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000281637553 426734348 /nfs/dbraw/zinc/73/43/48/426734348.db2.gz MALQSFUMPODVLK-UHFFFAOYSA-N 1 1 318.373 2.903 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179521262 426798245 /nfs/dbraw/zinc/79/82/45/426798245.db2.gz FJBYBNXTMDHEOT-CYBMUJFWSA-N 1 1 321.421 2.980 20 5 DFBDMO COc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000290745366 426829321 /nfs/dbraw/zinc/82/93/21/426829321.db2.gz HWJMARQIXNMCOE-NXEZZACHSA-N 1 1 309.341 2.780 20 5 DFBDMO COc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000290800013 426840512 /nfs/dbraw/zinc/84/05/12/426840512.db2.gz POPBYVFNBLHRLU-NXEZZACHSA-N 1 1 309.341 2.780 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000246584544 426848093 /nfs/dbraw/zinc/84/80/93/426848093.db2.gz GFOKWCXFRSTXPX-NEPJUHHUSA-N 1 1 305.378 2.562 20 5 DFBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000267246054 426854620 /nfs/dbraw/zinc/85/46/20/426854620.db2.gz SWRJJPBTCBFHOX-ZDUSSCGKSA-N 1 1 304.325 2.908 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000282218186 426855131 /nfs/dbraw/zinc/85/51/31/426855131.db2.gz DUYDDPCXXAFPJI-JQWIXIFHSA-N 1 1 312.341 2.742 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000282218186 426855134 /nfs/dbraw/zinc/85/51/34/426855134.db2.gz DUYDDPCXXAFPJI-JQWIXIFHSA-N 1 1 312.341 2.742 20 5 DFBDMO COC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000189481269 426865360 /nfs/dbraw/zinc/86/53/60/426865360.db2.gz VLWHEJFEFCGWSX-GUTXKFCHSA-N 1 1 308.378 2.700 20 5 DFBDMO COC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)O1 ZINC000189481269 426865364 /nfs/dbraw/zinc/86/53/64/426865364.db2.gz VLWHEJFEFCGWSX-GUTXKFCHSA-N 1 1 308.378 2.700 20 5 DFBDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000282323978 426880830 /nfs/dbraw/zinc/88/08/30/426880830.db2.gz AFVIRNMKAMPDSP-ZDUSSCGKSA-N 1 1 307.394 2.657 20 5 DFBDMO COC(=O)c1occc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282330440 426884573 /nfs/dbraw/zinc/88/45/73/426884573.db2.gz AZGQEQCEPPCPML-UHFFFAOYSA-N 1 1 318.329 2.649 20 5 DFBDMO COC(=O)c1occc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282330440 426884579 /nfs/dbraw/zinc/88/45/79/426884579.db2.gz AZGQEQCEPPCPML-UHFFFAOYSA-N 1 1 318.329 2.649 20 5 DFBDMO CC(C)c1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000189796517 426952744 /nfs/dbraw/zinc/95/27/44/426952744.db2.gz CLUJYFSCHNRSAG-CYBMUJFWSA-N 1 1 305.378 2.542 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283104887 426954461 /nfs/dbraw/zinc/95/44/61/426954461.db2.gz MAZNUJGLFNVUTR-ZIAGYGMSSA-N 1 1 307.369 2.793 20 5 DFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1cccnc1 ZINC000295429505 426954935 /nfs/dbraw/zinc/95/49/35/426954935.db2.gz FPRYUNJTANAWNW-KRWDZBQOSA-N 1 1 315.373 2.934 20 5 DFBDMO CC(C)C[C@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000248245470 426988174 /nfs/dbraw/zinc/98/81/74/426988174.db2.gz GQTBDTBKGLLTGN-CQSZACIVSA-N 1 1 307.394 2.754 20 5 DFBDMO CSC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283292981 426992004 /nfs/dbraw/zinc/99/20/04/426992004.db2.gz MTIPOOQAMKKENY-LBPRGKRZSA-N 1 1 323.418 2.751 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000248888099 427059255 /nfs/dbraw/zinc/05/92/55/427059255.db2.gz IHRWVLCUHRQCJQ-GXTWGEPZSA-N 1 1 306.362 2.534 20 5 DFBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CC2)C1 ZINC000296057572 427060432 /nfs/dbraw/zinc/06/04/32/427060432.db2.gz PCMBYFJPNIMXOR-GFCCVEGCSA-N 1 1 307.369 2.650 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC2(CCCC2)C1 ZINC000181929928 426996447 /nfs/dbraw/zinc/99/64/47/426996447.db2.gz WZYDCXRARAKBID-CQSZACIVSA-N 1 1 320.389 2.601 20 5 DFBDMO CC(C)c1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000276177841 427000581 /nfs/dbraw/zinc/00/05/81/427000581.db2.gz SSGFZQRNKWBTEO-UHFFFAOYSA-N 1 1 317.389 2.710 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268463898 427024896 /nfs/dbraw/zinc/02/48/96/427024896.db2.gz LKBCNOMWZOOQDD-AAEUAGOBSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000268463898 427024901 /nfs/dbraw/zinc/02/49/01/427024901.db2.gz LKBCNOMWZOOQDD-AAEUAGOBSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000268463898 427024909 /nfs/dbraw/zinc/02/49/09/427024909.db2.gz LKBCNOMWZOOQDD-AAEUAGOBSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268463898 427024914 /nfs/dbraw/zinc/02/49/14/427024914.db2.gz LKBCNOMWZOOQDD-AAEUAGOBSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268463898 427024919 /nfs/dbraw/zinc/02/49/19/427024919.db2.gz LKBCNOMWZOOQDD-AAEUAGOBSA-N 1 1 315.377 2.962 20 5 DFBDMO CCN1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000190201323 427042215 /nfs/dbraw/zinc/04/22/15/427042215.db2.gz PYQPKVSKESLGRU-ZDUSSCGKSA-N 1 1 305.378 2.518 20 5 DFBDMO CCN1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000190201323 427042222 /nfs/dbraw/zinc/04/22/22/427042222.db2.gz PYQPKVSKESLGRU-ZDUSSCGKSA-N 1 1 305.378 2.518 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCSC[C@H](C)C1 ZINC000248972798 427070477 /nfs/dbraw/zinc/07/04/77/427070477.db2.gz DMPJSAGFNUGZHP-VXGBXAGGSA-N 1 1 323.418 2.607 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249046583 427078796 /nfs/dbraw/zinc/07/87/96/427078796.db2.gz HLMSFAJXPANGGH-SMDDNHRTSA-N 1 1 306.362 2.534 20 5 DFBDMO COC(=O)C[C@H]1CSCC[N@@H+]1[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000268651924 427080391 /nfs/dbraw/zinc/08/03/91/427080391.db2.gz VBQCUVSTFAWEKL-NEPJUHHUSA-N 1 1 324.402 2.636 20 5 DFBDMO COC(=O)C[C@H]1CSCC[N@H+]1[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000268651924 427080397 /nfs/dbraw/zinc/08/03/97/427080397.db2.gz VBQCUVSTFAWEKL-NEPJUHHUSA-N 1 1 324.402 2.636 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](CCO)Cc1cccnc1 ZINC000268673930 427088798 /nfs/dbraw/zinc/08/87/98/427088798.db2.gz KUEDSJTUMVSJMT-ZDUSSCGKSA-N 1 1 301.346 2.545 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](CCO)Cc1cccnc1 ZINC000268673930 427088803 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ZINC000264624062 271277519 /nfs/dbraw/zinc/27/75/19/271277519.db2.gz BUXZQWWWTHNZNW-ZDUSSCGKSA-N 1 1 305.378 2.507 20 5 DFBDMO COC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000251981805 427170965 /nfs/dbraw/zinc/17/09/65/427170965.db2.gz VLWHEJFEFCGWSX-NFAWXSAZSA-N 1 1 308.378 2.700 20 5 DFBDMO COC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000251981805 427170968 /nfs/dbraw/zinc/17/09/68/427170968.db2.gz VLWHEJFEFCGWSX-NFAWXSAZSA-N 1 1 308.378 2.700 20 5 DFBDMO CCOCC[N@H+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000252353140 427172970 /nfs/dbraw/zinc/17/29/70/427172970.db2.gz RZQCYUPROKCTLJ-HUUCEWRRSA-N 1 1 321.421 2.698 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277362530 427177263 /nfs/dbraw/zinc/17/72/63/427177263.db2.gz BASXEMPKUMJDTQ-LBPRGKRZSA-N 1 1 317.393 2.639 20 5 DFBDMO CCN(C)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000190783178 427178422 /nfs/dbraw/zinc/17/84/22/427178422.db2.gz 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DFBDMO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000293910221 427485191 /nfs/dbraw/zinc/48/51/91/427485191.db2.gz WVHXGIAOHOALBV-TVQRCGJNSA-N 1 1 318.295 2.816 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000293910221 427485198 /nfs/dbraw/zinc/48/51/98/427485198.db2.gz WVHXGIAOHOALBV-TVQRCGJNSA-N 1 1 318.295 2.816 20 5 DFBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000286336980 427495671 /nfs/dbraw/zinc/49/56/71/427495671.db2.gz GHAUCUFYNAAPCZ-HNNXBMFYSA-N 1 1 319.405 2.784 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000332049277 427495933 /nfs/dbraw/zinc/49/59/33/427495933.db2.gz ZLYFWBNEKQGTIC-IMJJTQAJSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000332049277 427495941 /nfs/dbraw/zinc/49/59/41/427495941.db2.gz ZLYFWBNEKQGTIC-IMJJTQAJSA-N 1 1 318.373 2.901 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000332055413 427498287 /nfs/dbraw/zinc/49/82/87/427498287.db2.gz OKKYPFXSHGIZDF-ZDUSSCGKSA-N 1 1 317.389 2.748 20 5 DFBDMO Cc1noc([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000332069340 427500595 /nfs/dbraw/zinc/50/05/95/427500595.db2.gz BBAFNKVNOIJSGE-ZDUSSCGKSA-N 1 1 302.334 2.584 20 5 DFBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000332236603 427555318 /nfs/dbraw/zinc/55/53/18/427555318.db2.gz QFAAMSUIUGFYLO-QWRGUYRKSA-N 1 1 317.345 2.506 20 5 DFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000332236603 427555327 /nfs/dbraw/zinc/55/53/27/427555327.db2.gz QFAAMSUIUGFYLO-QWRGUYRKSA-N 1 1 317.345 2.506 20 5 DFBDMO COCCc1cc[nH+]c(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000294026429 427526918 /nfs/dbraw/zinc/52/69/18/427526918.db2.gz FGRBQHYFWZZYSX-NSHDSACASA-N 1 1 316.361 2.934 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000332162279 427528557 /nfs/dbraw/zinc/52/85/57/427528557.db2.gz QFWCPQXFNWVABR-CVEARBPZSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000332162279 427528563 /nfs/dbraw/zinc/52/85/63/427528563.db2.gz QFWCPQXFNWVABR-CVEARBPZSA-N 1 1 306.362 2.617 20 5 DFBDMO CCOC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000298202419 427534657 /nfs/dbraw/zinc/53/46/57/427534657.db2.gz CMXJZRKUNYCXJS-UHFFFAOYSA-N 1 1 323.349 2.894 20 5 DFBDMO O=[N+]([O-])c1c[nH]c(-c2csc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2)c1 ZINC000338899822 427547015 /nfs/dbraw/zinc/54/70/15/427547015.db2.gz IOGDEQUUZCKCKR-RNCFNFMXSA-N 1 1 320.374 2.582 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000332454867 427616102 /nfs/dbraw/zinc/61/61/02/427616102.db2.gz GGOVBWRKPSNFLG-HUUCEWRRSA-N 1 1 319.405 2.532 20 5 DFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000192643776 427579387 /nfs/dbraw/zinc/57/93/87/427579387.db2.gz YHQFFJYAYYQMFA-INIZCTEOSA-N 1 1 300.358 2.630 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272082004 427625686 /nfs/dbraw/zinc/62/56/86/427625686.db2.gz HJSHPLGJPNDLTG-DOMZBBRYSA-N 1 1 305.378 2.646 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000264024830 427637824 /nfs/dbraw/zinc/63/78/24/427637824.db2.gz XYOHZCSLOQOYJF-WBVHZDCISA-N 1 1 320.389 2.599 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342554001 272023301 /nfs/dbraw/zinc/02/33/01/272023301.db2.gz AFGOGRRVGXCSJJ-LBPRGKRZSA-N 1 1 308.382 2.837 20 5 DFBDMO Cc1cc[nH+]c(N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000342657025 272037149 /nfs/dbraw/zinc/03/71/49/272037149.db2.gz FVXUIDLJINNSOG-UHFFFAOYSA-N 1 1 316.336 2.764 20 5 DFBDMO CC[N@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000343295498 272114017 /nfs/dbraw/zinc/11/40/17/272114017.db2.gz XYGXYOZEHGLJEK-CYBMUJFWSA-N 1 1 314.389 2.982 20 5 DFBDMO C[C@@]1(F)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295058653 427677391 /nfs/dbraw/zinc/67/73/91/427677391.db2.gz BEBMAVNQQINLNY-OAHLLOKOSA-N 1 1 309.341 2.747 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(COC)C1 ZINC000295046788 427672575 /nfs/dbraw/zinc/67/25/75/427672575.db2.gz FHEGSJDLZXJFKG-INIZCTEOSA-N 1 1 308.378 2.852 20 5 DFBDMO COc1cc(C[N@@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000343449267 272150277 /nfs/dbraw/zinc/15/02/77/272150277.db2.gz VYOPOBYERYHZCX-CYBMUJFWSA-N 1 1 324.377 2.613 20 5 DFBDMO Cc1ccnc(N2CC([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000343606788 272181711 /nfs/dbraw/zinc/18/17/11/272181711.db2.gz KFSZWGMMZOMZFN-UHFFFAOYSA-N 1 1 312.373 2.619 20 5 DFBDMO COc1cc(CN2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000343754774 272212889 /nfs/dbraw/zinc/21/28/89/272212889.db2.gz WCWKDGIJQAOJFY-UHFFFAOYSA-N 1 1 319.405 2.664 20 5 DFBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])s1 ZINC000343800216 272222083 /nfs/dbraw/zinc/22/20/83/272222083.db2.gz DCHZVVJBUGBDQY-UHFFFAOYSA-N 1 1 310.379 2.603 20 5 DFBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])nc1 ZINC000343806449 272223809 /nfs/dbraw/zinc/22/38/09/272223809.db2.gz KBLOGAKFGXUIRS-UHFFFAOYSA-N 1 1 304.350 2.541 20 5 DFBDMO CC[C@H](CO)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295069255 427679874 /nfs/dbraw/zinc/67/98/74/427679874.db2.gz HGEVADNYIQMNIV-CYBMUJFWSA-N 1 1 321.402 2.921 20 5 DFBDMO CC[C@H](CO)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295069255 427679879 /nfs/dbraw/zinc/67/98/79/427679879.db2.gz HGEVADNYIQMNIV-CYBMUJFWSA-N 1 1 321.402 2.921 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000298699313 427680619 /nfs/dbraw/zinc/68/06/19/427680619.db2.gz BEWQMIYUPUNLHG-CYBMUJFWSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000185640228 427682538 /nfs/dbraw/zinc/68/25/38/427682538.db2.gz KEVWDZSKZRINAV-RISCZKNCSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cccc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344610852 272347757 /nfs/dbraw/zinc/34/77/57/272347757.db2.gz IBNSRFAWLTZDCX-CQSZACIVSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1nc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000295097315 427690868 /nfs/dbraw/zinc/69/08/68/427690868.db2.gz SWKVHOHAHSQKMB-GFCCVEGCSA-N 1 1 315.377 2.626 20 5 DFBDMO CCc1cc(NCCNc2ccccc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000301366188 427791041 /nfs/dbraw/zinc/79/10/41/427791041.db2.gz SJEXPNUWAMUWMN-UHFFFAOYSA-N 1 1 301.350 2.780 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000336874498 427769659 /nfs/dbraw/zinc/76/96/59/427769659.db2.gz ZEAGENMDOSGJAE-XHSDSOJGSA-N 1 1 320.389 2.729 20 5 DFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000301363335 427791088 /nfs/dbraw/zinc/79/10/88/427791088.db2.gz PSEFFDFZUHDMBS-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000339431218 427774083 /nfs/dbraw/zinc/77/40/83/427774083.db2.gz WOGJIFOAZONNNQ-MRXNPFEDSA-N 1 1 307.369 2.652 20 5 DFBDMO CCCC[N@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301267086 427785742 /nfs/dbraw/zinc/78/57/42/427785742.db2.gz WMVDRZYEKXAQMX-ZDUSSCGKSA-N 1 1 309.414 2.703 20 5 DFBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000334042715 427733645 /nfs/dbraw/zinc/73/36/45/427733645.db2.gz WXIGZJPFZDHZAK-QWRGUYRKSA-N 1 1 323.418 2.529 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)c1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301485864 427799278 /nfs/dbraw/zinc/79/92/78/427799278.db2.gz XBSLIZVRLQKZDK-NSHDSACASA-N 1 1 311.357 2.663 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000301599750 427808851 /nfs/dbraw/zinc/80/88/51/427808851.db2.gz UPMWKARIFYNPFP-UHFFFAOYSA-N 1 1 318.764 2.970 20 5 DFBDMO CCOc1cc(NC[C@@H](C)[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301600732 427809037 /nfs/dbraw/zinc/80/90/37/427809037.db2.gz VBZNZQRHVRLSMC-OLZOCXBDSA-N 1 1 323.393 2.515 20 5 DFBDMO CCOc1cc(NC[C@@H](C)[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301600732 427809040 /nfs/dbraw/zinc/80/90/40/427809040.db2.gz VBZNZQRHVRLSMC-OLZOCXBDSA-N 1 1 323.393 2.515 20 5 DFBDMO CN(C)c1cc[nH+]c(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000301775305 427823806 /nfs/dbraw/zinc/82/38/06/427823806.db2.gz QMPPRQXWGIEZCA-UHFFFAOYSA-N 1 1 313.361 2.620 20 5 DFBDMO C[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000301872744 427831961 /nfs/dbraw/zinc/83/19/61/427831961.db2.gz XIHPPIGPPBGIPY-DZGCQCFKSA-N 1 1 316.336 2.986 20 5 DFBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000355739820 427868424 /nfs/dbraw/zinc/86/84/24/427868424.db2.gz BKPIWLNXFYZKII-QGZVFWFLSA-N 1 1 322.405 2.847 20 5 DFBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000355784246 427891630 /nfs/dbraw/zinc/89/16/30/427891630.db2.gz IOQFNKUMOZEDQD-HOSILWTGSA-N 1 1 322.405 2.701 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000350014779 427923000 /nfs/dbraw/zinc/92/30/00/427923000.db2.gz QLZVJSVLUCMDDV-HNNXBMFYSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000350014779 427923007 /nfs/dbraw/zinc/92/30/07/427923007.db2.gz QLZVJSVLUCMDDV-HNNXBMFYSA-N 1 1 319.405 2.640 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)[C@H]2C1 ZINC000413226091 427995267 /nfs/dbraw/zinc/99/52/67/427995267.db2.gz CWFWVCCYLWAMST-LRDDRELGSA-N 1 1 312.373 2.673 20 5 DFBDMO CC[N@@H+](CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000340956538 427964249 /nfs/dbraw/zinc/96/42/49/427964249.db2.gz OHMPCJICQGPHGQ-ZDUSSCGKSA-N 1 1 322.409 2.685 20 5 DFBDMO CC(C)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000376769754 427995553 /nfs/dbraw/zinc/99/55/53/427995553.db2.gz VAHLUJWNDZZXRG-UHFFFAOYSA-N 1 1 312.801 2.811 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000376741441 427990422 /nfs/dbraw/zinc/99/04/22/427990422.db2.gz HMGVYUXHHAEVSA-UHFFFAOYSA-N 1 1 301.350 2.645 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CCCO ZINC000304514385 427939355 /nfs/dbraw/zinc/93/93/55/427939355.db2.gz UYIHUQKFMZBDCI-CQSZACIVSA-N 1 1 308.378 2.730 20 5 DFBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355915893 427946105 /nfs/dbraw/zinc/94/61/05/427946105.db2.gz PYKTYKZDLMVMTB-QWHCGFSZSA-N 1 1 313.361 2.632 20 5 DFBDMO CSC1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000356126653 428032179 /nfs/dbraw/zinc/03/21/79/428032179.db2.gz MUZBBYCSFWCTPS-GFCCVEGCSA-N 1 1 322.434 2.762 20 5 DFBDMO Cc1cc(N2CC[NH+](C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359845449 428044569 /nfs/dbraw/zinc/04/45/69/428044569.db2.gz UFFPPEKAYGUFEM-UHFFFAOYSA-N 1 1 303.284 2.674 20 5 DFBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)c1cccc(F)c1[N+](=O)[O-] ZINC000369550094 427997570 /nfs/dbraw/zinc/99/75/70/427997570.db2.gz KICZPAMHLMJCSB-NSHDSACASA-N 1 1 304.325 2.629 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000359778519 428015602 /nfs/dbraw/zinc/01/56/02/428015602.db2.gz OWSUCBDXIXYYBX-SNVBAGLBSA-N 1 1 313.423 2.815 20 5 DFBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000413533311 428073596 /nfs/dbraw/zinc/07/35/96/428073596.db2.gz PMIDKNLRLAYBEH-AWEZNQCLSA-N 1 1 312.373 2.701 20 5 DFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCc2cccnc21 ZINC000377257053 428092669 /nfs/dbraw/zinc/09/26/69/428092669.db2.gz NJQFVYZMKQMDQR-AWEZNQCLSA-N 1 1 315.377 2.586 20 5 DFBDMO Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000377360593 428112832 /nfs/dbraw/zinc/11/28/32/428112832.db2.gz SDWICICQANSFJG-GJZGRUSLSA-N 1 1 317.389 2.602 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000370049964 428120967 /nfs/dbraw/zinc/12/09/67/428120967.db2.gz MAFREXZLHCKZNH-XHDPSFHLSA-N 1 1 309.797 2.774 20 5 DFBDMO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000360029003 428124950 /nfs/dbraw/zinc/12/49/50/428124950.db2.gz ZAFSMKIIFYNEOC-CQSZACIVSA-N 1 1 309.797 2.917 20 5 DFBDMO CC(C)CCNC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545006 428144378 /nfs/dbraw/zinc/14/43/78/428144378.db2.gz UOAPEQZHTWHOFH-CQSZACIVSA-N 1 1 321.421 2.620 20 5 DFBDMO CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545006 428144383 /nfs/dbraw/zinc/14/43/83/428144383.db2.gz UOAPEQZHTWHOFH-CQSZACIVSA-N 1 1 321.421 2.620 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000352545795 428144505 /nfs/dbraw/zinc/14/45/05/428144505.db2.gz LVUNRHKZIZCYEN-AWEZNQCLSA-N 1 1 308.378 2.850 20 5 DFBDMO CC(C)[C@]1(CO)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000377730040 428211110 /nfs/dbraw/zinc/21/11/10/428211110.db2.gz ZVRFUWDQLPFYIJ-QGZVFWFLSA-N 1 1 322.405 2.704 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000377668294 428187925 /nfs/dbraw/zinc/18/79/25/428187925.db2.gz FOOHBVGIIDJHPV-GOEBONIOSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000377668294 428187926 /nfs/dbraw/zinc/18/79/26/428187926.db2.gz FOOHBVGIIDJHPV-GOEBONIOSA-N 1 1 320.389 2.993 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000370402460 428201559 /nfs/dbraw/zinc/20/15/59/428201559.db2.gz AOHCQCVXVNJHQU-GUYCJALGSA-N 1 1 317.389 2.600 20 5 DFBDMO Cc1cccc(N2CCC[N@H+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000370412348 428204329 /nfs/dbraw/zinc/20/43/29/428204329.db2.gz JBXAPBTVYHFOBV-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO C[C@H]1C[C@H](c2ccsc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000377954035 428269114 /nfs/dbraw/zinc/26/91/14/428269114.db2.gz MZYXAKYOKKMUCP-AAEUAGOBSA-N 1 1 306.391 2.731 20 5 DFBDMO C[C@H]1C[C@@H](c2ccsc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000377950029 428269138 /nfs/dbraw/zinc/26/91/38/428269138.db2.gz UQPKRWVOYGIJCL-WCQYABFASA-N 1 1 306.391 2.731 20 5 DFBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000377945631 428269760 /nfs/dbraw/zinc/26/97/60/428269760.db2.gz PVSKZOAPFULJRQ-RHSMWYFYSA-N 1 1 314.389 2.917 20 5 DFBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000352889395 428298710 /nfs/dbraw/zinc/29/87/10/428298710.db2.gz YLQHKXYHHFZLPP-CABCVRRESA-N 1 1 322.405 2.989 20 5 DFBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000352889397 428298763 /nfs/dbraw/zinc/29/87/63/428298763.db2.gz YLQHKXYHHFZLPP-HUUCEWRRSA-N 1 1 322.405 2.989 20 5 DFBDMO CCc1ncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000414435594 428295597 /nfs/dbraw/zinc/29/55/97/428295597.db2.gz BCWRCNXKJHRKFA-UHFFFAOYSA-N 1 1 300.362 2.622 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352776001 428243690 /nfs/dbraw/zinc/24/36/90/428243690.db2.gz AMHSRLXSPVWCRR-LSDHHAIUSA-N 1 1 319.405 2.662 20 5 DFBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000371852867 273570342 /nfs/dbraw/zinc/57/03/42/273570342.db2.gz NQINPTZHSRYJTC-LBPRGKRZSA-N 1 1 316.365 2.546 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)c2ccncc21 ZINC000370859830 428310975 /nfs/dbraw/zinc/31/09/75/428310975.db2.gz GASAXCIFIGZMFY-JTQLQIEISA-N 1 1 309.329 2.836 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)c2ccncc21 ZINC000370859830 428310981 /nfs/dbraw/zinc/31/09/81/428310981.db2.gz GASAXCIFIGZMFY-JTQLQIEISA-N 1 1 309.329 2.836 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356855035 428336889 /nfs/dbraw/zinc/33/68/89/428336889.db2.gz PSXFIKBOCQOYSK-ZIAGYGMSSA-N 1 1 319.405 2.685 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000356855035 428336896 /nfs/dbraw/zinc/33/68/96/428336896.db2.gz PSXFIKBOCQOYSK-ZIAGYGMSSA-N 1 1 319.405 2.685 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000353020047 428354537 /nfs/dbraw/zinc/35/45/37/428354537.db2.gz NSSJDPXNVAVMKS-TZMCWYRMSA-N 1 1 319.405 2.931 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353032053 428361904 /nfs/dbraw/zinc/36/19/04/428361904.db2.gz WKNBTMLPIXHORF-SECBINFHSA-N 1 1 304.268 2.795 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353032053 428361909 /nfs/dbraw/zinc/36/19/09/428361909.db2.gz WKNBTMLPIXHORF-SECBINFHSA-N 1 1 304.268 2.795 20 5 DFBDMO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000357101473 428386690 /nfs/dbraw/zinc/38/66/90/428386690.db2.gz PZTLPVCDSHRLNC-UONOGXRCSA-N 1 1 324.425 2.744 20 5 DFBDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000357101473 428386692 /nfs/dbraw/zinc/38/66/92/428386692.db2.gz PZTLPVCDSHRLNC-UONOGXRCSA-N 1 1 324.425 2.744 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342292739 428387160 /nfs/dbraw/zinc/38/71/60/428387160.db2.gz IXQIDZAATLVTRW-ZDUSSCGKSA-N 1 1 313.357 2.908 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353253742 428452277 /nfs/dbraw/zinc/45/22/77/428452277.db2.gz MJPHHHVAIIIVKO-CQSZACIVSA-N 1 1 306.366 2.591 20 5 DFBDMO CCN[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414950645 428468294 /nfs/dbraw/zinc/46/82/94/428468294.db2.gz GFHJECWGDADACB-IIAWOOMASA-N 1 1 305.422 2.894 20 5 DFBDMO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414950645 428468299 /nfs/dbraw/zinc/46/82/99/428468299.db2.gz GFHJECWGDADACB-IIAWOOMASA-N 1 1 305.422 2.894 20 5 DFBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000353331676 428489257 /nfs/dbraw/zinc/48/92/57/428489257.db2.gz NZNONLIJBSQEDO-DQOPKJQZSA-N 1 1 301.390 2.777 20 5 DFBDMO Cc1c(Cc2noc(C[N@@H+](C)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000357337653 428489434 /nfs/dbraw/zinc/48/94/34/428489434.db2.gz XGOMUQXOIMGUBH-UHFFFAOYSA-N 1 1 304.350 2.717 20 5 DFBDMO Cc1c(Cc2noc(C[N@H+](C)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000357337653 428489439 /nfs/dbraw/zinc/48/94/39/428489439.db2.gz XGOMUQXOIMGUBH-UHFFFAOYSA-N 1 1 304.350 2.717 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000360918438 428491701 /nfs/dbraw/zinc/49/17/01/428491701.db2.gz JUGPEMYVXHWTFC-CYBMUJFWSA-N 1 1 305.378 2.575 20 5 DFBDMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353341232 428492236 /nfs/dbraw/zinc/49/22/36/428492236.db2.gz BXLZWYCMMJFBSD-DYEKYZERSA-N 1 1 305.378 2.502 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000360952728 428505284 /nfs/dbraw/zinc/50/52/84/428505284.db2.gz DMJTWQSRUYAAAH-BETUJISGSA-N 1 1 323.441 2.900 20 5 DFBDMO CC(C)[N@H+]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347246852 428510372 /nfs/dbraw/zinc/51/03/72/428510372.db2.gz AFBFFZLTIQOURU-UHFFFAOYSA-N 1 1 324.356 2.682 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353296524 428472261 /nfs/dbraw/zinc/47/22/61/428472261.db2.gz CGDYOCQCBPIBAH-CQSZACIVSA-N 1 1 306.366 2.591 20 5 DFBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000372603491 428474189 /nfs/dbraw/zinc/47/41/89/428474189.db2.gz ZUZSHDAGMXHSQG-CQSZACIVSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000372616183 428477053 /nfs/dbraw/zinc/47/70/53/428477053.db2.gz CQJYEFDFMFFQKL-BLLLJJGKSA-N 1 1 319.361 2.539 20 5 DFBDMO CSC[C@H](C)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353529456 428580475 /nfs/dbraw/zinc/58/04/75/428580475.db2.gz PYFWSKLIUOQTFX-SMDDNHRTSA-N 1 1 320.418 2.759 20 5 DFBDMO CSC[C@@H](C)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353533035 428582093 /nfs/dbraw/zinc/58/20/93/428582093.db2.gz XCZKAIVLRFSAKR-RISCZKNCSA-N 1 1 320.418 2.759 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373468236 428586607 /nfs/dbraw/zinc/58/66/07/428586607.db2.gz USPRXPVWCKFPRI-WBVHZDCISA-N 1 1 320.389 2.673 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373468236 428586611 /nfs/dbraw/zinc/58/66/11/428586611.db2.gz USPRXPVWCKFPRI-WBVHZDCISA-N 1 1 320.389 2.673 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@]2(CCOC2)O1 ZINC000373477675 428587599 /nfs/dbraw/zinc/58/75/99/428587599.db2.gz ATMSDBFBENZLJM-IAGOWNOFSA-N 1 1 320.389 2.673 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353549324 428589885 /nfs/dbraw/zinc/58/98/85/428589885.db2.gz PQISDZQKKJBNKD-DOMZBBRYSA-N 1 1 319.405 2.931 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000358307528 428593319 /nfs/dbraw/zinc/59/33/19/428593319.db2.gz GJMFWTMGSHYMSN-ZDUSSCGKSA-N 1 1 320.393 2.899 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1(O)CCC1 ZINC000353480832 428557784 /nfs/dbraw/zinc/55/77/84/428557784.db2.gz JJFGXKFXMPKAHQ-UHFFFAOYSA-N 1 1 308.378 2.729 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000347375799 428567275 /nfs/dbraw/zinc/56/72/75/428567275.db2.gz SAGSPVHEJPJLMX-JEMSNHSXSA-N 1 1 317.389 2.586 20 5 DFBDMO O=C(C[N@@H+]1CCCC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000373432936 428574170 /nfs/dbraw/zinc/57/41/70/428574170.db2.gz SPRLXNFEBMYIRO-UHFFFAOYSA-N 1 1 303.362 2.799 20 5 DFBDMO O=C(C[N@H+]1CCCC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000373432936 428574172 /nfs/dbraw/zinc/57/41/72/428574172.db2.gz SPRLXNFEBMYIRO-UHFFFAOYSA-N 1 1 303.362 2.799 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CC1CC1)C1CCC1 ZINC000361571623 428579778 /nfs/dbraw/zinc/57/97/78/428579778.db2.gz NFICECGRFNALCW-OAHLLOKOSA-N 1 1 320.389 2.599 20 5 DFBDMO CSC[C@H](C)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353533037 428579894 /nfs/dbraw/zinc/57/98/94/428579894.db2.gz XCZKAIVLRFSAKR-SMDDNHRTSA-N 1 1 320.418 2.759 20 5 DFBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344030459 428612572 /nfs/dbraw/zinc/61/25/72/428612572.db2.gz BQPZXGRRXHEEAE-KGLIPLIRSA-N 1 1 322.405 2.703 20 5 DFBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000358738778 428650976 /nfs/dbraw/zinc/65/09/76/428650976.db2.gz BJXXNSNVKMGIIJ-INIZCTEOSA-N 1 1 323.356 2.635 20 5 DFBDMO C[C@@H]1CCSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194887669 274310275 /nfs/dbraw/zinc/31/02/75/274310275.db2.gz BFRFQFAJRXXFEW-SNVBAGLBSA-N 1 1 311.363 2.830 20 5 DFBDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194887669 274310277 /nfs/dbraw/zinc/31/02/77/274310277.db2.gz BFRFQFAJRXXFEW-SNVBAGLBSA-N 1 1 311.363 2.830 20 5 DFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000408067146 274339157 /nfs/dbraw/zinc/33/91/57/274339157.db2.gz IXLYIASMIBEFFR-NWDGAFQWSA-N 1 1 300.362 2.672 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)Cc1ccccc1 ZINC000353772070 428707015 /nfs/dbraw/zinc/70/70/15/428707015.db2.gz YMYKUCCJOMHRPO-MRXNPFEDSA-N 1 1 318.348 2.769 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)Cc1ccccc1 ZINC000353772070 428707022 /nfs/dbraw/zinc/70/70/22/428707022.db2.gz YMYKUCCJOMHRPO-MRXNPFEDSA-N 1 1 318.348 2.769 20 5 DFBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000374643138 428721833 /nfs/dbraw/zinc/72/18/33/428721833.db2.gz DZSRLMLPNWCMEL-LRDDRELGSA-N 1 1 322.336 2.509 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000353749739 428692398 /nfs/dbraw/zinc/69/23/98/428692398.db2.gz MEFUYUZUBQZMKY-SFHVURJKSA-N 1 1 314.385 2.939 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1F ZINC000374791442 428753333 /nfs/dbraw/zinc/75/33/33/428753333.db2.gz FQVVKQLJMBFMTI-CYBMUJFWSA-N 1 1 316.336 2.904 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1F ZINC000374791442 428753339 /nfs/dbraw/zinc/75/33/39/428753339.db2.gz FQVVKQLJMBFMTI-CYBMUJFWSA-N 1 1 316.336 2.904 20 5 DFBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000348525676 428768174 /nfs/dbraw/zinc/76/81/74/428768174.db2.gz PNEQYVGCZHLZDT-OAHLLOKOSA-N 1 1 311.341 2.641 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000348525676 428768177 /nfs/dbraw/zinc/76/81/77/428768177.db2.gz PNEQYVGCZHLZDT-OAHLLOKOSA-N 1 1 311.341 2.641 20 5 DFBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411284026 428769652 /nfs/dbraw/zinc/76/96/52/428769652.db2.gz MHNMLAYKGSLKIL-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1ccc(C(=O)N2CCC[N@H+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000363035320 428846866 /nfs/dbraw/zinc/84/68/66/428846866.db2.gz KILMJBCIWWOJRR-UHFFFAOYSA-N 1 1 319.405 2.707 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000375048407 428798829 /nfs/dbraw/zinc/79/88/29/428798829.db2.gz ICULCMNRWRVIAE-YVEFUNNKSA-N 1 1 312.373 2.673 20 5 DFBDMO COc1cc(C[NH+]2CC(C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000348707496 428818357 /nfs/dbraw/zinc/81/83/57/428818357.db2.gz JEKMNUYZSHKYIW-UHFFFAOYSA-N 1 1 306.362 2.844 20 5 DFBDMO O=C(CC[N@H+]1CC[C@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411568331 428820574 /nfs/dbraw/zinc/82/05/74/428820574.db2.gz KCOLBZLJFXIANI-IUODEOHRSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000354014839 428822673 /nfs/dbraw/zinc/82/26/73/428822673.db2.gz OIRRSCDYTARZDO-HIFRSBDPSA-N 1 1 322.405 2.703 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC12CCCCC2 ZINC000363149214 428868083 /nfs/dbraw/zinc/86/80/83/428868083.db2.gz XKCHTDMFIAKBNZ-UHFFFAOYSA-N 1 1 305.378 2.555 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000363198994 428880491 /nfs/dbraw/zinc/88/04/91/428880491.db2.gz MQPZYKMJIDQBEY-INIZCTEOSA-N 1 1 300.362 2.671 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363199742 428883315 /nfs/dbraw/zinc/88/33/15/428883315.db2.gz YNIIVCILSQFMRH-CQSZACIVSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363199742 428883318 /nfs/dbraw/zinc/88/33/18/428883318.db2.gz YNIIVCILSQFMRH-CQSZACIVSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000348948199 428883975 /nfs/dbraw/zinc/88/39/75/428883975.db2.gz LNLLYXCBGGVJIS-KRWDZBQOSA-N 1 1 320.389 2.865 20 5 DFBDMO C[C@@H]1C[C@@H](c2cccs2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000363305203 428901603 /nfs/dbraw/zinc/90/16/03/428901603.db2.gz AFOYDKPPDFHGGO-VXGBXAGGSA-N 1 1 306.391 2.731 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000363451923 428919021 /nfs/dbraw/zinc/91/90/21/428919021.db2.gz YSVPJTFDMBXDKB-CABCVRRESA-N 1 1 320.389 2.722 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@H]1C ZINC000354226170 428925841 /nfs/dbraw/zinc/92/58/41/428925841.db2.gz VCMQEDSYLOEKDB-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000354226171 428928708 /nfs/dbraw/zinc/92/87/08/428928708.db2.gz VCMQEDSYLOEKDB-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302084999 274712692 /nfs/dbraw/zinc/71/26/92/274712692.db2.gz NBZZZEUWWXQIFV-DIFFPNOSSA-N 1 1 314.389 2.838 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000349364223 428971882 /nfs/dbraw/zinc/97/18/82/428971882.db2.gz FDBLSOHOJHVGOC-LLVKDONJSA-N 1 1 319.340 2.540 20 5 DFBDMO Cc1nnc([C@@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000349364223 428971888 /nfs/dbraw/zinc/97/18/88/428971888.db2.gz FDBLSOHOJHVGOC-LLVKDONJSA-N 1 1 319.340 2.540 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412082659 428944883 /nfs/dbraw/zinc/94/48/83/428944883.db2.gz MVBZCYMKKPECDD-GXTWGEPZSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363632520 428958062 /nfs/dbraw/zinc/95/80/62/428958062.db2.gz FAAKSMIJCBRODV-DLBZAZTESA-N 1 1 317.389 2.570 20 5 DFBDMO Cc1n[nH]c([C@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000349364224 428972332 /nfs/dbraw/zinc/97/23/32/428972332.db2.gz FDBLSOHOJHVGOC-NSHDSACASA-N 1 1 319.340 2.540 20 5 DFBDMO Cc1nnc([C@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000349364224 428972339 /nfs/dbraw/zinc/97/23/39/428972339.db2.gz FDBLSOHOJHVGOC-NSHDSACASA-N 1 1 319.340 2.540 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375766392 428965559 /nfs/dbraw/zinc/96/55/59/428965559.db2.gz VHILPUFYVKTYBO-CQSZACIVSA-N 1 1 316.361 2.708 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433301076 429021552 /nfs/dbraw/zinc/02/15/52/429021552.db2.gz UZNAKCMRCIUYQD-CYBMUJFWSA-N 1 1 320.780 2.934 20 5 DFBDMO Cc1ncccc1O[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000375971566 429031359 /nfs/dbraw/zinc/03/13/59/429031359.db2.gz ALLHBVHPFQWCMM-INIZCTEOSA-N 1 1 313.357 2.952 20 5 DFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](CO)CC(C)(C)C ZINC000451795493 428977922 /nfs/dbraw/zinc/97/79/22/428977922.db2.gz ZGVIYLHTYUTONU-LBPRGKRZSA-N 1 1 320.393 2.700 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375813196 428982224 /nfs/dbraw/zinc/98/22/24/428982224.db2.gz JFYOOLMPGFUZAM-SWLSCSKDSA-N 1 1 318.377 2.685 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809716 428982726 /nfs/dbraw/zinc/98/27/26/428982726.db2.gz FJWAIUUMROLQAT-DLBZAZTESA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@H]1[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809716 428982731 /nfs/dbraw/zinc/98/27/31/428982731.db2.gz FJWAIUUMROLQAT-DLBZAZTESA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@H]1[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809716 428982739 /nfs/dbraw/zinc/98/27/39/428982739.db2.gz FJWAIUUMROLQAT-DLBZAZTESA-N 1 1 319.405 2.532 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433061246 428990437 /nfs/dbraw/zinc/99/04/37/428990437.db2.gz ONXALTISWYLRRB-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO COc1cc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451839715 428993129 /nfs/dbraw/zinc/99/31/29/428993129.db2.gz DITIERVJGIPGIG-HOTGVXAUSA-N 1 1 320.389 2.993 20 5 DFBDMO Cc1ccnc(N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000301248665 274816977 /nfs/dbraw/zinc/81/69/77/274816977.db2.gz BLSXBEUVRJVRPE-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000376021440 429043240 /nfs/dbraw/zinc/04/32/40/429043240.db2.gz MDIWUADSMVWFGV-MRXNPFEDSA-N 1 1 318.352 2.594 20 5 DFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000452100463 429057030 /nfs/dbraw/zinc/05/70/30/429057030.db2.gz IALLALIZMOFANQ-CYBMUJFWSA-N 1 1 308.378 2.852 20 5 DFBDMO CCOc1cc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000452119932 429063178 /nfs/dbraw/zinc/06/31/78/429063178.db2.gz QKEWGSTYCYZTSV-HNNXBMFYSA-N 1 1 321.421 2.908 20 5 DFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC1([NH3+])CCC1 ZINC000423323490 429066240 /nfs/dbraw/zinc/06/62/40/429066240.db2.gz JNIYBTBPMFXRLU-LBPRGKRZSA-N 1 1 309.435 2.937 20 5 DFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)CCC1 ZINC000423323490 429066245 /nfs/dbraw/zinc/06/62/45/429066245.db2.gz JNIYBTBPMFXRLU-LBPRGKRZSA-N 1 1 309.435 2.937 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000376172686 429069627 /nfs/dbraw/zinc/06/96/27/429069627.db2.gz MEHCNRAHWYBZBF-GFCCVEGCSA-N 1 1 314.345 2.729 20 5 DFBDMO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382773 429076946 /nfs/dbraw/zinc/07/69/46/429076946.db2.gz PCQJUGOTWJJBHR-RCBQFDQVSA-N 1 1 303.406 2.646 20 5 DFBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[N@@H+](C)C1CC1 ZINC000413120219 429142750 /nfs/dbraw/zinc/14/27/50/429142750.db2.gz QADDXRODFZPWNE-QMMMGPOBSA-N 1 1 318.299 2.903 20 5 DFBDMO Cc1cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000435590348 429150040 /nfs/dbraw/zinc/15/00/40/429150040.db2.gz YQLVZZDJUUVWNP-OAHLLOKOSA-N 1 1 318.421 3.507 20 5 DFBDMO CCOC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000434979298 429116287 /nfs/dbraw/zinc/11/62/87/429116287.db2.gz SDDRAWAPMFNJTJ-UHFFFAOYSA-N 1 1 320.389 2.945 20 5 DFBDMO CCOC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000434979298 429116290 /nfs/dbraw/zinc/11/62/90/429116290.db2.gz SDDRAWAPMFNJTJ-UHFFFAOYSA-N 1 1 320.389 2.945 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000434959262 429116438 /nfs/dbraw/zinc/11/64/38/429116438.db2.gz KYEJXTKNTSRPAQ-CMPLNLGQSA-N 1 1 312.801 2.952 20 5 DFBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000413077081 429132800 /nfs/dbraw/zinc/13/28/00/429132800.db2.gz RKIYRFNWXHCSDG-UHFFFAOYSA-N 1 1 304.272 2.515 20 5 DFBDMO C[C@@H]1C[N@@H+](C)C[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487154759 429137197 /nfs/dbraw/zinc/13/71/97/429137197.db2.gz HYAJRJDXPSSBAJ-NOZJJQNGSA-N 1 1 317.311 2.653 20 5 DFBDMO CN(C(=O)C[N@H+]1C[C@@H]2CCCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000363926386 429140657 /nfs/dbraw/zinc/14/06/57/429140657.db2.gz WAZQYKWJPSYIFF-XJKSGUPXSA-N 1 1 317.389 2.822 20 5 DFBDMO CC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364089028 429168613 /nfs/dbraw/zinc/16/86/13/429168613.db2.gz PAWLHIGMOQPOPW-KGLIPLIRSA-N 1 1 303.362 2.836 20 5 DFBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000368792717 275026355 /nfs/dbraw/zinc/02/63/55/275026355.db2.gz PVMKLBRDGQECFI-GOSISDBHSA-N 1 1 323.352 2.691 20 5 DFBDMO O=C1[C@@H]([N@H+]2C[C@H]3CCCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368685227 275028196 /nfs/dbraw/zinc/02/81/96/275028196.db2.gz ZLLFDVATHNVYAI-WQVCFCJDSA-N 1 1 315.373 2.575 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375044428 275039837 /nfs/dbraw/zinc/03/98/37/275039837.db2.gz XIXWRXJNFROXNL-QGZVFWFLSA-N 1 1 316.332 2.827 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000364314191 429179637 /nfs/dbraw/zinc/17/96/37/429179637.db2.gz ZHVDEEGIPSIUMS-MLGOLLRUSA-N 1 1 312.373 2.673 20 5 DFBDMO COc1cccc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488750087 429196118 /nfs/dbraw/zinc/19/61/18/429196118.db2.gz NFBIBFAVIVXROZ-GZBFAFLISA-N 1 1 319.405 2.770 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000495240625 429190529 /nfs/dbraw/zinc/19/05/29/429190529.db2.gz MTNHPQFZSPVWEV-LRDDRELGSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495258689 429191843 /nfs/dbraw/zinc/19/18/43/429191843.db2.gz DSKXHCPUNOEFPF-WMLDXEAASA-N 1 1 322.405 2.847 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC1(C)C ZINC000489453887 429243198 /nfs/dbraw/zinc/24/31/98/429243198.db2.gz YJUIYLPIXQOYET-CQSZACIVSA-N 1 1 321.377 2.662 20 5 DFBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC1(C)C ZINC000489484129 429246611 /nfs/dbraw/zinc/24/66/11/429246611.db2.gz PVEZPNYECOQEFI-GFCCVEGCSA-N 1 1 302.334 2.875 20 5 DFBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC1(C)C ZINC000489484129 429246615 /nfs/dbraw/zinc/24/66/15/429246615.db2.gz PVEZPNYECOQEFI-GFCCVEGCSA-N 1 1 302.334 2.875 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3nccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000425278758 429256034 /nfs/dbraw/zinc/25/60/34/429256034.db2.gz FHSGVYYDYYCJFU-XJKSGUPXSA-N 1 1 312.373 2.673 20 5 DFBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365024707 429273454 /nfs/dbraw/zinc/27/34/54/429273454.db2.gz DBAZZWCOVJSWNC-KBPBESRZSA-N 1 1 312.373 3.182 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425356005 429275997 /nfs/dbraw/zinc/27/59/97/429275997.db2.gz NAVLBZHKDWKHRT-WEKMIXOTSA-N 1 1 313.361 2.606 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425361405 429277997 /nfs/dbraw/zinc/27/79/97/429277997.db2.gz XWNKWRZFPUYLAR-CYBMUJFWSA-N 1 1 315.377 2.826 20 5 DFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000449077704 429325322 /nfs/dbraw/zinc/32/53/22/429325322.db2.gz SQGPRJCBRZJKSZ-KBPBESRZSA-N 1 1 303.406 2.600 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426454027 429393244 /nfs/dbraw/zinc/39/32/44/429393244.db2.gz LOKZKVTUDHWHSO-STQMWFEESA-N 1 1 303.362 2.716 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000426504817 429397956 /nfs/dbraw/zinc/39/79/56/429397956.db2.gz PUDHVVCJEPQZJH-VEMDQMBVSA-N 1 1 302.374 2.845 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426202744 429371934 /nfs/dbraw/zinc/37/19/34/429371934.db2.gz HCZQGWRRUFAXRN-HUUCEWRRSA-N 1 1 308.378 2.729 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n1 ZINC000365819393 429379194 /nfs/dbraw/zinc/37/91/94/429379194.db2.gz JNOFPTSJVYTCHG-UHFFFAOYSA-N 1 1 322.315 2.907 20 5 DFBDMO COc1cc(NCCNc2cccc(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000427404904 429448574 /nfs/dbraw/zinc/44/85/74/429448574.db2.gz CSEICMRCTJHVOA-UHFFFAOYSA-N 1 1 302.334 2.831 20 5 DFBDMO COc1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000518775762 429433672 /nfs/dbraw/zinc/43/36/72/429433672.db2.gz IBMAHECLULXOOX-UHFFFAOYSA-N 1 1 312.329 2.770 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(O)(C(F)F)CC1 ZINC000428471913 429527963 /nfs/dbraw/zinc/52/79/63/429527963.db2.gz DCEBGMGPFHLMGV-HWKANZROSA-N 1 1 312.316 2.700 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000366629665 429489668 /nfs/dbraw/zinc/48/96/68/429489668.db2.gz NLLBFAJZPSSULN-SWLSCSKDSA-N 1 1 306.362 2.604 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC2)CC1 ZINC000366685100 429494696 /nfs/dbraw/zinc/49/46/96/429494696.db2.gz PAPSDLLCONRMDH-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000366963643 429549778 /nfs/dbraw/zinc/54/97/78/429549778.db2.gz VDWIBMDAZQNKFC-OAHLLOKOSA-N 1 1 311.341 2.511 20 5 DFBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000366963643 429549780 /nfs/dbraw/zinc/54/97/80/429549780.db2.gz VDWIBMDAZQNKFC-OAHLLOKOSA-N 1 1 311.341 2.511 20 5 DFBDMO Cc1cnc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000428977818 429567262 /nfs/dbraw/zinc/56/72/62/429567262.db2.gz NOUCMFZRFIIVBH-ZDUSSCGKSA-N 1 1 300.362 2.929 20 5 DFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000521895823 429568481 /nfs/dbraw/zinc/56/84/81/429568481.db2.gz GXKFKLORDIRSIS-CQSZACIVSA-N 1 1 319.405 2.674 20 5 DFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429011940 429570733 /nfs/dbraw/zinc/57/07/33/429570733.db2.gz SYAXLUIRTSEDRY-KEYYUXOJSA-N 1 1 303.406 2.757 20 5 DFBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429030757 429574352 /nfs/dbraw/zinc/57/43/52/429574352.db2.gz SPOVLGZNLIDALD-CKEIUWERSA-N 1 1 303.406 2.757 20 5 DFBDMO Cc1ccccc1[C@@]1(F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000367105455 429578653 /nfs/dbraw/zinc/57/86/53/429578653.db2.gz FCKMARJZTAJMOP-MRXNPFEDSA-N 1 1 318.352 2.670 20 5 DFBDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000367105455 429578655 /nfs/dbraw/zinc/57/86/55/429578655.db2.gz FCKMARJZTAJMOP-MRXNPFEDSA-N 1 1 318.352 2.670 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000430214495 429663408 /nfs/dbraw/zinc/66/34/08/429663408.db2.gz ZOGFQEPDKWWYIV-HIFRSBDPSA-N 1 1 306.362 2.604 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000267279421 276073770 /nfs/dbraw/zinc/07/37/70/276073770.db2.gz UYDMYRLCJQMXNY-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354403592 276213337 /nfs/dbraw/zinc/21/33/37/276213337.db2.gz PJQMJNBQACBJBN-IUODEOHRSA-N 1 1 305.378 2.540 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173214119 276223913 /nfs/dbraw/zinc/22/39/13/276223913.db2.gz NRMBAAJCGHTNGP-HIFRSBDPSA-N 1 1 319.405 2.706 20 5 DFBDMO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000285597471 276262098 /nfs/dbraw/zinc/26/20/98/276262098.db2.gz LVKTVCJWGRPMMT-AWEZNQCLSA-N 1 1 321.377 2.695 20 5 DFBDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000285597471 276262100 /nfs/dbraw/zinc/26/21/00/276262100.db2.gz LVKTVCJWGRPMMT-AWEZNQCLSA-N 1 1 321.377 2.695 20 5 DFBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000367698726 429702910 /nfs/dbraw/zinc/70/29/10/429702910.db2.gz FQYUKFQFODAHRV-GFCCVEGCSA-N 1 1 320.780 2.971 20 5 DFBDMO COC(=O)[C@@H](CC(C)C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000451261491 429798964 /nfs/dbraw/zinc/79/89/64/429798964.db2.gz FSXVAWXFBPXBRU-OAHLLOKOSA-N 1 1 308.378 2.657 20 5 DFBDMO COC(=O)[C@@H](CC(C)C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000451261491 429798968 /nfs/dbraw/zinc/79/89/68/429798968.db2.gz FSXVAWXFBPXBRU-OAHLLOKOSA-N 1 1 308.378 2.657 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493677436 429807765 /nfs/dbraw/zinc/80/77/65/429807765.db2.gz UQTQDZDQKGSHNK-WAVCKPEOSA-N 1 1 317.389 2.549 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000368282555 429824372 /nfs/dbraw/zinc/82/43/72/429824372.db2.gz UFZFLXYIYWTGQP-CYBMUJFWSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000368282555 429824375 /nfs/dbraw/zinc/82/43/75/429824375.db2.gz UFZFLXYIYWTGQP-CYBMUJFWSA-N 1 1 306.753 2.892 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451413658 429825161 /nfs/dbraw/zinc/82/51/61/429825161.db2.gz CGPJJJMJPLIWDQ-BZUAXINKSA-N 1 1 320.389 2.729 20 5 DFBDMO CCOC(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544415 429849143 /nfs/dbraw/zinc/84/91/43/429849143.db2.gz FJSLBDSLTZIDEG-CQSZACIVSA-N 1 1 306.362 2.727 20 5 DFBDMO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547643 429850720 /nfs/dbraw/zinc/85/07/20/429850720.db2.gz LHORIPSNIGVEBJ-HIFRSBDPSA-N 1 1 319.405 2.689 20 5 DFBDMO CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548821 429851159 /nfs/dbraw/zinc/85/11/59/429851159.db2.gz ONILWLAERARHPV-UKRRQHHQSA-N 1 1 306.362 2.726 20 5 DFBDMO CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548821 429851163 /nfs/dbraw/zinc/85/11/63/429851163.db2.gz ONILWLAERARHPV-UKRRQHHQSA-N 1 1 306.362 2.726 20 5 DFBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)c1ncc([N+](=O)[O-])cc1Cl ZINC000369255303 429921474 /nfs/dbraw/zinc/92/14/74/429921474.db2.gz WBCDRUULUNOKSU-JTQLQIEISA-N 1 1 321.768 2.539 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2Cn2cncn2)c1 ZINC000369268887 429921906 /nfs/dbraw/zinc/92/19/06/429921906.db2.gz HWNYRDCAQHSOIY-CYBMUJFWSA-N 1 1 321.768 2.504 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2Cn2cncn2)c1 ZINC000369268887 429921907 /nfs/dbraw/zinc/92/19/07/429921907.db2.gz HWNYRDCAQHSOIY-CYBMUJFWSA-N 1 1 321.768 2.504 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000368590770 429872995 /nfs/dbraw/zinc/87/29/95/429872995.db2.gz DXSQCOJOYBSVDA-CQSZACIVSA-N 1 1 300.362 2.626 20 5 DFBDMO Cc1ccc([C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c(C)c1 ZINC000369389780 429937242 /nfs/dbraw/zinc/93/72/42/429937242.db2.gz SKHGDZACRWVUIQ-AWEZNQCLSA-N 1 1 314.389 2.935 20 5 DFBDMO Cc1ccccc1C[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000562585574 430150287 /nfs/dbraw/zinc/15/02/87/430150287.db2.gz WMBKJPCHBILEGC-AWEZNQCLSA-N 1 1 302.378 2.663 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000535720909 430167693 /nfs/dbraw/zinc/16/76/93/430167693.db2.gz FCPQGZCLOBOPKS-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO CN1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000375852288 277171320 /nfs/dbraw/zinc/17/13/20/277171320.db2.gz NKAKOLDVMUNWQT-IXDOHACOSA-N 1 1 303.406 2.600 20 5 DFBDMO CC(C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355555842 277380904 /nfs/dbraw/zinc/38/09/04/277380904.db2.gz PPIAUQZNAZKXJD-UHFFFAOYSA-N 1 1 302.378 2.987 20 5 DFBDMO CC(C)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355555842 277380907 /nfs/dbraw/zinc/38/09/07/277380907.db2.gz PPIAUQZNAZKXJD-UHFFFAOYSA-N 1 1 302.378 2.987 20 5 DFBDMO COc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000277026777 277381629 /nfs/dbraw/zinc/38/16/29/277381629.db2.gz NPQKEBCTDMMPDE-TZMCWYRMSA-N 1 1 305.378 2.524 20 5 DFBDMO COc1cccc(N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000373060030 277455768 /nfs/dbraw/zinc/45/57/68/277455768.db2.gz RVZLNHGUMVGVIR-LBPRGKRZSA-N 1 1 316.361 2.721 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCc2ccccc2C1(C)C ZINC000581683372 430231718 /nfs/dbraw/zinc/23/17/18/430231718.db2.gz PEQLOSKAJLKMBN-UHFFFAOYSA-N 1 1 300.362 2.622 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCc2ccccc2C1(C)C ZINC000581683372 430231724 /nfs/dbraw/zinc/23/17/24/430231724.db2.gz PEQLOSKAJLKMBN-UHFFFAOYSA-N 1 1 300.362 2.622 20 5 DFBDMO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568342791 430347840 /nfs/dbraw/zinc/34/78/40/430347840.db2.gz FLAPYKDHOTYDPT-KCQAQPDRSA-N 1 1 319.405 2.639 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(CCOCC2)CC1 ZINC000546690213 430364661 /nfs/dbraw/zinc/36/46/61/430364661.db2.gz FKXGARUNLQALIH-CQSZACIVSA-N 1 1 320.389 2.927 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000569320209 430442142 /nfs/dbraw/zinc/44/21/42/430442142.db2.gz ZORXLRIYBZQCJK-CYBMUJFWSA-N 1 1 320.393 2.715 20 5 DFBDMO C[N@@H+]1CCC[C@H]1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000569347313 430446581 /nfs/dbraw/zinc/44/65/81/430446581.db2.gz WFGIPYYUJREHEG-STQMWFEESA-N 1 1 317.311 2.882 20 5 DFBDMO C[N@H+]1CCC[C@H]1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000569347313 430446584 /nfs/dbraw/zinc/44/65/84/430446584.db2.gz WFGIPYYUJREHEG-STQMWFEESA-N 1 1 317.311 2.882 20 5 DFBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000548453553 430477961 /nfs/dbraw/zinc/47/79/61/430477961.db2.gz RJBNXAJAOZWUKR-OAHLLOKOSA-N 1 1 319.405 2.850 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000549581156 430529286 /nfs/dbraw/zinc/52/92/86/430529286.db2.gz MTQVUVLRIJMATQ-XJKCOSOUSA-N 1 1 319.405 2.770 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000549581153 430529392 /nfs/dbraw/zinc/52/93/92/430529392.db2.gz MTQVUVLRIJMATQ-DVOMOZLQSA-N 1 1 319.405 2.770 20 5 DFBDMO COC(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000551517640 430557241 /nfs/dbraw/zinc/55/72/41/430557241.db2.gz MKONWBCFCZIXQM-UHFFFAOYSA-N 1 1 306.343 2.733 20 5 DFBDMO CC(C)(NC(=O)C[N@H+]1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000571344552 430622044 /nfs/dbraw/zinc/62/20/44/430622044.db2.gz KMAFVORPQXPLAO-UHFFFAOYSA-N 1 1 319.405 2.678 20 5 DFBDMO COc1cccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000364283025 278017195 /nfs/dbraw/zinc/01/71/95/278017195.db2.gz QSLTXWONFMGAQW-MJBXVCDLSA-N 1 1 317.389 2.524 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353549329 278032666 /nfs/dbraw/zinc/03/26/66/278032666.db2.gz PQISDZQKKJBNKD-WFASDCNBSA-N 1 1 319.405 2.931 20 5 DFBDMO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1C ZINC000572491328 430689316 /nfs/dbraw/zinc/68/93/16/430689316.db2.gz QHSSGDPEQPXUJG-TXEJJXNPSA-N 1 1 300.362 2.672 20 5 DFBDMO C[C@H](C[NH+]1CCCCC1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293710576 278187126 /nfs/dbraw/zinc/18/71/26/278187126.db2.gz LYHHSJZOMMDYSZ-OLZOCXBDSA-N 1 1 306.410 2.702 20 5 DFBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000291352874 279234286 /nfs/dbraw/zinc/23/42/86/279234286.db2.gz YASRLRJSPRCEMX-JTQLQIEISA-N 1 1 300.330 2.599 20 5 DFBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000291352874 279234287 /nfs/dbraw/zinc/23/42/87/279234287.db2.gz YASRLRJSPRCEMX-JTQLQIEISA-N 1 1 300.330 2.599 20 5 DFBDMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000270279565 279837299 /nfs/dbraw/zinc/83/72/99/279837299.db2.gz VDUFXMGBTSGBQQ-QWRGUYRKSA-N 1 1 317.345 2.506 20 5 DFBDMO Cc1c(C(=O)N2CCC[N@H+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000372398890 280205104 /nfs/dbraw/zinc/20/51/04/280205104.db2.gz XGJZLNPTTCCBMG-UHFFFAOYSA-N 1 1 319.405 2.707 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCN2 ZINC000278163154 280370775 /nfs/dbraw/zinc/37/07/75/280370775.db2.gz CFPVCDULDQLVMU-LLVKDONJSA-N 1 1 313.361 2.670 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)n1 ZINC000359096588 280399815 /nfs/dbraw/zinc/39/98/15/280399815.db2.gz PJUBLJAVSNEXAG-ZIAGYGMSSA-N 1 1 304.394 2.670 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292064141 281020264 /nfs/dbraw/zinc/02/02/64/281020264.db2.gz CXUIZOFSPAASLK-PBHICJAKSA-N 1 1 303.406 2.992 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000272502267 281020719 /nfs/dbraw/zinc/02/07/19/281020719.db2.gz NYTNJVIAGGWGNW-UKRRQHHQSA-N 1 1 317.389 2.661 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364884800 281260402 /nfs/dbraw/zinc/26/04/02/281260402.db2.gz GXVBLXLLHOUBOQ-ZNMIVQPWSA-N 1 1 301.390 2.824 20 5 DFBDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174869466 281375835 /nfs/dbraw/zinc/37/58/35/281375835.db2.gz ZDWIZWSXWUVSOS-LSDHHAIUSA-N 1 1 314.389 2.978 20 5 DFBDMO CC1=C(C)C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361624314 289071164 /nfs/dbraw/zinc/07/11/64/289071164.db2.gz QEEVMHUKKGFFDT-CYBMUJFWSA-N 1 1 303.362 2.964 20 5 DFBDMO CC1=C(C)C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361624314 289071168 /nfs/dbraw/zinc/07/11/68/289071168.db2.gz QEEVMHUKKGFFDT-CYBMUJFWSA-N 1 1 303.362 2.964 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000363355427 289082227 /nfs/dbraw/zinc/08/22/27/289082227.db2.gz JQQLSONVPJYEFU-CQSZACIVSA-N 1 1 318.352 2.675 20 5 DFBDMO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000363414795 289092329 /nfs/dbraw/zinc/09/23/29/289092329.db2.gz RPEPYALUFCZZRG-DJIMGWMZSA-N 1 1 301.390 2.511 20 5 DFBDMO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000412877184 289109544 /nfs/dbraw/zinc/10/95/44/289109544.db2.gz LTEROSRRNGCXEF-CYBMUJFWSA-N 1 1 305.378 2.542 20 5 DFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269353913 290182144 /nfs/dbraw/zinc/18/21/44/290182144.db2.gz GVQMCCFFIILNGM-ZYHUDNBSSA-N 1 1 310.785 2.564 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c(F)c1 ZINC000437973227 297075794 /nfs/dbraw/zinc/07/57/94/297075794.db2.gz GCHPSYZLUMODGS-CQSZACIVSA-N 1 1 304.325 2.595 20 5 DFBDMO COc1cccc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292290695 295305619 /nfs/dbraw/zinc/30/56/19/295305619.db2.gz MYWSZKJZOYWYEA-CYBMUJFWSA-N 1 1 319.405 2.914 20 5 DFBDMO Nc1c(F)c(NCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000442620282 297197851 /nfs/dbraw/zinc/19/78/51/297197851.db2.gz IPAKLTZWNQIVOG-UHFFFAOYSA-N 1 1 319.340 2.504 20 5 DFBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000444750086 297248676 /nfs/dbraw/zinc/24/86/76/297248676.db2.gz XOSUIXKULAOQDC-CABCVRRESA-N 1 1 322.405 2.703 20 5 DFBDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000444750087 297248732 /nfs/dbraw/zinc/24/87/32/297248732.db2.gz XOSUIXKULAOQDC-GJZGRUSLSA-N 1 1 322.405 2.703 20 5 DFBDMO CC(C)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444752054 297249185 /nfs/dbraw/zinc/24/91/85/297249185.db2.gz GYEWTMDWELRVNO-ZDUSSCGKSA-N 1 1 305.378 2.901 20 5 DFBDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444752054 297249186 /nfs/dbraw/zinc/24/91/86/297249186.db2.gz GYEWTMDWELRVNO-ZDUSSCGKSA-N 1 1 305.378 2.901 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC12CCC2 ZINC000444792604 297251835 /nfs/dbraw/zinc/25/18/35/297251835.db2.gz PYAIKOXPZFNQRP-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CNc1[nH]c2ccccc2[nH+]1 ZINC000446968010 297291686 /nfs/dbraw/zinc/29/16/86/297291686.db2.gz VNNUJIASLMRMMB-UHFFFAOYSA-N 1 1 312.329 2.904 20 5 DFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000447834006 297319469 /nfs/dbraw/zinc/31/94/69/297319469.db2.gz VLNZJVGFWKYOAO-GOEBONIOSA-N 1 1 322.405 2.989 20 5 DFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000447834010 297319570 /nfs/dbraw/zinc/31/95/70/297319570.db2.gz VLNZJVGFWKYOAO-ZBFHGGJFSA-N 1 1 322.405 2.989 20 5 DFBDMO C[C@H](NC(=O)[C@H]1CCCc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000452185620 297942715 /nfs/dbraw/zinc/94/27/15/297942715.db2.gz QBWHBSRJQUEQES-SMDDNHRTSA-N 1 1 314.345 2.546 20 5 DFBDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC000453613883 298105379 /nfs/dbraw/zinc/10/53/79/298105379.db2.gz CFDGZNYMPHGXHE-UHFFFAOYSA-N 1 1 302.378 2.987 20 5 DFBDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC000453613883 298105380 /nfs/dbraw/zinc/10/53/80/298105380.db2.gz CFDGZNYMPHGXHE-UHFFFAOYSA-N 1 1 302.378 2.987 20 5 DFBDMO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000496539873 300077104 /nfs/dbraw/zinc/07/71/04/300077104.db2.gz NGTHQXDKKWZQJC-OAHLLOKOSA-N 1 1 321.377 2.695 20 5 DFBDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000496539873 300077106 /nfs/dbraw/zinc/07/71/06/300077106.db2.gz NGTHQXDKKWZQJC-OAHLLOKOSA-N 1 1 321.377 2.695 20 5 DFBDMO C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000516679272 300355225 /nfs/dbraw/zinc/35/52/25/300355225.db2.gz MMWIFGTVEVCRDS-JSGCOSHPSA-N 1 1 316.405 2.691 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)CC1CCCC1)C2 ZINC000530494833 301051415 /nfs/dbraw/zinc/05/14/15/301051415.db2.gz NKVVOVZPDRYDBL-OAHLLOKOSA-N 1 1 304.390 2.894 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000532585014 301161230 /nfs/dbraw/zinc/16/12/30/301161230.db2.gz RIVWMNHVUPILAL-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533290760 301194319 /nfs/dbraw/zinc/19/43/19/301194319.db2.gz JCDRPAXJJLJLTP-TUAOUCFPSA-N 1 1 323.418 2.748 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533290760 301194321 /nfs/dbraw/zinc/19/43/21/301194321.db2.gz JCDRPAXJJLJLTP-TUAOUCFPSA-N 1 1 323.418 2.748 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000359096584 301205920 /nfs/dbraw/zinc/20/59/20/301205920.db2.gz PJUBLJAVSNEXAG-UONOGXRCSA-N 1 1 304.394 2.670 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000535316063 301252986 /nfs/dbraw/zinc/25/29/86/301252986.db2.gz SXLJJZRLJNCXLN-OCCSQVGLSA-N 1 1 300.362 2.879 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(CO)o2)C2CC2)cc1 ZINC000535785339 301261399 /nfs/dbraw/zinc/26/13/99/301261399.db2.gz JHKCYMGLVSYSCQ-UHFFFAOYSA-N 1 1 302.330 2.845 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(CO)o2)C2CC2)cc1 ZINC000535785339 301261403 /nfs/dbraw/zinc/26/14/03/301261403.db2.gz JHKCYMGLVSYSCQ-UHFFFAOYSA-N 1 1 302.330 2.845 20 5 DFBDMO CCOc1cc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000540036267 301356573 /nfs/dbraw/zinc/35/65/73/301356573.db2.gz MXVRJSMRHDZSCF-RISCZKNCSA-N 1 1 305.378 2.888 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)nc1 ZINC000548005828 301558310 /nfs/dbraw/zinc/55/83/10/301558310.db2.gz ASNYKMIEWCMWQE-ZDUSSCGKSA-N 1 1 313.361 2.517 20 5 DFBDMO COc1cc(NCc2c[nH+]c3n2CCCC3)c(F)cc1[N+](=O)[O-] ZINC000553592616 301716452 /nfs/dbraw/zinc/71/64/52/301716452.db2.gz UAANWKQRUVRQBA-UHFFFAOYSA-N 1 1 320.324 2.887 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423669 302070988 /nfs/dbraw/zinc/07/09/88/302070988.db2.gz OGPHRKAZUYWFOE-BBRMVZONSA-N 1 1 303.406 2.902 20 5 DFBDMO CO[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000179184414 316002229 /nfs/dbraw/zinc/00/22/29/316002229.db2.gz YEJAZQWVCNPTNB-HNNXBMFYSA-N 1 1 317.345 2.861 20 5 DFBDMO CO[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000179184414 316002232 /nfs/dbraw/zinc/00/22/32/316002232.db2.gz YEJAZQWVCNPTNB-HNNXBMFYSA-N 1 1 317.345 2.861 20 5 DFBDMO CCC[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181997744 316081759 /nfs/dbraw/zinc/08/17/59/316081759.db2.gz VLCZNOZUGQMQKI-CABCVRRESA-N 1 1 322.405 2.847 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000314887934 316240699 /nfs/dbraw/zinc/24/06/99/316240699.db2.gz FTIMAMQLBNYEIK-LBPRGKRZSA-N 1 1 300.362 2.897 20 5 DFBDMO CC1(C)CCCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446068487 317001778 /nfs/dbraw/zinc/00/17/78/317001778.db2.gz DBSYHQPFCSTDBE-HNNXBMFYSA-N 1 1 322.405 2.847 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574614860 318027904 /nfs/dbraw/zinc/02/79/04/318027904.db2.gz UBXKAMSVFGVPEQ-UONOGXRCSA-N 1 1 321.421 2.935 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000575764703 318082536 /nfs/dbraw/zinc/08/25/36/318082536.db2.gz ORFRFGGTSVXUSU-CZUORRHYSA-N 1 1 319.405 2.639 20 5 DFBDMO C[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000576358478 318121155 /nfs/dbraw/zinc/12/11/55/318121155.db2.gz MNWMXELYZQMOQF-CYBMUJFWSA-N 1 1 319.405 2.689 20 5 DFBDMO Cn1ncc2ccc(C[NH2+]Cc3csc([N+](=O)[O-])c3)cc21 ZINC000577118669 318172398 /nfs/dbraw/zinc/17/23/98/318172398.db2.gz LMKKFRLCSDVXPO-UHFFFAOYSA-N 1 1 302.359 2.833 20 5 DFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1F ZINC000577362009 318187671 /nfs/dbraw/zinc/18/76/71/318187671.db2.gz KIQGGCMGSPAYMM-GRYCIOLGSA-N 1 1 310.373 2.907 20 5 DFBDMO CN1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192847401 323248270 /nfs/dbraw/zinc/24/82/70/323248270.db2.gz HSZVDQWIEHCDKT-CXAGYDPISA-N 1 1 303.406 2.904 20 5 DFBDMO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192847401 323248275 /nfs/dbraw/zinc/24/82/75/323248275.db2.gz HSZVDQWIEHCDKT-CXAGYDPISA-N 1 1 303.406 2.904 20 5 DFBDMO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192847401 323248279 /nfs/dbraw/zinc/24/82/79/323248279.db2.gz HSZVDQWIEHCDKT-CXAGYDPISA-N 1 1 303.406 2.904 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000584467359 337347329 /nfs/dbraw/zinc/34/73/29/337347329.db2.gz IVNDKAWHUREIQO-HOCLYGCPSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000332523770 534317026 /nfs/dbraw/zinc/31/70/26/534317026.db2.gz QVXYKOJLJCJTGH-KGLIPLIRSA-N 1 1 317.389 2.602 20 5 DFBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000364828400 519880210 /nfs/dbraw/zinc/88/02/10/519880210.db2.gz BUBWGKCXSHDOQD-CYBMUJFWSA-N 1 1 315.377 2.979 20 5 DFBDMO CCOc1cccc(N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000364913974 521384658 /nfs/dbraw/zinc/38/46/58/521384658.db2.gz FFCARJMXFQRCIM-OCCSQVGLSA-N 1 1 305.378 2.524 20 5 DFBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC000315894868 534659414 /nfs/dbraw/zinc/65/94/14/534659414.db2.gz ADIHNELXLJTESD-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO C[C@H]1[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000368831669 525003565 /nfs/dbraw/zinc/00/35/65/525003565.db2.gz BCIQFAKGCKNQKG-CQSZACIVSA-N 1 1 320.389 2.865 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000365116196 525457078 /nfs/dbraw/zinc/45/70/78/525457078.db2.gz YCUUZHOKOGJAMX-HNNXBMFYSA-N 1 1 316.361 2.637 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000365116196 525457088 /nfs/dbraw/zinc/45/70/88/525457088.db2.gz YCUUZHOKOGJAMX-HNNXBMFYSA-N 1 1 316.361 2.637 20 5 DFBDMO COc1cccc(NC[C@@H]2CCCn3cc[nH+]c32)c1[N+](=O)[O-] ZINC000364904395 526207288 /nfs/dbraw/zinc/20/72/88/526207288.db2.gz HICPWEHXXYTPMH-NSHDSACASA-N 1 1 302.334 2.789 20 5 DFBDMO O=C(CC[N@H+]1C[C@H]2CC[C@@H]1C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000128344143 526495851 /nfs/dbraw/zinc/49/58/51/526495851.db2.gz MWWSEGZZHDVSNR-WDEREUQCSA-N 1 1 307.325 2.547 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330700182 526671318 /nfs/dbraw/zinc/67/13/18/526671318.db2.gz GQKRDNLVDMNLCS-HZPDHXFCSA-N 1 1 306.406 2.866 20 5 DFBDMO CC(=O)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000295902717 527216221 /nfs/dbraw/zinc/21/62/21/527216221.db2.gz FFJFRYCMNSOXNZ-AGUYFDCRSA-N 1 1 303.362 2.835 20 5 DFBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000365090910 527460834 /nfs/dbraw/zinc/46/08/34/527460834.db2.gz TVNYBGKESNEXAH-GFCCVEGCSA-N 1 1 320.780 2.971 20 5 DFBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000365090913 527471560 /nfs/dbraw/zinc/47/15/60/527471560.db2.gz TVNYBGKESNEXAH-LBPRGKRZSA-N 1 1 320.780 2.971 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330938387 527749078 /nfs/dbraw/zinc/74/90/78/527749078.db2.gz BRDWTOXQMAUUBZ-IUODEOHRSA-N 1 1 320.393 2.931 20 5 DFBDMO CCOc1cc(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301966469 528307864 /nfs/dbraw/zinc/30/78/64/528307864.db2.gz VOXZKARNAXCJMR-JSGCOSHPSA-N 1 1 307.394 2.912 20 5 DFBDMO CC(C)[N@H+](C)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000324358841 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Cc1cc(N(C)C[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])s1 ZINC000596209702 398357641 /nfs/dbraw/zinc/35/76/41/398357641.db2.gz BXGZTPIKVBHQJR-LLVKDONJSA-N 1 1 306.391 2.860 20 5 DFBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596187295 398351592 /nfs/dbraw/zinc/35/15/92/398351592.db2.gz YZWWGOGVKSOFTD-GFCCVEGCSA-N 1 1 316.361 2.628 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CC(C)C ZINC000065962719 398353095 /nfs/dbraw/zinc/35/30/95/398353095.db2.gz BYMJFPIVPJLCCM-LLVKDONJSA-N 1 1 309.366 2.518 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000065962050 398353294 /nfs/dbraw/zinc/35/32/94/398353294.db2.gz WDSFDQZEGYCTIU-NSHDSACASA-N 1 1 309.366 2.518 20 5 DFBDMO COc1cc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596237729 398364816 /nfs/dbraw/zinc/36/48/16/398364816.db2.gz IESNSLRVEBEQCF-MRVPVSSYSA-N 1 1 322.752 2.949 20 5 DFBDMO COc1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596237729 398364817 /nfs/dbraw/zinc/36/48/17/398364817.db2.gz IESNSLRVEBEQCF-MRVPVSSYSA-N 1 1 322.752 2.949 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000066203126 398362845 /nfs/dbraw/zinc/36/28/45/398362845.db2.gz MYVOYRNMFQKFLO-NSHDSACASA-N 1 1 308.382 2.755 20 5 DFBDMO C[N@H+]1C[C@@H](CNc2ncccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000591985089 398367720 /nfs/dbraw/zinc/36/77/20/398367720.db2.gz CUDGBXUPLYQGEL-CABCVRRESA-N 1 1 312.373 2.747 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007811857 398366019 /nfs/dbraw/zinc/36/60/19/398366019.db2.gz DZUWETDEGPABMH-RYUDHWBXSA-N 1 1 305.378 2.820 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000008142588 398370738 /nfs/dbraw/zinc/37/07/38/398370738.db2.gz BWUJURGYXLBGLJ-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000008142588 398370743 /nfs/dbraw/zinc/37/07/43/398370743.db2.gz BWUJURGYXLBGLJ-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cccc(N2CCC([N@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596267872 398372031 /nfs/dbraw/zinc/37/20/31/398372031.db2.gz AQOPWVKTALFXLJ-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO CCOc1cc(N2CCC[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596268887 398373043 /nfs/dbraw/zinc/37/30/43/398373043.db2.gz MXWIYPIDAWCOEQ-CYBMUJFWSA-N 1 1 307.394 2.914 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOCC1CC1 ZINC000088600475 185259592 /nfs/dbraw/zinc/25/95/92/185259592.db2.gz NMKBOUWQPUEVSF-UHFFFAOYSA-N 1 1 308.378 2.852 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOCC1CC1 ZINC000088600475 185259593 /nfs/dbraw/zinc/25/95/93/185259593.db2.gz NMKBOUWQPUEVSF-UHFFFAOYSA-N 1 1 308.378 2.852 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000596307784 398381962 /nfs/dbraw/zinc/38/19/62/398381962.db2.gz OYZJHVJRYLHGNR-SNVBAGLBSA-N 1 1 323.422 2.836 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245400305 398383943 /nfs/dbraw/zinc/38/39/43/398383943.db2.gz XWAVLQMULFMHIA-STQMWFEESA-N 1 1 305.378 2.633 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000596335733 398389351 /nfs/dbraw/zinc/38/93/51/398389351.db2.gz HRTMLMHSGGIHIK-LLVKDONJSA-N 1 1 315.377 2.823 20 5 DFBDMO CCOCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131017 398389639 /nfs/dbraw/zinc/38/96/39/398389639.db2.gz PSNXZRQDGYVCIL-WKILWMFISA-N 1 1 322.405 2.737 20 5 DFBDMO CC[N@H+](CCSC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000592202385 398400685 /nfs/dbraw/zinc/40/06/85/398400685.db2.gz YVYXQXHLSRRSNE-UHFFFAOYSA-N 1 1 311.407 2.527 20 5 DFBDMO CC[N@@H+](CCSC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000592202385 398400687 /nfs/dbraw/zinc/40/06/87/398400687.db2.gz YVYXQXHLSRRSNE-UHFFFAOYSA-N 1 1 311.407 2.527 20 5 DFBDMO CCc1nn(C)c(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301988607 529767693 /nfs/dbraw/zinc/76/76/93/529767693.db2.gz NTHQDWAPWNOBRT-XQQFMLRXSA-N 1 1 323.441 2.669 20 5 DFBDMO CC[C@H]([NH2+]Cc1cn2cccnc2n1)c1cccc([N+](=O)[O-])c1 ZINC000181550756 199315656 /nfs/dbraw/zinc/31/56/56/199315656.db2.gz BMHUPXOJLZSWCV-HNNXBMFYSA-N 1 1 311.345 2.878 20 5 DFBDMO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248759945 398408715 /nfs/dbraw/zinc/40/87/15/398408715.db2.gz DFYGCCKOQNNPCS-GUYCJALGSA-N 1 1 303.406 2.904 20 5 DFBDMO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248759945 398408720 /nfs/dbraw/zinc/40/87/20/398408720.db2.gz DFYGCCKOQNNPCS-GUYCJALGSA-N 1 1 303.406 2.904 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000067164332 398421497 /nfs/dbraw/zinc/42/14/97/398421497.db2.gz IVYOIHJOGUOFKG-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO CC[N@@H+](CCSC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000592528683 398442736 /nfs/dbraw/zinc/44/27/36/398442736.db2.gz DAGWWBNLGKHGOA-UHFFFAOYSA-N 1 1 314.407 2.797 20 5 DFBDMO CC[N@@H+](CCSC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592528797 398443741 /nfs/dbraw/zinc/44/37/41/398443741.db2.gz HECSZCKIHAOBCD-UHFFFAOYSA-N 1 1 312.391 2.551 20 5 DFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cc(Cl)cn1 ZINC000459441275 299107803 /nfs/dbraw/zinc/10/78/03/299107803.db2.gz NNPYPDSRCARESQ-UHFFFAOYSA-N 1 1 308.769 2.619 20 5 DFBDMO C[C@@]1(CCCO)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000272012414 398449404 /nfs/dbraw/zinc/44/94/04/398449404.db2.gz KQQXLKSMXRVTPC-KRWDZBQOSA-N 1 1 322.405 2.991 20 5 DFBDMO COc1cccc(OC)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000586776483 398456958 /nfs/dbraw/zinc/45/69/58/398456958.db2.gz LPZFUXUQGOSCKS-UHFFFAOYSA-N 1 1 302.330 2.902 20 5 DFBDMO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000596597857 398457207 /nfs/dbraw/zinc/45/72/07/398457207.db2.gz ZFEMHXGXAKKNRL-UHFFFAOYSA-N 1 1 300.362 2.902 20 5 DFBDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000596597857 398457210 /nfs/dbraw/zinc/45/72/10/398457210.db2.gz ZFEMHXGXAKKNRL-UHFFFAOYSA-N 1 1 300.362 2.902 20 5 DFBDMO Cc1cc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000459473210 299115313 /nfs/dbraw/zinc/11/53/13/299115313.db2.gz BCDYVSSINGOKPK-ZDUSSCGKSA-N 1 1 320.393 2.757 20 5 DFBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1cccnc1[N+](=O)[O-] ZINC000588083386 398480857 /nfs/dbraw/zinc/48/08/57/398480857.db2.gz GCYMWCGAKBVDOP-UHFFFAOYSA-N 1 1 304.350 2.541 20 5 DFBDMO CC(C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000068127242 398481159 /nfs/dbraw/zinc/48/11/59/398481159.db2.gz OUGWQRRMHHGHLS-HNNXBMFYSA-N 1 1 311.357 2.503 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000331019594 232350073 /nfs/dbraw/zinc/35/00/73/232350073.db2.gz WSPWCWQJBVOZHH-NSHDSACASA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CCc2ccccc2)c(F)c1 ZINC000304474005 398504197 /nfs/dbraw/zinc/50/41/97/398504197.db2.gz FYKTTYSYTIAFQQ-UHFFFAOYSA-N 1 1 318.348 2.771 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000588823078 398509455 /nfs/dbraw/zinc/50/94/55/398509455.db2.gz IFUSGMUGDGXGIM-CQSZACIVSA-N 1 1 315.377 2.718 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000588823078 398509457 /nfs/dbraw/zinc/50/94/57/398509457.db2.gz IFUSGMUGDGXGIM-CQSZACIVSA-N 1 1 315.377 2.718 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000596867057 398518256 /nfs/dbraw/zinc/51/82/56/398518256.db2.gz PDWKKXXQNWSNDM-ZDUSSCGKSA-N 1 1 320.393 2.817 20 5 DFBDMO Cc1ccc([C@H](C)[NH2+]Cc2cc3n(n2)CCC3)cc1[N+](=O)[O-] ZINC000593021798 398522113 /nfs/dbraw/zinc/52/21/13/398522113.db2.gz WRAQEYOKESEATC-LBPRGKRZSA-N 1 1 300.362 2.897 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000091453603 398529651 /nfs/dbraw/zinc/52/96/51/398529651.db2.gz INTQZDUJZQMXAM-CQSZACIVSA-N 1 1 319.405 2.593 20 5 DFBDMO COc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000091479861 398532315 /nfs/dbraw/zinc/53/23/15/398532315.db2.gz BCUOPCZJQCYYQX-NSHDSACASA-N 1 1 302.334 2.711 20 5 DFBDMO Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032730336 398536357 /nfs/dbraw/zinc/53/63/57/398536357.db2.gz IZJDYDOSOCDTGC-KBPBESRZSA-N 1 1 319.405 2.896 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnn3c2CCC3)C2CC2)cc1 ZINC000596979251 398539434 /nfs/dbraw/zinc/53/94/34/398539434.db2.gz JDVIZRNGEHRMLQ-UHFFFAOYSA-N 1 1 312.373 2.902 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnn3c2CCC3)C2CC2)cc1 ZINC000596979251 398539436 /nfs/dbraw/zinc/53/94/36/398539436.db2.gz JDVIZRNGEHRMLQ-UHFFFAOYSA-N 1 1 312.373 2.902 20 5 DFBDMO CC(C)[N@@H+](C)CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000319009525 398540844 /nfs/dbraw/zinc/54/08/44/398540844.db2.gz SURYXUQKUOFLHS-UHFFFAOYSA-N 1 1 303.366 2.680 20 5 DFBDMO C[N@@H+](CCCNc1ccc(N)c([N+](=O)[O-])n1)C1CCCCC1 ZINC000320168263 398545732 /nfs/dbraw/zinc/54/57/32/398545732.db2.gz NYIRIVHCJWFJRJ-UHFFFAOYSA-N 1 1 307.398 2.639 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000589371606 398549298 /nfs/dbraw/zinc/54/92/98/398549298.db2.gz PAIQOUCKTJOGCY-XHDPSFHLSA-N 1 1 320.393 2.619 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1 ZINC000589496772 398557403 /nfs/dbraw/zinc/55/74/03/398557403.db2.gz PAIUAOHBHKLDDG-QWRGUYRKSA-N 1 1 324.402 2.707 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCS[C@@H](C)CC2)c1 ZINC000589513053 398558661 /nfs/dbraw/zinc/55/86/61/398558661.db2.gz ZXQBIDIKWDAFNA-NSHDSACASA-N 1 1 324.402 2.709 20 5 DFBDMO Cc1ccc(C(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593209500 398572091 /nfs/dbraw/zinc/57/20/91/398572091.db2.gz STRXWQNRCAXBLE-UHFFFAOYSA-N 1 1 307.394 2.611 20 5 DFBDMO C[N@@H+](CCCNC(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000069499815 398573059 /nfs/dbraw/zinc/57/30/59/398573059.db2.gz WXAGKSNUTRYPMA-UHFFFAOYSA-N 1 1 319.405 2.979 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000092634664 398589355 /nfs/dbraw/zinc/58/93/55/398589355.db2.gz WQTZNPMWYVHRHI-JTQLQIEISA-N 1 1 320.324 2.674 20 5 DFBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000150787523 186066053 /nfs/dbraw/zinc/06/60/53/186066053.db2.gz RTKXBDKFTDSKII-CYBMUJFWSA-N 1 1 315.377 2.899 20 5 DFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072698132 398630847 /nfs/dbraw/zinc/63/08/47/398630847.db2.gz OYWIBCPDLGKCGK-TZMCWYRMSA-N 1 1 317.389 2.604 20 5 DFBDMO CCOc1ccc([C@H](C)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000152557886 186085241 /nfs/dbraw/zinc/08/52/41/186085241.db2.gz BDAAPEZMKYHPCM-LBPRGKRZSA-N 1 1 309.410 2.984 20 5 DFBDMO COc1cc(NC[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])cc1C ZINC000590585020 398635527 /nfs/dbraw/zinc/63/55/27/398635527.db2.gz YLCYKZPQFOQRQG-GFCCVEGCSA-N 1 1 316.361 2.783 20 5 DFBDMO C[N@H+]1CCC[C@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593463167 398635581 /nfs/dbraw/zinc/63/55/81/398635581.db2.gz OGHYCUHUWJKYLB-GFCCVEGCSA-N 1 1 300.362 2.897 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000593472754 398640071 /nfs/dbraw/zinc/64/00/71/398640071.db2.gz JSXFLEDUIUKVBT-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C)[N@@H+]1C ZINC000593476167 398640228 /nfs/dbraw/zinc/64/02/28/398640228.db2.gz SBXCUZAJHYGYRY-TXEJJXNPSA-N 1 1 300.362 2.672 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Cl)o3)C2)nc1 ZINC000093534205 398641319 /nfs/dbraw/zinc/64/13/19/398641319.db2.gz GCQPVDOENKSLGM-SNVBAGLBSA-N 1 1 322.752 2.923 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(Cl)o3)C2)nc1 ZINC000093534205 398641325 /nfs/dbraw/zinc/64/13/25/398641325.db2.gz GCQPVDOENKSLGM-SNVBAGLBSA-N 1 1 322.752 2.923 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459733915 299175704 /nfs/dbraw/zinc/17/57/04/299175704.db2.gz VCDMSCOCXSTFAH-CABCVRRESA-N 1 1 318.373 2.604 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459733915 299175707 /nfs/dbraw/zinc/17/57/07/299175707.db2.gz VCDMSCOCXSTFAH-CABCVRRESA-N 1 1 318.373 2.604 20 5 DFBDMO COc1ccc(-c2ccc(CN[C@@H](C)CC[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414883422 295829913 /nfs/dbraw/zinc/82/99/13/295829913.db2.gz AIIDEOLRUZAEKO-NSHDSACASA-N 1 1 319.361 2.690 20 5 DFBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000172416334 198094087 /nfs/dbraw/zinc/09/40/87/198094087.db2.gz UQSOOTSRDAIIGB-UHFFFAOYSA-N 1 1 317.389 2.685 20 5 DFBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172415387 198094106 /nfs/dbraw/zinc/09/41/06/198094106.db2.gz ZJNGGIYNVODKBJ-UHFFFAOYSA-N 1 1 317.389 2.685 20 5 DFBDMO Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000172839198 198156151 /nfs/dbraw/zinc/15/61/51/198156151.db2.gz DEESFYHXQZONHK-HNNXBMFYSA-N 1 1 319.405 2.850 20 5 DFBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000593727671 398677802 /nfs/dbraw/zinc/67/78/02/398677802.db2.gz PRTZOMWHEIXTSH-KGLIPLIRSA-N 1 1 319.405 2.512 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@](C)(OC)CC2)cc1[N+](=O)[O-] ZINC000280135754 215403194 /nfs/dbraw/zinc/40/31/94/215403194.db2.gz CQYIXIHYHONRFB-MRXNPFEDSA-N 1 1 308.378 2.994 20 5 DFBDMO CC[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCCC1 ZINC000593786046 398687107 /nfs/dbraw/zinc/68/71/07/398687107.db2.gz HNBQSABRCSLQFQ-UHFFFAOYSA-N 1 1 322.409 2.697 20 5 DFBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000277134344 213317275 /nfs/dbraw/zinc/31/72/75/213317275.db2.gz PTSOWMPRXUISEK-AWEZNQCLSA-N 1 1 320.437 2.589 20 5 DFBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597854989 398705246 /nfs/dbraw/zinc/70/52/46/398705246.db2.gz OMJALLILMYOSFN-CYBMUJFWSA-N 1 1 319.405 2.753 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000597856012 398705327 /nfs/dbraw/zinc/70/53/27/398705327.db2.gz UTSCRVRCDYAFIR-JTQLQIEISA-N 1 1 311.407 2.507 20 5 DFBDMO C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597861714 398706020 /nfs/dbraw/zinc/70/60/20/398706020.db2.gz WAVBPMAXFRETMD-DOMZBBRYSA-N 1 1 319.405 2.687 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000073140875 191282631 /nfs/dbraw/zinc/28/26/31/191282631.db2.gz FQYIDPFXUFFWML-CYBMUJFWSA-N 1 1 305.378 2.822 20 5 DFBDMO CCCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046773660 398718182 /nfs/dbraw/zinc/71/81/82/398718182.db2.gz YHZAZMTWJFMMCT-OAHLLOKOSA-N 1 1 308.378 2.599 20 5 DFBDMO CN(C(=O)C[N@H+]1CC[C@H](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591061747 398720057 /nfs/dbraw/zinc/72/00/57/398720057.db2.gz GVKZHJIUZDBKMM-AWEZNQCLSA-N 1 1 317.389 2.680 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061983 398720190 /nfs/dbraw/zinc/72/01/90/398720190.db2.gz QEBONLYQAAZRQV-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594056133 398734120 /nfs/dbraw/zinc/73/41/20/398734120.db2.gz RDPLVQAXFIOTCX-GJZGRUSLSA-N 1 1 318.377 2.733 20 5 DFBDMO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CCc4c[nH+]cn4C3)c2c1 ZINC000591160413 398734258 /nfs/dbraw/zinc/73/42/58/398734258.db2.gz QAOALMXDWBCQBS-LBPRGKRZSA-N 1 1 309.329 2.766 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000332594329 235164829 /nfs/dbraw/zinc/16/48/29/235164829.db2.gz OLZUBSMWWIOMPP-ZIAGYGMSSA-N 1 1 317.389 2.520 20 5 DFBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000047264635 398742744 /nfs/dbraw/zinc/74/27/44/398742744.db2.gz LLAQKIMENBXCHV-AWEZNQCLSA-N 1 1 312.373 2.873 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594195769 398762624 /nfs/dbraw/zinc/76/26/24/398762624.db2.gz JAXQCHPSKOTRQF-GDBMZVCRSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594199372 398764421 /nfs/dbraw/zinc/76/44/21/398764421.db2.gz YDCFZSKLOCHSPQ-HOTGVXAUSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594202809 398764765 /nfs/dbraw/zinc/76/47/65/398764765.db2.gz SGBYYTXALXRXHK-GJZGRUSLSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000081052964 192221268 /nfs/dbraw/zinc/22/12/68/192221268.db2.gz YGSSQBGVVPXSLT-KGLIPLIRSA-N 1 1 318.377 2.604 20 5 DFBDMO CCOC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081519824 192279312 /nfs/dbraw/zinc/27/93/12/192279312.db2.gz XFPLKKQNMPLMFG-CYBMUJFWSA-N 1 1 308.378 2.852 20 5 DFBDMO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000594389529 398791158 /nfs/dbraw/zinc/79/11/58/398791158.db2.gz LVYJVCLLHWCAHX-UHFFFAOYSA-N 1 1 311.407 2.603 20 5 DFBDMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225901 283211583 /nfs/dbraw/zinc/21/15/83/283211583.db2.gz LLIQDCSRIWTZOW-INIZCTEOSA-N 1 1 322.405 2.593 20 5 DFBDMO CCOc1cc(CN2CC[C@@H](C[N@@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897067 213161196 /nfs/dbraw/zinc/16/11/96/213161196.db2.gz LATOYOVPJHYUSV-HNNXBMFYSA-N 1 1 321.421 2.767 20 5 DFBDMO CSCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000151148420 283276846 /nfs/dbraw/zinc/27/68/46/283276846.db2.gz RLHBUQUTDSACLV-UHFFFAOYSA-N 1 1 311.407 2.527 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000594495343 398809632 /nfs/dbraw/zinc/80/96/32/398809632.db2.gz VLMPTJPZFPITCA-IOASZLSFSA-N 1 1 301.390 2.799 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179367252 199022641 /nfs/dbraw/zinc/02/26/41/199022641.db2.gz SWFRDLAFAAUNKR-VFQAQYNWSA-N 1 1 318.373 2.693 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccn2)CC1 ZINC000075621946 398813533 /nfs/dbraw/zinc/81/35/33/398813533.db2.gz WABXQKCNHAHFDZ-AWEZNQCLSA-N 1 1 312.373 2.873 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000598466837 398817639 /nfs/dbraw/zinc/81/76/39/398817639.db2.gz XANGYJKWUGOPNS-UHFFFAOYSA-N 1 1 307.394 2.753 20 5 DFBDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075676439 398817097 /nfs/dbraw/zinc/81/70/97/398817097.db2.gz SKDYZYTXUDDVIH-UONOGXRCSA-N 1 1 319.405 2.894 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000598465579 398817209 /nfs/dbraw/zinc/81/72/09/398817209.db2.gz GHFUDCQMKKPNMT-UHFFFAOYSA-N 1 1 307.394 2.753 20 5 DFBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cscn1 ZINC000127329940 398819751 /nfs/dbraw/zinc/81/97/51/398819751.db2.gz VOQAGFSDOOQNAQ-JTQLQIEISA-N 1 1 320.374 2.558 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000051828042 398826365 /nfs/dbraw/zinc/82/63/65/398826365.db2.gz ADKJYUMAAUDIHK-UHFFFAOYSA-N 1 1 314.341 2.998 20 5 DFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000594714330 398847449 /nfs/dbraw/zinc/84/74/49/398847449.db2.gz MYGZKZXBSIGIBF-KRWDZBQOSA-N 1 1 323.437 2.506 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000052843055 398852522 /nfs/dbraw/zinc/85/25/22/398852522.db2.gz DNNBOFGPSUSEPI-ZDUSSCGKSA-N 1 1 305.378 2.589 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000052843054 398852600 /nfs/dbraw/zinc/85/26/00/398852600.db2.gz DNNBOFGPSUSEPI-CYBMUJFWSA-N 1 1 305.378 2.589 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000180588036 199180518 /nfs/dbraw/zinc/18/05/18/199180518.db2.gz CUDHEJGERBDKLG-HNNXBMFYSA-N 1 1 320.393 2.707 20 5 DFBDMO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594926848 398873080 /nfs/dbraw/zinc/87/30/80/398873080.db2.gz VZWMQCOHORSOPT-UHFFFAOYSA-N 1 1 300.362 2.886 20 5 DFBDMO CC(=O)NCc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000594949636 398879745 /nfs/dbraw/zinc/87/97/45/398879745.db2.gz FQEWVJDKMMGFPS-UHFFFAOYSA-N 1 1 319.386 2.582 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC000139592895 398884515 /nfs/dbraw/zinc/88/45/15/398884515.db2.gz BFRZTJGPIISGKQ-UHFFFAOYSA-N 1 1 312.373 2.702 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000594967582 398883343 /nfs/dbraw/zinc/88/33/43/398883343.db2.gz UBXITIDCMJIPSB-HNNXBMFYSA-N 1 1 321.421 2.956 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000594967582 398883344 /nfs/dbraw/zinc/88/33/44/398883344.db2.gz UBXITIDCMJIPSB-HNNXBMFYSA-N 1 1 321.421 2.956 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000595009042 398890838 /nfs/dbraw/zinc/89/08/38/398890838.db2.gz BCWJMCXCNOBEFW-MQIPJXDCSA-N 1 1 319.405 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000595009042 398890840 /nfs/dbraw/zinc/89/08/40/398890840.db2.gz BCWJMCXCNOBEFW-MQIPJXDCSA-N 1 1 319.405 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000595015979 398892288 /nfs/dbraw/zinc/89/22/88/398892288.db2.gz FRXKYJPOWWSUBW-QWHCGFSZSA-N 1 1 307.394 2.596 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C ZINC000595016292 398892479 /nfs/dbraw/zinc/89/24/79/398892479.db2.gz KBWAVNMPQHGQPP-NHYWBVRUSA-N 1 1 307.394 2.594 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041956 398896587 /nfs/dbraw/zinc/89/65/87/398896587.db2.gz RHYMXXRQCQVRKN-CHWSQXEVSA-N 1 1 309.410 2.984 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000470184116 299293202 /nfs/dbraw/zinc/29/32/02/299293202.db2.gz FUWPIMHYQRXKOF-GLNPCMGASA-N 1 1 317.389 2.728 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000054778205 398909195 /nfs/dbraw/zinc/90/91/95/398909195.db2.gz UVXXEAMCQPVVIA-NEPJUHHUSA-N 1 1 323.368 2.727 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599053494 398914105 /nfs/dbraw/zinc/91/41/05/398914105.db2.gz UJOMXBXPBOOBEP-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO CCC(F)(F)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599068098 398916411 /nfs/dbraw/zinc/91/64/11/398916411.db2.gz CLBIDKYKYPINAX-SNVBAGLBSA-N 1 1 315.320 2.947 20 5 DFBDMO O=[N+]([O-])c1c(N[C@H]2CCn3cc[nH+]c3C2)ccc2cnccc21 ZINC000599071131 398916419 /nfs/dbraw/zinc/91/64/19/398916419.db2.gz QUAASTKCGGMVPL-LBPRGKRZSA-N 1 1 309.329 2.766 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000188103924 200194007 /nfs/dbraw/zinc/19/40/07/200194007.db2.gz IHRWVLCUHRQCJQ-TZMCWYRMSA-N 1 1 306.362 2.534 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)C1 ZINC000599078794 398918193 /nfs/dbraw/zinc/91/81/93/398918193.db2.gz BGOXCIYHJSDTPE-KRWDZBQOSA-N 1 1 312.373 2.675 20 5 DFBDMO CC(C)[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000599078783 398918297 /nfs/dbraw/zinc/91/82/97/398918297.db2.gz KNDRYHHHPVWZAV-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595319959 398921950 /nfs/dbraw/zinc/92/19/50/398921950.db2.gz UWJXKWWTQMJDTN-DOMZBBRYSA-N 1 1 307.369 2.793 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333472 398923731 /nfs/dbraw/zinc/92/37/31/398923731.db2.gz UHVCFRWCZMTDPF-CQSZACIVSA-N 1 1 321.396 2.898 20 5 DFBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344376 398925067 /nfs/dbraw/zinc/92/50/67/398925067.db2.gz CZDQPIGFZWPWKR-OLZOCXBDSA-N 1 1 309.366 2.671 20 5 DFBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344376 398925068 /nfs/dbraw/zinc/92/50/68/398925068.db2.gz CZDQPIGFZWPWKR-OLZOCXBDSA-N 1 1 309.366 2.671 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000595346177 398925088 /nfs/dbraw/zinc/92/50/88/398925088.db2.gz GGRYXEISJXIZLZ-AWEZNQCLSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000595346177 398925089 /nfs/dbraw/zinc/92/50/89/398925089.db2.gz GGRYXEISJXIZLZ-AWEZNQCLSA-N 1 1 317.320 2.782 20 5 DFBDMO CC(=O)c1ccc(NC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599141028 398927460 /nfs/dbraw/zinc/92/74/60/398927460.db2.gz YHWIIVYSLKPXFU-ZDUSSCGKSA-N 1 1 305.378 2.941 20 5 DFBDMO CC(C)=CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595379175 398929764 /nfs/dbraw/zinc/92/97/64/398929764.db2.gz YQPZMTGJIIYSBY-UHFFFAOYSA-N 1 1 317.389 2.709 20 5 DFBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595382454 398930197 /nfs/dbraw/zinc/93/01/97/398930197.db2.gz IQCREGUASNHSKH-QWHCGFSZSA-N 1 1 311.382 2.917 20 5 DFBDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595382454 398930200 /nfs/dbraw/zinc/93/02/00/398930200.db2.gz IQCREGUASNHSKH-QWHCGFSZSA-N 1 1 311.382 2.917 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1NC[C@H]1CC[N@H+]1C1CCCC1)CCN2 ZINC000599165767 398932344 /nfs/dbraw/zinc/93/23/44/398932344.db2.gz SCFCSXJLDMIBKM-CYBMUJFWSA-N 1 1 316.405 2.992 20 5 DFBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000471809813 299307344 /nfs/dbraw/zinc/30/73/44/299307344.db2.gz JETAYWNYHOOXRS-SMDDNHRTSA-N 1 1 302.330 2.810 20 5 DFBDMO Cc1noc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000595417412 398933954 /nfs/dbraw/zinc/93/39/54/398933954.db2.gz KQWQDTLVHONMHK-ZFWWWQNUSA-N 1 1 317.345 2.759 20 5 DFBDMO CC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000078022625 398934515 /nfs/dbraw/zinc/93/45/15/398934515.db2.gz YNSUNHGJNBHQSS-MRXNPFEDSA-N 1 1 305.378 2.574 20 5 DFBDMO CC(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000078022625 398934517 /nfs/dbraw/zinc/93/45/17/398934517.db2.gz YNSUNHGJNBHQSS-MRXNPFEDSA-N 1 1 305.378 2.574 20 5 DFBDMO O=C(CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000153223419 398935463 /nfs/dbraw/zinc/93/54/63/398935463.db2.gz KURGPFOTYBRMDR-BETUJISGSA-N 1 1 303.362 2.655 20 5 DFBDMO CO[C@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000595425917 398936220 /nfs/dbraw/zinc/93/62/20/398936220.db2.gz VBFRRVFYBHRKAZ-QGZVFWFLSA-N 1 1 319.405 2.943 20 5 DFBDMO CO[C@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000595425917 398936221 /nfs/dbraw/zinc/93/62/21/398936221.db2.gz VBFRRVFYBHRKAZ-QGZVFWFLSA-N 1 1 319.405 2.943 20 5 DFBDMO CSCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281265803 216196912 /nfs/dbraw/zinc/19/69/12/216196912.db2.gz FLSAJRMVWSXCFD-NSHDSACASA-N 1 1 311.407 2.607 20 5 DFBDMO Cc1ccc(N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000078305591 398947428 /nfs/dbraw/zinc/94/74/28/398947428.db2.gz PKCDZARFZQAEMW-UHFFFAOYSA-N 1 1 313.361 2.774 20 5 DFBDMO Cc1c(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508861 398953039 /nfs/dbraw/zinc/95/30/39/398953039.db2.gz YXSZCEOZANESKC-KRWDZBQOSA-N 1 1 303.406 2.821 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000078563557 398967670 /nfs/dbraw/zinc/96/76/70/398967670.db2.gz GBMASGKPCIIJEM-LBPRGKRZSA-N 1 1 322.365 2.671 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056503233 398975165 /nfs/dbraw/zinc/97/51/65/398975165.db2.gz OBDVIDQVFOYWIP-CHWSQXEVSA-N 1 1 320.393 2.837 20 5 DFBDMO COc1ccc(OCC[N@@H+](C)CCCSC)c([N+](=O)[O-])c1 ZINC000281490478 216336420 /nfs/dbraw/zinc/33/64/20/216336420.db2.gz TUGKROPYOQCPIE-UHFFFAOYSA-N 1 1 314.407 2.667 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000600177763 398989907 /nfs/dbraw/zinc/98/99/07/398989907.db2.gz DDDZKNPFGLTPRM-AWEZNQCLSA-N 1 1 319.405 2.771 20 5 DFBDMO CCC[C@]1(COC)CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000194922700 201312478 /nfs/dbraw/zinc/31/24/78/201312478.db2.gz RSROXSKRHAAEJK-DLBZAZTESA-N 1 1 322.405 2.909 20 5 DFBDMO CC1(C)CCC(C)(C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000599537613 399006591 /nfs/dbraw/zinc/00/65/91/399006591.db2.gz GVOHYFNCQIRABG-UHFFFAOYSA-N 1 1 307.394 2.657 20 5 DFBDMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)n1 ZINC000599541277 399007382 /nfs/dbraw/zinc/00/73/82/399007382.db2.gz GOEPICFKQGLLRH-ZDUSSCGKSA-N 1 1 321.406 2.529 20 5 DFBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)n1 ZINC000599541277 399007390 /nfs/dbraw/zinc/00/73/90/399007390.db2.gz GOEPICFKQGLLRH-ZDUSSCGKSA-N 1 1 321.406 2.529 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000275495042 212371502 /nfs/dbraw/zinc/37/15/02/212371502.db2.gz BYXMKILTJTVWIR-GJZGRUSLSA-N 1 1 318.377 2.652 20 5 DFBDMO CCOc1cc(NC[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000618167990 399029096 /nfs/dbraw/zinc/02/90/96/399029096.db2.gz TXBOPIFWZWTLCD-GFCCVEGCSA-N 1 1 316.361 2.865 20 5 DFBDMO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595674570 399029453 /nfs/dbraw/zinc/02/94/53/399029453.db2.gz LNPZHPOFNQDFON-BONVTDFDSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595674570 399029456 /nfs/dbraw/zinc/02/94/56/399029456.db2.gz LNPZHPOFNQDFON-BONVTDFDSA-N 1 1 314.332 2.856 20 5 DFBDMO CCc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000600313697 399031441 /nfs/dbraw/zinc/03/14/41/399031441.db2.gz JHXVZMSWOFGVSA-ZDUSSCGKSA-N 1 1 319.405 2.619 20 5 DFBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000091986246 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DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305151364 284036938 /nfs/dbraw/zinc/03/69/38/284036938.db2.gz ADUCHSKUFVSTQD-UONOGXRCSA-N 1 1 322.405 2.975 20 5 DFBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000092253459 193180952 /nfs/dbraw/zinc/18/09/52/193180952.db2.gz TVEVAJJLSAUZAJ-PPYMECGQSA-N 1 1 303.406 2.882 20 5 DFBDMO CC(C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595850621 399112525 /nfs/dbraw/zinc/11/25/25/399112525.db2.gz MLEFZTMPJIXHQC-DZGCQCFKSA-N 1 1 319.405 2.892 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1OC ZINC000595871416 399118055 /nfs/dbraw/zinc/11/80/55/399118055.db2.gz MZCZWCQUVBBXEE-UHFFFAOYSA-N 1 1 309.410 2.813 20 5 DFBDMO COc1cc(C[N@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093455881 193254432 /nfs/dbraw/zinc/25/44/32/193254432.db2.gz VHMSNCKXJKQRJQ-UHFFFAOYSA-N 1 1 306.362 2.988 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccsc3)C2)nc1 ZINC000093534835 193266549 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C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282547846 217079493 /nfs/dbraw/zinc/07/94/93/217079493.db2.gz WVPWRXPRUBDJFO-HNNXBMFYSA-N 1 1 318.373 2.555 20 5 DFBDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614212189 399176638 /nfs/dbraw/zinc/17/66/38/399176638.db2.gz RWYOAKBTZNVFPP-GFCCVEGCSA-N 1 1 307.350 2.575 20 5 DFBDMO CCOCC[N@@H+]1CCN(c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000596113589 399178402 /nfs/dbraw/zinc/17/84/02/399178402.db2.gz CMTNMUSLUBBGDT-NSHDSACASA-N 1 1 313.423 2.512 20 5 DFBDMO CCOCC[N@H+]1CCN(c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000596113589 399178409 /nfs/dbraw/zinc/17/84/09/399178409.db2.gz CMTNMUSLUBBGDT-NSHDSACASA-N 1 1 313.423 2.512 20 5 DFBDMO COC1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000271711168 209146452 /nfs/dbraw/zinc/14/64/52/209146452.db2.gz JCJQDSOVVBHFOG-UHFFFAOYSA-N 1 1 305.334 2.737 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000266169938 205155830 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O=[N+]([O-])c1ccc2[nH+]ccc(NCC3(CCO)CCC3)c2c1 ZINC000601130151 399235400 /nfs/dbraw/zinc/23/54/00/399235400.db2.gz FWZIVSJWJPJTKF-UHFFFAOYSA-N 1 1 301.346 2.530 20 5 DFBDMO CN(CCCn1ccnc1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601131762 399236495 /nfs/dbraw/zinc/23/64/95/399236495.db2.gz PYLTVTBLDJDNBG-UHFFFAOYSA-N 1 1 311.345 2.866 20 5 DFBDMO C[C@@H](O)[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601132821 399237389 /nfs/dbraw/zinc/23/73/89/399237389.db2.gz OLEQFCWKFUAKDL-NEPJUHHUSA-N 1 1 301.346 2.740 20 5 DFBDMO COc1ccsc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149792 399241885 /nfs/dbraw/zinc/24/18/85/399241885.db2.gz PPFMWPOAPXTUAX-OAHLLOKOSA-N 1 1 322.386 2.662 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000267594120 206163718 /nfs/dbraw/zinc/16/37/18/206163718.db2.gz IPADETSOCKPMBZ-IUODEOHRSA-N 1 1 314.389 2.919 20 5 DFBDMO CC[C@H]1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601176619 399248504 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DFBDMO CCOc1cc(C[N@H+]2CC[C@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000619815604 399393310 /nfs/dbraw/zinc/39/33/10/399393310.db2.gz XDRFWRPFWCHQFJ-NSHDSACASA-N 1 1 316.304 2.807 20 5 DFBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000110252920 194317917 /nfs/dbraw/zinc/31/79/17/194317917.db2.gz DCFOMIRNSDAZMJ-LLVKDONJSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000110252920 194317919 /nfs/dbraw/zinc/31/79/19/194317919.db2.gz DCFOMIRNSDAZMJ-LLVKDONJSA-N 1 1 323.780 2.559 20 5 DFBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000602116106 399397569 /nfs/dbraw/zinc/39/75/69/399397569.db2.gz JWMCQOQEHAWCIM-OCCSQVGLSA-N 1 1 305.378 2.565 20 5 DFBDMO CC[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1C ZINC000611084538 399432760 /nfs/dbraw/zinc/43/27/60/399432760.db2.gz CMLINJQEUKHWSO-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1C ZINC000611084614 399432852 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CCOc1ccc([C@H](C)[NH2+]Cc2cc(C)n[nH]2)cc1[N+](=O)[O-] ZINC000611248474 399451020 /nfs/dbraw/zinc/45/10/20/399451020.db2.gz LBYYWMONGJCXNO-NSHDSACASA-N 1 1 304.350 2.876 20 5 DFBDMO COc1cc(N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000611255921 399452642 /nfs/dbraw/zinc/45/26/42/399452642.db2.gz UMFACRWSRZLBMM-QWHCGFSZSA-N 1 1 323.368 2.806 20 5 DFBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602471273 399452849 /nfs/dbraw/zinc/45/28/49/399452849.db2.gz AZGZSEZXZIAWPR-GXTWGEPZSA-N 1 1 300.362 2.706 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cccn2)cc1[N+](=O)[O-] ZINC000611270126 399454142 /nfs/dbraw/zinc/45/41/42/399454142.db2.gz SNKGRXHRFRVKKY-OAHLLOKOSA-N 1 1 300.362 2.764 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000611270113 399454219 /nfs/dbraw/zinc/45/42/19/399454219.db2.gz RRIJJLIFQZPGTE-NKPXIPJASA-N 1 1 312.373 2.969 20 5 DFBDMO Cn1cc(C[N@H+](CCc2cccc(F)c2)C2CC2)c([N+](=O)[O-])n1 ZINC000602474532 399455057 /nfs/dbraw/zinc/45/50/57/399455057.db2.gz XXSFVRLAPRYOGB-UHFFFAOYSA-N 1 1 318.352 2.675 20 5 DFBDMO Cn1cc(C[N@@H+](CCc2cccc(F)c2)C2CC2)c([N+](=O)[O-])n1 ZINC000602474532 399455059 /nfs/dbraw/zinc/45/50/59/399455059.db2.gz XXSFVRLAPRYOGB-UHFFFAOYSA-N 1 1 318.352 2.675 20 5 DFBDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272292 399455328 /nfs/dbraw/zinc/45/53/28/399455328.db2.gz HCNSKZZIEJGCRG-YPMHNXCESA-N 1 1 306.362 2.986 20 5 DFBDMO CO[C@@H](C)C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000611273624 399456474 /nfs/dbraw/zinc/45/64/74/399456474.db2.gz STQJQOFIAXZZCE-LBPRGKRZSA-N 1 1 324.377 2.611 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602515144 399465930 /nfs/dbraw/zinc/46/59/30/399465930.db2.gz NHVGNYQLWMTXNS-GFCCVEGCSA-N 1 1 318.377 2.700 20 5 DFBDMO C[C@@H]1CCCCN1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602515144 399465931 /nfs/dbraw/zinc/46/59/31/399465931.db2.gz NHVGNYQLWMTXNS-GFCCVEGCSA-N 1 1 318.377 2.700 20 5 DFBDMO C[N@@H+]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602529925 399468519 /nfs/dbraw/zinc/46/85/19/399468519.db2.gz PZPAFPODDVGXSD-LBPRGKRZSA-N 1 1 317.311 2.797 20 5 DFBDMO C[N@H+]1CCC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602529925 399468522 /nfs/dbraw/zinc/46/85/22/399468522.db2.gz PZPAFPODDVGXSD-LBPRGKRZSA-N 1 1 317.311 2.797 20 5 DFBDMO Cc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]n1 ZINC000602557746 399475290 /nfs/dbraw/zinc/47/52/90/399475290.db2.gz HHHWFQXSYMXAOP-UHFFFAOYSA-N 1 1 314.267 2.935 20 5 DFBDMO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000602582210 399482532 /nfs/dbraw/zinc/48/25/32/399482532.db2.gz MFOIHDIJYUUMAW-LLVKDONJSA-N 1 1 317.345 2.950 20 5 DFBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501337 399483318 /nfs/dbraw/zinc/48/33/18/399483318.db2.gz ARWAXONDGDDPHH-SMDDNHRTSA-N 1 1 309.341 2.603 20 5 DFBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1F ZINC000611501387 399483326 /nfs/dbraw/zinc/48/33/26/399483326.db2.gz BGSVOWOKWVHLEU-NWDGAFQWSA-N 1 1 309.341 2.603 20 5 DFBDMO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)c1 ZINC000602607197 399488352 /nfs/dbraw/zinc/48/83/52/399488352.db2.gz IJFCKQWACVMNIC-CQSZACIVSA-N 1 1 314.389 2.935 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000611578435 399496214 /nfs/dbraw/zinc/49/62/14/399496214.db2.gz DQQSBBYIDXPYPP-CYBMUJFWSA-N 1 1 316.304 2.677 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000611616193 399499077 /nfs/dbraw/zinc/49/90/77/399499077.db2.gz TVKYAEVQOJFNNQ-GFCCVEGCSA-N 1 1 301.350 2.714 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000602638210 399499422 /nfs/dbraw/zinc/49/94/22/399499422.db2.gz NQCHBQVZIKGQFK-UHFFFAOYSA-N 1 1 303.406 2.744 20 5 DFBDMO O=[N+]([O-])c1ccc(CCNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000602638210 399499426 /nfs/dbraw/zinc/49/94/26/399499426.db2.gz NQCHBQVZIKGQFK-UHFFFAOYSA-N 1 1 303.406 2.744 20 5 DFBDMO CC1=C(c2ccco2)C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602650213 399502299 /nfs/dbraw/zinc/50/22/99/399502299.db2.gz CUPOQLFODRCEPB-UHFFFAOYSA-N 1 1 302.334 2.601 20 5 DFBDMO CC1=C(c2ccco2)C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602650213 399502301 /nfs/dbraw/zinc/50/23/01/399502301.db2.gz CUPOQLFODRCEPB-UHFFFAOYSA-N 1 1 302.334 2.601 20 5 DFBDMO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@H+]4CCCC[C@H]34)c21 ZINC000347393939 285029728 /nfs/dbraw/zinc/02/97/28/285029728.db2.gz BCHIHISJQLONEI-WCQYABFASA-N 1 1 313.361 2.577 20 5 DFBDMO CSC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000602727061 399543120 /nfs/dbraw/zinc/54/31/20/399543120.db2.gz XKWCMBPVJAYZMU-UHFFFAOYSA-N 1 1 324.402 2.693 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2sccc2[C@H]1C ZINC000611939924 399546747 /nfs/dbraw/zinc/54/67/47/399546747.db2.gz WFSXMFHNULYGSR-SNVBAGLBSA-N 1 1 306.391 2.781 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOCC2(CCOCC2)C1 ZINC000273020375 210399347 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DFBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000120240275 195125345 /nfs/dbraw/zinc/12/53/45/195125345.db2.gz ZNUOCKCLAMXDTP-CYBMUJFWSA-N 1 1 307.394 2.924 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000602764205 399560741 /nfs/dbraw/zinc/56/07/41/399560741.db2.gz UYUVRIFQCYQVAE-CYBMUJFWSA-N 1 1 306.391 2.998 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(CN2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000286469045 219005948 /nfs/dbraw/zinc/00/59/48/219005948.db2.gz PDPBWGPHYRDUGX-UHFFFAOYSA-N 1 1 322.315 2.976 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000602781763 399570481 /nfs/dbraw/zinc/57/04/81/399570481.db2.gz VRTXNDQOOLYEBN-NSHDSACASA-N 1 1 318.352 2.858 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000602781763 399570487 /nfs/dbraw/zinc/57/04/87/399570487.db2.gz VRTXNDQOOLYEBN-NSHDSACASA-N 1 1 318.352 2.858 20 5 DFBDMO C[N@@H+](CCc1nccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000157933352 197228697 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CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000602813363 399586665 /nfs/dbraw/zinc/58/66/65/399586665.db2.gz YFQVWZNLGKEFDU-NSHDSACASA-N 1 1 308.407 2.843 20 5 DFBDMO CSc1ccccc1C[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602819241 399587242 /nfs/dbraw/zinc/58/72/42/399587242.db2.gz BPRSGZBAEPZPAZ-UHFFFAOYSA-N 1 1 320.418 2.954 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000602818942 399587545 /nfs/dbraw/zinc/58/75/45/399587545.db2.gz OMFVECLSATWJJN-UHFFFAOYSA-N 1 1 312.373 2.647 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000612131015 399589449 /nfs/dbraw/zinc/58/94/49/399589449.db2.gz IOHJHETYHUGQJH-CYBMUJFWSA-N 1 1 308.353 2.982 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000602839093 399596140 /nfs/dbraw/zinc/59/61/40/399596140.db2.gz HERXEDNCYSKTQM-OAHLLOKOSA-N 1 1 316.361 2.920 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000602839093 399596142 /nfs/dbraw/zinc/59/61/42/399596142.db2.gz HERXEDNCYSKTQM-OAHLLOKOSA-N 1 1 316.361 2.920 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](n2ccnn2)C1 ZINC000602866731 399608874 /nfs/dbraw/zinc/60/88/74/399608874.db2.gz UFKWOKOKOGLRDD-JSGCOSHPSA-N 1 1 301.350 2.503 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000602868282 399609781 /nfs/dbraw/zinc/60/97/81/399609781.db2.gz VOYGZMVFQHLNHK-ZDUSSCGKSA-N 1 1 314.389 2.762 20 5 DFBDMO C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000602872969 399611322 /nfs/dbraw/zinc/61/13/22/399611322.db2.gz FOWHEYCMSVKECO-INIZCTEOSA-N 1 1 305.422 2.799 20 5 DFBDMO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000602872969 399611325 /nfs/dbraw/zinc/61/13/25/399611325.db2.gz FOWHEYCMSVKECO-INIZCTEOSA-N 1 1 305.422 2.799 20 5 DFBDMO CN1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000602872969 399611330 /nfs/dbraw/zinc/61/13/30/399611330.db2.gz FOWHEYCMSVKECO-INIZCTEOSA-N 1 1 305.422 2.799 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000602879921 399613554 /nfs/dbraw/zinc/61/35/54/399613554.db2.gz HJPYMTSTVBPMFM-CYBMUJFWSA-N 1 1 302.334 2.664 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000602879921 399613557 /nfs/dbraw/zinc/61/35/57/399613557.db2.gz HJPYMTSTVBPMFM-CYBMUJFWSA-N 1 1 302.334 2.664 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602890388 399617035 /nfs/dbraw/zinc/61/70/35/399617035.db2.gz XWMRKYJSGBHONJ-ZIAGYGMSSA-N 1 1 315.377 2.975 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602890385 399617359 /nfs/dbraw/zinc/61/73/59/399617359.db2.gz XWMRKYJSGBHONJ-KBPBESRZSA-N 1 1 315.377 2.975 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCn1ccnc1 ZINC000271598816 209046043 /nfs/dbraw/zinc/04/60/43/209046043.db2.gz AGCYIQLZTUTTDD-UHFFFAOYSA-N 1 1 318.377 2.712 20 5 DFBDMO CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000347994464 285288796 /nfs/dbraw/zinc/28/87/96/285288796.db2.gz WPGSGGPFWGRUGV-OAHLLOKOSA-N 1 1 319.405 2.760 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC=C(F)C1 ZINC000271605361 209054570 /nfs/dbraw/zinc/05/45/70/209054570.db2.gz JDAXFJYASDCQCX-UHFFFAOYSA-N 1 1 307.325 2.791 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC=C(F)C1 ZINC000271605361 209054573 /nfs/dbraw/zinc/05/45/73/209054573.db2.gz JDAXFJYASDCQCX-UHFFFAOYSA-N 1 1 307.325 2.791 20 5 DFBDMO CSC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602919768 399626751 /nfs/dbraw/zinc/62/67/51/399626751.db2.gz IEXVJNVQZJJWRT-NSHDSACASA-N 1 1 323.418 2.749 20 5 DFBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289897836 221301767 /nfs/dbraw/zinc/30/17/67/221301767.db2.gz WQLNVLJLLMMDCQ-OAHLLOKOSA-N 1 1 319.405 2.784 20 5 DFBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000289978010 221356480 /nfs/dbraw/zinc/35/64/80/221356480.db2.gz RNGOQNDPEADALT-OAHLLOKOSA-N 1 1 300.362 2.855 20 5 DFBDMO Cc1cc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000290009728 221378138 /nfs/dbraw/zinc/37/81/38/221378138.db2.gz DSDYBZFSTFCNLH-GFCCVEGCSA-N 1 1 308.382 2.753 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC000602997249 399654729 /nfs/dbraw/zinc/65/47/29/399654729.db2.gz GIZLUFQMWQDKSR-BBWFWOEESA-N 1 1 304.390 2.763 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(CF)CC3)n2)c1 ZINC000295171938 224494218 /nfs/dbraw/zinc/49/42/18/224494218.db2.gz QCPGUMDXOHJSHP-UHFFFAOYSA-N 1 1 320.324 2.826 20 5 DFBDMO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000271641182 291959136 /nfs/dbraw/zinc/95/91/36/291959136.db2.gz RKLBEIYULRAOKB-WDEREUQCSA-N 1 1 318.333 2.569 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000293022572 533559995 /nfs/dbraw/zinc/55/99/95/533559995.db2.gz KQWMDNUTXQCYBG-KRWDZBQOSA-N 1 1 322.405 2.834 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000366640363 131139966 /nfs/dbraw/zinc/13/99/66/131139966.db2.gz UDVCLZDAOKSNJA-WMLDXEAASA-N 1 1 320.389 2.730 20 5 DFBDMO C[N@@H+](CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000209843913 542869427 /nfs/dbraw/zinc/86/94/27/542869427.db2.gz DCGDGXZPQQASGH-KHPPLWFESA-N 1 1 317.389 2.599 20 5 DFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H](C)[N@@H+]1C ZINC000292712547 543016304 /nfs/dbraw/zinc/01/63/04/543016304.db2.gz GWGJJTOXBTZXSO-TXEJJXNPSA-N 1 1 300.362 2.672 20 5 DFBDMO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293770891 543021126 /nfs/dbraw/zinc/02/11/26/543021126.db2.gz PNUYANNFSGJDTE-QWHCGFSZSA-N 1 1 306.410 2.560 20 5 DFBDMO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293770891 543021128 /nfs/dbraw/zinc/02/11/28/543021128.db2.gz PNUYANNFSGJDTE-QWHCGFSZSA-N 1 1 306.410 2.560 20 5 DFBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cccnc1[N+](=O)[O-] ZINC000309807185 543065375 /nfs/dbraw/zinc/06/53/75/543065375.db2.gz LPUDVHYGZCSNLT-ZDUSSCGKSA-N 1 1 300.362 2.922 20 5 DFBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000613285980 399840843 /nfs/dbraw/zinc/84/08/43/399840843.db2.gz DUCLYLCILNCRAA-LLVKDONJSA-N 1 1 312.341 2.601 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339678530 543146303 /nfs/dbraw/zinc/14/63/03/543146303.db2.gz MWMUGOWFJDPPDI-CQSZACIVSA-N 1 1 317.389 2.964 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000052661921 425885425 /nfs/dbraw/zinc/88/54/25/425885425.db2.gz VYOYAYTVLUWZOI-CYBMUJFWSA-N 1 1 320.393 2.981 20 5 DFBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000052908437 425886277 /nfs/dbraw/zinc/88/62/77/425886277.db2.gz CUSJGTUDRVFYAD-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO Cc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000153805929 145215341 /nfs/dbraw/zinc/21/53/41/145215341.db2.gz FSFPZDUFCQWTED-OAHLLOKOSA-N 1 1 320.393 2.707 20 5 DFBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000172511298 145305363 /nfs/dbraw/zinc/30/53/63/145305363.db2.gz LAXHJSVJZSGUQZ-UHFFFAOYSA-N 1 1 323.780 2.559 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245492756 146078064 /nfs/dbraw/zinc/07/80/64/146078064.db2.gz KBRZQQYNCZNHQP-SWLSCSKDSA-N 1 1 320.393 2.789 20 5 DFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000251503040 146213151 /nfs/dbraw/zinc/21/31/51/146213151.db2.gz FSVBKJUCJUXUOX-ZNLKAECVSA-N 1 1 312.435 2.615 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000354383578 147016796 /nfs/dbraw/zinc/01/67/96/147016796.db2.gz AOFSBUGZYORIKW-ZFWWWQNUSA-N 1 1 319.405 2.848 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000354414910 147028594 /nfs/dbraw/zinc/02/85/94/147028594.db2.gz ZEZIFKQVDJAGMQ-MNOVXSKESA-N 1 1 311.407 2.601 20 5 DFBDMO COc1cc(C[N@@H+](C)CCc2ccncc2)ccc1[N+](=O)[O-] ZINC000354880571 147187708 /nfs/dbraw/zinc/18/77/08/147187708.db2.gz RZOUCJIREHJTDS-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000357666927 148076334 /nfs/dbraw/zinc/07/63/34/148076334.db2.gz RTUVGAAVDNKZAS-DGCLKSJQSA-N 1 1 306.366 2.507 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000361057380 149019163 /nfs/dbraw/zinc/01/91/63/149019163.db2.gz LYZQUXZJCINCMR-ZDUSSCGKSA-N 1 1 309.414 2.652 20 5 DFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CC(N)=O)c1ccccc1 ZINC000361469535 149124530 /nfs/dbraw/zinc/12/45/30/149124530.db2.gz MUGUDVQTRDMZKE-MRXNPFEDSA-N 1 1 313.357 2.643 20 5 DFBDMO C[C@@H](CO)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361502233 149133513 /nfs/dbraw/zinc/13/35/13/149133513.db2.gz VQEOFHYWJHANTF-AWEZNQCLSA-N 1 1 322.405 2.847 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000361511193 149135613 /nfs/dbraw/zinc/13/56/13/149135613.db2.gz PJCKUJRAOMSXHO-UHFFFAOYSA-N 1 1 304.346 2.533 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361516557 149136676 /nfs/dbraw/zinc/13/66/76/149136676.db2.gz RIWPDSQAGPPKDD-HUUCEWRRSA-N 1 1 318.377 2.685 20 5 DFBDMO O=C(C[N@@H+](CC1CC1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000361586610 149157413 /nfs/dbraw/zinc/15/74/13/149157413.db2.gz SXNZDFCMGUDYPP-UHFFFAOYSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000361661701 149185377 /nfs/dbraw/zinc/18/53/77/149185377.db2.gz OGRWJAIURZQBTD-GXTWGEPZSA-N 1 1 316.357 2.915 20 5 DFBDMO COc1c(O)cccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000361735102 149204663 /nfs/dbraw/zinc/20/46/63/149204663.db2.gz RCLSFJJNCYJNAU-UHFFFAOYSA-N 1 1 302.330 2.907 20 5 DFBDMO CCCCOCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000361983452 149270469 /nfs/dbraw/zinc/27/04/69/149270469.db2.gz NOHKYRDMTRIUTR-UHFFFAOYSA-N 1 1 307.394 2.534 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000362053536 149285373 /nfs/dbraw/zinc/28/53/73/149285373.db2.gz QTPSTCYONXYPJK-KRWDZBQOSA-N 1 1 316.332 2.658 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362531064 149299261 /nfs/dbraw/zinc/29/92/61/149299261.db2.gz ZIHSMZHWFKYQLS-LBPRGKRZSA-N 1 1 307.394 2.638 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362531064 149299264 /nfs/dbraw/zinc/29/92/64/149299264.db2.gz ZIHSMZHWFKYQLS-LBPRGKRZSA-N 1 1 307.394 2.638 20 5 DFBDMO Cc1ccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000362618145 149325574 /nfs/dbraw/zinc/32/55/74/149325574.db2.gz WLXKXEBUXLBYKY-LZWOXQAQSA-N 1 1 317.389 2.522 20 5 DFBDMO COCCc1cc[nH+]c(NCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000351569773 286156469 /nfs/dbraw/zinc/15/64/69/286156469.db2.gz VXSWCRWNUFDVAB-UHFFFAOYSA-N 1 1 305.309 2.930 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000371419513 150044420 /nfs/dbraw/zinc/04/44/20/150044420.db2.gz MXOURQZCLNCPNY-ZDUSSCGKSA-N 1 1 306.362 2.986 20 5 DFBDMO COCC[C@@H]1CCCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372088623 150135828 /nfs/dbraw/zinc/13/58/28/150135828.db2.gz NWUOCVPEBDLJDC-WMLDXEAASA-N 1 1 322.405 2.767 20 5 DFBDMO COCC[C@H]1CCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372088621 150135841 /nfs/dbraw/zinc/13/58/41/150135841.db2.gz NWUOCVPEBDLJDC-PBHICJAKSA-N 1 1 322.405 2.767 20 5 DFBDMO COc1cc(NC[C@@H]2CCCn3cc[nH+]c32)c([N+](=O)[O-])cc1F ZINC000372191608 150147259 /nfs/dbraw/zinc/14/72/59/150147259.db2.gz IELQORVEWUGABK-JTQLQIEISA-N 1 1 320.324 2.929 20 5 DFBDMO Cc1cc([C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cs1 ZINC000372274738 150156821 /nfs/dbraw/zinc/15/68/21/150156821.db2.gz SHAAKVHJHKXUEL-NSHDSACASA-N 1 1 306.391 2.688 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000372899817 150199815 /nfs/dbraw/zinc/19/98/15/150199815.db2.gz APIFFVFOITXHSU-CQSZACIVSA-N 1 1 318.377 2.605 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000372977084 150211046 /nfs/dbraw/zinc/21/10/46/150211046.db2.gz IXYXFGAXZOPWQQ-HOCLYGCPSA-N 1 1 320.389 2.994 20 5 DFBDMO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000374025059 150294238 /nfs/dbraw/zinc/29/42/38/150294238.db2.gz HUVGWCQMWQXDHV-KEYYUXOJSA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000374025059 150294239 /nfs/dbraw/zinc/29/42/39/150294239.db2.gz HUVGWCQMWQXDHV-KEYYUXOJSA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[C@@H](c2cccs2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000374064868 150301131 /nfs/dbraw/zinc/30/11/31/150301131.db2.gz KTUCZSRYSILOFF-VXGBXAGGSA-N 1 1 306.391 2.731 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c(F)c1 ZINC000351881548 286236272 /nfs/dbraw/zinc/23/62/72/286236272.db2.gz NCYNECCJZIWCMB-BONVTDFDSA-N 1 1 312.316 2.874 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c(F)c1 ZINC000351881548 286236274 /nfs/dbraw/zinc/23/62/74/286236274.db2.gz NCYNECCJZIWCMB-BONVTDFDSA-N 1 1 312.316 2.874 20 5 DFBDMO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351973807 286258195 /nfs/dbraw/zinc/25/81/95/286258195.db2.gz DQVVKZZPUVWUSS-ZBFHGGJFSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351973807 286258196 /nfs/dbraw/zinc/25/81/96/286258196.db2.gz DQVVKZZPUVWUSS-ZBFHGGJFSA-N 1 1 320.389 2.993 20 5 DFBDMO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000352012510 286269480 /nfs/dbraw/zinc/26/94/80/286269480.db2.gz FSPWFKIZLQMRCX-LLVKDONJSA-N 1 1 311.332 2.542 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000352392654 286362056 /nfs/dbraw/zinc/36/20/56/286362056.db2.gz VLDCESUUIGUIIQ-AWEZNQCLSA-N 1 1 316.361 2.555 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000184739791 158037559 /nfs/dbraw/zinc/03/75/59/158037559.db2.gz WQRDGRWZLHTBQJ-JKNJVXJCSA-N 1 1 303.406 2.880 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccco2)C1 ZINC000246277955 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426789376 /nfs/dbraw/zinc/78/93/76/426789376.db2.gz CQCQFQHKEGTTLV-AWEZNQCLSA-N 1 1 318.377 2.501 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000266929619 426798261 /nfs/dbraw/zinc/79/82/61/426798261.db2.gz LXJKUHFMKVUQLS-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1F ZINC000266947432 426801832 /nfs/dbraw/zinc/80/18/32/426801832.db2.gz YPWSZEYGRLKYBB-UHFFFAOYSA-N 1 1 306.341 2.841 20 5 DFBDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267059911 426817140 /nfs/dbraw/zinc/81/71/40/426817140.db2.gz IKQDBXKZOFAXTQ-CQSZACIVSA-N 1 1 300.362 2.589 20 5 DFBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000267182422 426840034 /nfs/dbraw/zinc/84/00/34/426840034.db2.gz FTBKLXCISATLBU-UHFFFAOYSA-N 1 1 315.320 2.728 20 5 DFBDMO C[C@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@H+]1C1CC1 ZINC000290805238 426842488 /nfs/dbraw/zinc/84/24/88/426842488.db2.gz QIVBIIZTRFCUBG-VHSXEESVSA-N 1 1 301.350 2.508 20 5 DFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246664232 426852899 /nfs/dbraw/zinc/85/28/99/426852899.db2.gz WPLVWIAIYQLEMG-NEPJUHHUSA-N 1 1 323.368 2.584 20 5 DFBDMO CC[C@@]1(CO)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189652688 426915494 /nfs/dbraw/zinc/91/54/94/426915494.db2.gz MYNXUXLNCYCUCJ-INIZCTEOSA-N 1 1 308.378 2.601 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000267279418 426861762 /nfs/dbraw/zinc/86/17/62/426861762.db2.gz UYDMYRLCJQMXNY-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO COCCCOCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180723959 426882187 /nfs/dbraw/zinc/88/21/87/426882187.db2.gz BPXFOPLGYNKLEL-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO COCCCOCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180723959 426882191 /nfs/dbraw/zinc/88/21/91/426882191.db2.gz BPXFOPLGYNKLEL-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247075045 426900627 /nfs/dbraw/zinc/90/06/27/426900627.db2.gz QAIQYJZBJBIRTM-WMLDXEAASA-N 1 1 321.421 2.636 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247075045 426900633 /nfs/dbraw/zinc/90/06/33/426900633.db2.gz QAIQYJZBJBIRTM-WMLDXEAASA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247075045 426900637 /nfs/dbraw/zinc/90/06/37/426900637.db2.gz QAIQYJZBJBIRTM-WMLDXEAASA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247075045 426900640 /nfs/dbraw/zinc/90/06/40/426900640.db2.gz QAIQYJZBJBIRTM-WMLDXEAASA-N 1 1 321.421 2.636 20 5 DFBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000295326926 426911687 /nfs/dbraw/zinc/91/16/87/426911687.db2.gz TULXWVWMGCSXMY-UHFFFAOYSA-N 1 1 323.780 2.559 20 5 DFBDMO Cc1cncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000189785366 426950069 /nfs/dbraw/zinc/95/00/69/426950069.db2.gz OIPARWNEVJPTPT-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H]1C ZINC000248357900 426993957 /nfs/dbraw/zinc/99/39/57/426993957.db2.gz QBKPBNOWQWXUGW-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291800878 426993960 /nfs/dbraw/zinc/99/39/60/426993960.db2.gz NCTRNIPARBWZDJ-WDEREUQCSA-N 1 1 300.305 2.605 20 5 DFBDMO CC(C)c1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000189798424 426953585 /nfs/dbraw/zinc/95/35/85/426953585.db2.gz XKNMALDEXACWBP-UHFFFAOYSA-N 1 1 307.394 2.788 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1ccncc1 ZINC000181495096 426955796 /nfs/dbraw/zinc/95/57/96/426955796.db2.gz SQJWLWUUMYZYTE-UHFFFAOYSA-N 1 1 315.373 2.933 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291800878 426993968 /nfs/dbraw/zinc/99/39/68/426993968.db2.gz NCTRNIPARBWZDJ-WDEREUQCSA-N 1 1 300.305 2.605 20 5 DFBDMO Cc1[nH+]ccn1CCCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291696203 426957742 /nfs/dbraw/zinc/95/77/42/426957742.db2.gz TVPVOANLLZPDHQ-UHFFFAOYSA-N 1 1 312.329 2.505 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247882124 426964424 /nfs/dbraw/zinc/96/44/24/426964424.db2.gz BWFNIHBCTQLFRY-XJKSGUPXSA-N 1 1 308.353 2.861 20 5 DFBDMO CC(=O)c1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268158122 426930830 /nfs/dbraw/zinc/93/08/30/426930830.db2.gz OACANTCUCLXCIC-BONVTDFDSA-N 1 1 303.362 2.692 20 5 DFBDMO Cc1nocc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295386834 426936241 /nfs/dbraw/zinc/93/62/41/426936241.db2.gz PNBQMDAHWYCKMP-UHFFFAOYSA-N 1 1 317.345 2.935 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOCC(F)F)C1CC1 ZINC000189731900 426936327 /nfs/dbraw/zinc/93/63/27/426936327.db2.gz YFIBUXUFVWHTRV-UHFFFAOYSA-N 1 1 300.305 2.841 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOCC(F)F)C1CC1 ZINC000189731900 426936330 /nfs/dbraw/zinc/93/63/30/426936330.db2.gz YFIBUXUFVWHTRV-UHFFFAOYSA-N 1 1 300.305 2.841 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000247482963 426944166 /nfs/dbraw/zinc/94/41/66/426944166.db2.gz SXANSGQWDKODLL-SWLSCSKDSA-N 1 1 319.405 2.706 20 5 DFBDMO CCOCCOCC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000190263636 427057785 /nfs/dbraw/zinc/05/77/85/427057785.db2.gz PHLFRPOIRKMKEK-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CC2)C1 ZINC000296057577 427060298 /nfs/dbraw/zinc/06/02/98/427060298.db2.gz PCMBYFJPNIMXOR-LBPRGKRZSA-N 1 1 307.369 2.650 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000248409862 426998449 /nfs/dbraw/zinc/99/84/49/426998449.db2.gz GKCSNLSTQOMNRW-CVEARBPZSA-N 1 1 303.406 2.962 20 5 DFBDMO CCC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248470858 427003535 /nfs/dbraw/zinc/00/35/35/427003535.db2.gz VLCZNOZUGQMQKI-HUUCEWRRSA-N 1 1 322.405 2.847 20 5 DFBDMO CC[C@@H](C)C[N@@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248467980 427004261 /nfs/dbraw/zinc/00/42/61/427004261.db2.gz TYIDGQHLVAOKDO-ZIAGYGMSSA-N 1 1 310.394 2.703 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000283495758 427026261 /nfs/dbraw/zinc/02/62/61/427026261.db2.gz IFBBPXDIJZWIRG-CYBMUJFWSA-N 1 1 305.378 2.941 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000248665453 427030170 /nfs/dbraw/zinc/03/01/70/427030170.db2.gz MBQGBZQJSZFGIH-SWLSCSKDSA-N 1 1 317.389 2.848 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1ccccn1 ZINC000182268180 427042334 /nfs/dbraw/zinc/04/23/34/427042334.db2.gz GVNUDTCCWRBSNK-LBPRGKRZSA-N 1 1 314.345 2.588 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c(F)c1 ZINC000292037631 427066873 /nfs/dbraw/zinc/06/68/73/427066873.db2.gz ACIYADFKDODBSH-CQSZACIVSA-N 1 1 308.353 2.982 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c(F)c1 ZINC000292037631 427066878 /nfs/dbraw/zinc/06/68/78/427066878.db2.gz ACIYADFKDODBSH-CQSZACIVSA-N 1 1 308.353 2.982 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276560025 427099574 /nfs/dbraw/zinc/09/95/74/427099574.db2.gz GFPXGMHMKRQNKD-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO Nc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000249262121 427101563 /nfs/dbraw/zinc/10/15/63/427101563.db2.gz HGGAQXGWAYVOHT-WFASDCNBSA-N 1 1 316.405 2.630 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)c2cccnc2)C2CC2)cc1 ZINC000296223304 427115446 /nfs/dbraw/zinc/11/54/46/427115446.db2.gz GYFCDGMJJNKRCH-QGZVFWFLSA-N 1 1 313.357 2.688 20 5 DFBDMO CCOc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276977811 427132137 /nfs/dbraw/zinc/13/21/37/427132137.db2.gz XVNDCNUBAHWHNL-HIFRSBDPSA-N 1 1 319.405 2.662 20 5 DFBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000296357373 427155776 /nfs/dbraw/zinc/15/57/76/427155776.db2.gz RYJANDRCSOROMQ-IAQYHMDHSA-N 1 1 317.345 2.595 20 5 DFBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000296357373 427155780 /nfs/dbraw/zinc/15/57/80/427155780.db2.gz RYJANDRCSOROMQ-IAQYHMDHSA-N 1 1 317.345 2.595 20 5 DFBDMO COC[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000270533283 271304047 /nfs/dbraw/zinc/30/40/47/271304047.db2.gz FWSQQGZTOUNZPQ-GFCCVEGCSA-N 1 1 317.345 2.718 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000280482582 271325869 /nfs/dbraw/zinc/32/58/69/271325869.db2.gz LNNOUHBKRHFNAV-MRXNPFEDSA-N 1 1 308.378 2.994 20 5 DFBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302407962 271363076 /nfs/dbraw/zinc/36/30/76/271363076.db2.gz HAOYZLCZKIJVJV-QLFBSQMISA-N 1 1 319.405 2.673 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277362526 427178739 /nfs/dbraw/zinc/17/87/39/427178739.db2.gz BASXEMPKUMJDTQ-GFCCVEGCSA-N 1 1 317.393 2.639 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC000292367550 427180074 /nfs/dbraw/zinc/18/00/74/427180074.db2.gz RSPFCOHCLAXXGK-KRWDZBQOSA-N 1 1 312.373 2.675 20 5 DFBDMO C[C@H](C(=O)NC1CCCC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285370006 427212378 /nfs/dbraw/zinc/21/23/78/427212378.db2.gz QVGBCUKMKIOYAS-CYBMUJFWSA-N 1 1 319.405 2.516 20 5 DFBDMO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285370006 427212380 /nfs/dbraw/zinc/21/23/80/427212380.db2.gz QVGBCUKMKIOYAS-CYBMUJFWSA-N 1 1 319.405 2.516 20 5 DFBDMO CC(C)[C@]1(CO)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000293157475 427229562 /nfs/dbraw/zinc/22/95/62/427229562.db2.gz UOJUBTGAQJKUJU-QGZVFWFLSA-N 1 1 322.405 2.704 20 5 DFBDMO C[C@@H]1C[C@H](N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000255072941 427236760 /nfs/dbraw/zinc/23/67/60/427236760.db2.gz DHDQZZFLJMATSP-JWINAJMKSA-N 1 1 317.389 2.549 20 5 DFBDMO CC(C)[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000293189519 427240208 /nfs/dbraw/zinc/24/02/08/427240208.db2.gz QENMQIYKVMFPJI-OAHLLOKOSA-N 1 1 319.361 2.983 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000293189519 427240218 /nfs/dbraw/zinc/24/02/18/427240218.db2.gz QENMQIYKVMFPJI-OAHLLOKOSA-N 1 1 319.361 2.983 20 5 DFBDMO Cc1c(C[NH2+][C@H](c2nncn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000285472155 427242271 /nfs/dbraw/zinc/24/22/71/427242271.db2.gz VAOZJHFOECYGOK-AWEZNQCLSA-N 1 1 303.366 2.519 20 5 DFBDMO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000296866334 427256762 /nfs/dbraw/zinc/25/67/62/427256762.db2.gz ZGUOLWVURNBNBP-AWEZNQCLSA-N 1 1 303.406 2.553 20 5 DFBDMO C[C@@H]1CN(C2CC2)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296866334 427256768 /nfs/dbraw/zinc/25/67/68/427256768.db2.gz ZGUOLWVURNBNBP-AWEZNQCLSA-N 1 1 303.406 2.553 20 5 DFBDMO C[C@@H]1CN(C2CC2)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296866334 427256772 /nfs/dbraw/zinc/25/67/72/427256772.db2.gz ZGUOLWVURNBNBP-AWEZNQCLSA-N 1 1 303.406 2.553 20 5 DFBDMO CO[C@@H](C)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285562441 427272996 /nfs/dbraw/zinc/27/29/96/427272996.db2.gz HDKAABPGFLONMJ-WDEREUQCSA-N 1 1 320.349 2.673 20 5 DFBDMO CO[C@@H](C)C[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285562441 427273001 /nfs/dbraw/zinc/27/30/01/427273001.db2.gz HDKAABPGFLONMJ-WDEREUQCSA-N 1 1 320.349 2.673 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613825 427274458 /nfs/dbraw/zinc/27/44/58/427274458.db2.gz RPHWUPZIJDADGO-UKRRQHHQSA-N 1 1 321.421 2.908 20 5 DFBDMO CC(C)c1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330782500 427302251 /nfs/dbraw/zinc/30/22/51/427302251.db2.gz HEVXXLNXXLCHCH-BETUJISGSA-N 1 1 319.405 2.883 20 5 DFBDMO CC(C)c1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330782500 427302259 /nfs/dbraw/zinc/30/22/59/427302259.db2.gz HEVXXLNXXLCHCH-BETUJISGSA-N 1 1 319.405 2.883 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277831884 427331786 /nfs/dbraw/zinc/33/17/86/427331786.db2.gz RPENOGQBLIXWCH-WCQYABFASA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277831884 427331790 /nfs/dbraw/zinc/33/17/90/427331790.db2.gz RPENOGQBLIXWCH-WCQYABFASA-N 1 1 318.295 2.730 20 5 DFBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000331113053 427347347 /nfs/dbraw/zinc/34/73/47/427347347.db2.gz JJNIMTJGYPRLLP-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO CCc1nocc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000293352911 427297650 /nfs/dbraw/zinc/29/76/50/427297650.db2.gz HXPRARDCUJIRRD-UHFFFAOYSA-N 1 1 305.334 2.656 20 5 DFBDMO CCc1nocc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000293352911 427297655 /nfs/dbraw/zinc/29/76/55/427297655.db2.gz HXPRARDCUJIRRD-UHFFFAOYSA-N 1 1 305.334 2.656 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](O)C3)cs2)c1 ZINC000271030437 427380339 /nfs/dbraw/zinc/38/03/39/427380339.db2.gz YGYXDUOLOYNGPB-AWEZNQCLSA-N 1 1 319.386 2.675 20 5 DFBDMO 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ZINC000262113725 273974350 /nfs/dbraw/zinc/97/43/50/273974350.db2.gz JZRRJMGAAMGOLY-LBPRGKRZSA-N 1 1 300.362 2.640 20 5 DFBDMO C[C@H]1C[N@@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000344409170 428638577 /nfs/dbraw/zinc/63/85/77/428638577.db2.gz CBZNDWVZMXIYCL-VIFPVBQESA-N 1 1 303.284 2.754 20 5 DFBDMO CC1CC([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353644233 428635562 /nfs/dbraw/zinc/63/55/62/428635562.db2.gz MUWLJQAXRYQHDO-ABIUDSBCSA-N 1 1 300.362 2.806 20 5 DFBDMO COc1cc(C[N@H+]2CCCC23CCOCC3)c([N+](=O)[O-])cc1F ZINC000368403992 274093474 /nfs/dbraw/zinc/09/34/74/274093474.db2.gz UFUQGEOXUIHFLQ-UHFFFAOYSA-N 1 1 324.352 2.888 20 5 DFBDMO CSC1(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000368225223 274174483 /nfs/dbraw/zinc/17/44/83/274174483.db2.gz GYRMLLQJKXVFEJ-GFCCVEGCSA-N 1 1 310.423 2.714 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358750822 428657380 /nfs/dbraw/zinc/65/73/80/428657380.db2.gz HWANJKGPUKNYQH-AWEZNQCLSA-N 1 1 316.361 2.504 20 5 DFBDMO C[C@@H](C1CCC1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357046326 274205497 /nfs/dbraw/zinc/20/54/97/274205497.db2.gz UWTZVDDTRPNATO-LBPRGKRZSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000348221028 428662691 /nfs/dbraw/zinc/66/26/91/428662691.db2.gz DHOLSLWIYYLKJW-CXAGYDPISA-N 1 1 320.389 2.863 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000358871963 428713370 /nfs/dbraw/zinc/71/33/70/428713370.db2.gz QIOVKSQNZCQTFV-UHFFFAOYSA-N 1 1 323.441 2.585 20 5 DFBDMO O=[N+]([O-])c1cnc(N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000374497251 428686946 /nfs/dbraw/zinc/68/69/46/428686946.db2.gz RNISAWSSHSMFNZ-IMRBUKKESA-N 1 1 316.386 2.594 20 5 DFBDMO CO[C@@H](C)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411285358 428772724 /nfs/dbraw/zinc/77/27/24/428772724.db2.gz RGFLWADYOSSRFS-ZDUSSCGKSA-N 1 1 323.393 2.669 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000353924304 428779434 /nfs/dbraw/zinc/77/94/34/428779434.db2.gz WCKIPLCUBOYZDO-RYUDHWBXSA-N 1 1 320.393 2.714 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000359083715 428807414 /nfs/dbraw/zinc/80/74/14/428807414.db2.gz PJBKMDFTIQFPJZ-KGLIPLIRSA-N 1 1 306.410 2.916 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)n1 ZINC000359096581 428814246 /nfs/dbraw/zinc/81/42/46/428814246.db2.gz PJUBLJAVSNEXAG-KGLIPLIRSA-N 1 1 304.394 2.670 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345279628 428827575 /nfs/dbraw/zinc/82/75/75/428827575.db2.gz VXDPLHZASNIDSE-OLZOCXBDSA-N 1 1 320.393 2.816 20 5 DFBDMO C[C@@H]1[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000375243035 428828697 /nfs/dbraw/zinc/82/86/97/428828697.db2.gz SXLRQORRBXUEMM-XJKSGUPXSA-N 1 1 320.389 2.519 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363026687 428843932 /nfs/dbraw/zinc/84/39/32/428843932.db2.gz LJDYEHJOJHYGGS-NWDGAFQWSA-N 1 1 323.780 2.605 20 5 DFBDMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000363187354 428879650 /nfs/dbraw/zinc/87/96/50/428879650.db2.gz LMPXWEYUXGZVAG-CQSZACIVSA-N 1 1 317.389 2.650 20 5 DFBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000412028913 428912325 /nfs/dbraw/zinc/91/23/25/428912325.db2.gz BPTDQZZTXDVDOR-HNNXBMFYSA-N 1 1 317.389 2.572 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449845 428916465 /nfs/dbraw/zinc/91/64/65/428916465.db2.gz NGDVEMDRPSPMMX-SJORKVTESA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449845 428916470 /nfs/dbraw/zinc/91/64/70/428916470.db2.gz NGDVEMDRPSPMMX-SJORKVTESA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449845 428916476 /nfs/dbraw/zinc/91/64/76/428916476.db2.gz NGDVEMDRPSPMMX-SJORKVTESA-N 1 1 319.405 2.532 20 5 DFBDMO Cc1nc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000363444233 428917982 /nfs/dbraw/zinc/91/79/82/428917982.db2.gz OGQAHLSSCHPWOY-UHFFFAOYSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1nnc([C@@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412043872 428925159 /nfs/dbraw/zinc/92/51/59/428925159.db2.gz PUXWOAQJSAELIV-WCQYABFASA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412043872 428925164 /nfs/dbraw/zinc/92/51/64/428925164.db2.gz PUXWOAQJSAELIV-WCQYABFASA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1n[nH]c([C@@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412043872 428925169 /nfs/dbraw/zinc/92/51/69/428925169.db2.gz PUXWOAQJSAELIV-WCQYABFASA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000412043872 428925175 /nfs/dbraw/zinc/92/51/75/428925175.db2.gz PUXWOAQJSAELIV-WCQYABFASA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000412043872 428925178 /nfs/dbraw/zinc/92/51/78/428925178.db2.gz PUXWOAQJSAELIV-WCQYABFASA-N 1 1 315.377 2.880 20 5 DFBDMO CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000412051625 428928155 /nfs/dbraw/zinc/92/81/55/428928155.db2.gz WUSVUQHVGLXNIU-KKUMJFAQSA-N 1 1 320.389 2.586 20 5 DFBDMO CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000412051627 428929014 /nfs/dbraw/zinc/92/90/14/428929014.db2.gz WUSVUQHVGLXNIU-SOUVJXGZSA-N 1 1 320.389 2.586 20 5 DFBDMO COC(=O)[C@]1(C)CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000412072735 428940677 /nfs/dbraw/zinc/94/06/77/428940677.db2.gz PWKMOXSZTSYXHY-BLLLJJGKSA-N 1 1 306.362 2.931 20 5 DFBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000363641681 428960654 /nfs/dbraw/zinc/96/06/54/428960654.db2.gz QKWBPLRODKFCCQ-YUELXQCFSA-N 1 1 308.353 2.979 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451907503 429016848 /nfs/dbraw/zinc/01/68/48/429016848.db2.gz HSIXXMQSUZFTIF-INIZCTEOSA-N 1 1 306.362 2.606 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)c(Cl)c1 ZINC000433236632 429016890 /nfs/dbraw/zinc/01/68/90/429016890.db2.gz ZQFKMXOMQLREMC-UHFFFAOYSA-N 1 1 312.732 2.716 20 5 DFBDMO Cn1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433278699 429019118 /nfs/dbraw/zinc/01/91/18/429019118.db2.gz KRHOGFKLKQZMSO-HNNXBMFYSA-N 1 1 300.362 2.841 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)C(C)C ZINC000421745129 429024318 /nfs/dbraw/zinc/02/43/18/429024318.db2.gz SWGAIYZPTWHBAB-UHFFFAOYSA-N 1 1 307.394 2.672 20 5 DFBDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000451952935 429024926 /nfs/dbraw/zinc/02/49/26/429024926.db2.gz IGNORQWKIRPRFS-NWDGAFQWSA-N 1 1 305.378 2.704 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000375806961 428981449 /nfs/dbraw/zinc/98/14/49/428981449.db2.gz BDROLKUOJZBZPI-CABCVRRESA-N 1 1 319.405 2.532 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354481702 428992453 /nfs/dbraw/zinc/99/24/53/428992453.db2.gz AAGPCFGJQSFHDD-CYBMUJFWSA-N 1 1 319.405 2.686 20 5 DFBDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000433081104 428993842 /nfs/dbraw/zinc/99/38/42/428993842.db2.gz FWVKDCDSBYOSBQ-OAHLLOKOSA-N 1 1 314.389 2.880 20 5 DFBDMO CCOC(=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000355294339 429037952 /nfs/dbraw/zinc/03/79/52/429037952.db2.gz PUNCQGAGJCMXEK-UHFFFAOYSA-N 1 1 324.377 2.637 20 5 DFBDMO CCOC(=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000355294339 429037959 /nfs/dbraw/zinc/03/79/59/429037959.db2.gz PUNCQGAGJCMXEK-UHFFFAOYSA-N 1 1 324.377 2.637 20 5 DFBDMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452020379 429040301 /nfs/dbraw/zinc/04/03/01/429040301.db2.gz ZITYGSBPBXZWIU-CHWSQXEVSA-N 1 1 308.378 2.597 20 5 DFBDMO C[C@H]1C[C@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000452073568 429049832 /nfs/dbraw/zinc/04/98/32/429049832.db2.gz YADJMQRGBRFYEN-CABZTGNLSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H]1C[C@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000452073568 429049834 /nfs/dbraw/zinc/04/98/34/429049834.db2.gz YADJMQRGBRFYEN-CABZTGNLSA-N 1 1 318.295 2.816 20 5 DFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]([NH3+])C1CC1 ZINC000423315902 429062104 /nfs/dbraw/zinc/06/21/04/429062104.db2.gz JGEPFIZQATXGFW-QWHCGFSZSA-N 1 1 309.435 2.792 20 5 DFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N)C1CC1 ZINC000423315902 429062109 /nfs/dbraw/zinc/06/21/09/429062109.db2.gz JGEPFIZQATXGFW-QWHCGFSZSA-N 1 1 309.435 2.792 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000374365470 274898729 /nfs/dbraw/zinc/89/87/29/274898729.db2.gz KMMBIEMGJGHOIZ-LBPRGKRZSA-N 1 1 323.356 2.870 20 5 DFBDMO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382775 429077638 /nfs/dbraw/zinc/07/76/38/429077638.db2.gz PCQJUGOTWJJBHR-VBNZEHGJSA-N 1 1 303.406 2.646 20 5 DFBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(CC)CC ZINC000434985279 429118580 /nfs/dbraw/zinc/11/85/80/429118580.db2.gz HQIJDZXCWAQUNY-KBPBESRZSA-N 1 1 324.425 2.744 20 5 DFBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(CC)CC ZINC000434985279 429118583 /nfs/dbraw/zinc/11/85/83/429118583.db2.gz HQIJDZXCWAQUNY-KBPBESRZSA-N 1 1 324.425 2.744 20 5 DFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413025788 429125093 /nfs/dbraw/zinc/12/50/93/429125093.db2.gz HRUYNVFLAARPEK-CYBMUJFWSA-N 1 1 316.336 2.815 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413025303 429125291 /nfs/dbraw/zinc/12/52/91/429125291.db2.gz QCBNBCOHAVBIOO-VIFPVBQESA-N 1 1 318.299 2.905 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000363868047 429132179 /nfs/dbraw/zinc/13/21/79/429132179.db2.gz MPSMMQOUWJMPTR-IRXDYDNUSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C ZINC000363868047 429132184 /nfs/dbraw/zinc/13/21/84/429132184.db2.gz MPSMMQOUWJMPTR-IRXDYDNUSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C ZINC000363868047 429132186 /nfs/dbraw/zinc/13/21/86/429132186.db2.gz MPSMMQOUWJMPTR-IRXDYDNUSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000376578635 429140782 /nfs/dbraw/zinc/14/07/82/429140782.db2.gz CHEUZZJNKWIWBQ-HIFRSBDPSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000060378002 275040253 /nfs/dbraw/zinc/04/02/53/275040253.db2.gz LWAVLKDGMRGARF-UHFFFAOYSA-N 1 1 313.357 2.623 20 5 DFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488726119 429190137 /nfs/dbraw/zinc/19/01/37/429190137.db2.gz VCJUWTRMLFSQRI-LOWVWBTDSA-N 1 1 324.812 2.810 20 5 DFBDMO COc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722038 429190172 /nfs/dbraw/zinc/19/01/72/429190172.db2.gz NEPNXUKGNOTTBN-HEHGZKQESA-N 1 1 319.405 2.770 20 5 DFBDMO Cc1ccc(NC2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1 ZINC000364606721 429232791 /nfs/dbraw/zinc/23/27/91/429232791.db2.gz NWVCETOPZGMRLH-UHFFFAOYSA-N 1 1 315.377 2.718 20 5 DFBDMO C[C@@H]1CC2(CCC2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364599704 429230430 /nfs/dbraw/zinc/23/04/30/429230430.db2.gz FBVZHCVLQBECEN-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@@H]1CC2(CCC2)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364599704 429230434 /nfs/dbraw/zinc/23/04/34/429230434.db2.gz FBVZHCVLQBECEN-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364617839 429235226 /nfs/dbraw/zinc/23/52/26/429235226.db2.gz BQCWOVIRFUEIIM-DAXOMENPSA-N 1 1 320.389 2.719 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC1(C)C ZINC000489470486 429244144 /nfs/dbraw/zinc/24/41/44/429244144.db2.gz FPWPAFFDKHUDOI-CQSZACIVSA-N 1 1 305.378 2.962 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000425278783 429256265 /nfs/dbraw/zinc/25/62/65/429256265.db2.gz FJMHSUUMHZTRTJ-YVEFUNNKSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000425355857 429274170 /nfs/dbraw/zinc/27/41/70/429274170.db2.gz MNAMHKZNIDPNEH-SWLSCSKDSA-N 1 1 309.797 2.774 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425554847 429320847 /nfs/dbraw/zinc/32/08/47/429320847.db2.gz WYMBDORIIWLSGY-NEPJUHHUSA-N 1 1 301.350 2.572 20 5 DFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000449077708 429324776 /nfs/dbraw/zinc/32/47/76/429324776.db2.gz SQGPRJCBRZJKSZ-UONOGXRCSA-N 1 1 303.406 2.600 20 5 DFBDMO CCN1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104236 429333617 /nfs/dbraw/zinc/33/36/17/429333617.db2.gz FHBHCMWKBNFGHD-LSDHHAIUSA-N 1 1 305.422 2.847 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425513676 429314495 /nfs/dbraw/zinc/31/44/95/429314495.db2.gz OKZAXSSZVBIAAR-ZFWWWQNUSA-N 1 1 315.377 2.893 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000425525083 429315621 /nfs/dbraw/zinc/31/56/21/429315621.db2.gz SMWVEIDOVIDKCL-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000425525083 429315628 /nfs/dbraw/zinc/31/56/28/429315628.db2.gz SMWVEIDOVIDKCL-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000449358300 429397528 /nfs/dbraw/zinc/39/75/28/429397528.db2.gz FIRPTECNACLCJK-JOYOIKCWSA-N 1 1 315.320 2.945 20 5 DFBDMO C[N@@H+](CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000491521265 429369293 /nfs/dbraw/zinc/36/92/93/429369293.db2.gz UBONTRRYBYZMDA-MDZDMXLPSA-N 1 1 317.389 2.599 20 5 DFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1noc(C2CC2)n1 ZINC000449297816 429380709 /nfs/dbraw/zinc/38/07/09/429380709.db2.gz HSDMRSINIOKVDP-LLVKDONJSA-N 1 1 316.361 2.966 20 5 DFBDMO CC[N@@H+](CCNc1nc(C)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000491665528 429388114 /nfs/dbraw/zinc/38/81/14/429388114.db2.gz LAIDXEFICQHPMH-UHFFFAOYSA-N 1 1 320.315 2.984 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366265942 429444161 /nfs/dbraw/zinc/44/41/61/429444161.db2.gz HEVNHIGJCWQMJP-IAGOWNOFSA-N 1 1 320.389 2.755 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366265942 429444164 /nfs/dbraw/zinc/44/41/64/429444164.db2.gz HEVNHIGJCWQMJP-IAGOWNOFSA-N 1 1 320.389 2.755 20 5 DFBDMO COc1ccc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000449583198 429455497 /nfs/dbraw/zinc/45/54/97/429455497.db2.gz HXLRHMZDVBFZGX-CYBMUJFWSA-N 1 1 310.394 2.832 20 5 DFBDMO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502933 429436065 /nfs/dbraw/zinc/43/60/65/429436065.db2.gz SGXAAOGCWJFVJQ-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449502933 429436071 /nfs/dbraw/zinc/43/60/71/429436071.db2.gz SGXAAOGCWJFVJQ-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)C1CCSCC1 ZINC000449689081 429480874 /nfs/dbraw/zinc/48/08/74/429480874.db2.gz XQSJYOILSREPRV-HWKANZROSA-N 1 1 322.430 2.798 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449688204 429481195 /nfs/dbraw/zinc/48/11/95/429481195.db2.gz TWKVVCYKAKWUEC-INIZCTEOSA-N 1 1 306.362 2.606 20 5 DFBDMO C[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519806666 429489692 /nfs/dbraw/zinc/48/96/92/429489692.db2.gz XPEKFSINBBNGGA-KGLIPLIRSA-N 1 1 319.405 2.546 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC12CCCCCC2 ZINC000366740658 429503477 /nfs/dbraw/zinc/50/34/77/429503477.db2.gz SWKWXAZWKHJZJI-UHFFFAOYSA-N 1 1 319.405 2.945 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429574785 429617628 /nfs/dbraw/zinc/61/76/28/429617628.db2.gz BHCKSDFRLYADTQ-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC12CCOCC2 ZINC000367320346 429621267 /nfs/dbraw/zinc/62/12/67/429621267.db2.gz UGDHSGIHWYXFEV-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO C[N@@H+](CCCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492955191 429653231 /nfs/dbraw/zinc/65/32/31/429653231.db2.gz JBQCUPWCARXNFG-JXMROGBWSA-N 1 1 317.389 2.599 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000367453060 429649921 /nfs/dbraw/zinc/64/99/21/429649921.db2.gz XVTKNTRRDCDLHE-GJZGRUSLSA-N 1 1 306.362 2.747 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000367453062 429650706 /nfs/dbraw/zinc/65/07/06/429650706.db2.gz XVTKNTRRDCDLHE-LSDHHAIUSA-N 1 1 306.362 2.747 20 5 DFBDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)no1 ZINC000367274071 429608478 /nfs/dbraw/zinc/60/84/78/429608478.db2.gz JMNHPYDKLYGMSJ-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)no1 ZINC000367274071 429608484 /nfs/dbraw/zinc/60/84/84/429608484.db2.gz JMNHPYDKLYGMSJ-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429551460 429614600 /nfs/dbraw/zinc/61/46/00/429614600.db2.gz YEKZXIRKZHEFHL-CYBMUJFWSA-N 1 1 319.405 2.894 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450595903 429656543 /nfs/dbraw/zinc/65/65/43/429656543.db2.gz MTXGGLPLGVZEID-LLVKDONJSA-N 1 1 313.785 2.507 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000430214595 429663564 /nfs/dbraw/zinc/66/35/64/429663564.db2.gz DYDGHKAUWPEHHE-WFASDCNBSA-N 1 1 308.378 2.586 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210552 429663870 /nfs/dbraw/zinc/66/38/70/429663870.db2.gz DOKSDCSJMFAVAQ-GDBMZVCRSA-N 1 1 319.405 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](C(C)C)CC1 ZINC000430225248 429664626 /nfs/dbraw/zinc/66/46/26/429664626.db2.gz XSYJXXWTEJFJBY-UHFFFAOYSA-N 1 1 307.394 2.520 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000430241212 429668232 /nfs/dbraw/zinc/66/82/32/429668232.db2.gz GEARFNLHGPAONY-JSGCOSHPSA-N 1 1 307.394 2.518 20 5 DFBDMO CC1=C[C@@H](C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430284647 429674308 /nfs/dbraw/zinc/67/43/08/429674308.db2.gz MUDYFOSTKVAVTB-YPMHNXCESA-N 1 1 303.362 2.820 20 5 DFBDMO CC1=C[C@@H](C)C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430284647 429674310 /nfs/dbraw/zinc/67/43/10/429674310.db2.gz MUDYFOSTKVAVTB-YPMHNXCESA-N 1 1 303.362 2.820 20 5 DFBDMO Cn1cc([C@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)cn1 ZINC000493032249 429674653 /nfs/dbraw/zinc/67/46/53/429674653.db2.gz KMELMYIZENSQOI-NSHDSACASA-N 1 1 320.780 2.971 20 5 DFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000364994197 276135064 /nfs/dbraw/zinc/13/50/64/276135064.db2.gz CCGYHYMGJZRALB-HNNXBMFYSA-N 1 1 315.377 2.586 20 5 DFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1cccc(OC)c1 ZINC000176209088 276350415 /nfs/dbraw/zinc/35/04/15/276350415.db2.gz WFHHXGFHLGAOGR-CYBMUJFWSA-N 1 1 318.377 2.883 20 5 DFBDMO Cn1ccnc1[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367704017 429702800 /nfs/dbraw/zinc/70/28/00/429702800.db2.gz OJIGNIJTVRRYCK-DRDHIDPGSA-N 1 1 312.373 2.831 20 5 DFBDMO CC(=O)c1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000367713083 429704659 /nfs/dbraw/zinc/70/46/59/429704659.db2.gz PSJOHRHUZSMNOB-KBPBESRZSA-N 1 1 303.362 2.836 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000431041343 429737196 /nfs/dbraw/zinc/73/71/96/429737196.db2.gz SWUNDLOPHBHAOY-UHFFFAOYSA-N 1 1 309.797 2.824 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)cc1OC(F)F ZINC000368183481 429804882 /nfs/dbraw/zinc/80/48/82/429804882.db2.gz HHHFELCOKORQMP-QMMMGPOBSA-N 1 1 324.287 2.889 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)cc1OC(F)F ZINC000368183481 429804886 /nfs/dbraw/zinc/80/48/86/429804886.db2.gz HHHFELCOKORQMP-QMMMGPOBSA-N 1 1 324.287 2.889 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451423528 429827623 /nfs/dbraw/zinc/82/76/23/429827623.db2.gz RYBHEWSXOSHOCS-IIAWOOMASA-N 1 1 320.389 2.599 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451543186 429847151 /nfs/dbraw/zinc/84/71/51/429847151.db2.gz BFSXIEVOWNCTFJ-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451543186 429847153 /nfs/dbraw/zinc/84/71/53/429847153.db2.gz BFSXIEVOWNCTFJ-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO CO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000451545091 429849458 /nfs/dbraw/zinc/84/94/58/429849458.db2.gz NSIJYIAYUGLUSM-ZWNOBZJWSA-N 1 1 305.334 2.593 20 5 DFBDMO COc1cc(C[N@@H+]2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000368227808 429811483 /nfs/dbraw/zinc/81/14/83/429811483.db2.gz PMHOTDYZHYGKTG-DGCLKSJQSA-N 1 1 306.362 2.986 20 5 DFBDMO COc1cc(C[N@H+]2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000368227808 429811486 /nfs/dbraw/zinc/81/14/86/429811486.db2.gz PMHOTDYZHYGKTG-DGCLKSJQSA-N 1 1 306.362 2.986 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451740989 429882288 /nfs/dbraw/zinc/88/22/88/429882288.db2.gz NEUYCQCWYJHAQY-NSHDSACASA-N 1 1 313.348 2.789 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368674025 429885906 /nfs/dbraw/zinc/88/59/06/429885906.db2.gz XXJNERJIIYTFMP-STQMWFEESA-N 1 1 320.349 2.566 20 5 DFBDMO Cc1cc([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cs1 ZINC000369020552 429908114 /nfs/dbraw/zinc/90/81/14/429908114.db2.gz YUZINFVYAOXEIA-LBPRGKRZSA-N 1 1 306.391 2.651 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC000562307483 430118917 /nfs/dbraw/zinc/11/89/17/430118917.db2.gz MYURJTJHLDKDDE-HOTGVXAUSA-N 1 1 323.368 2.789 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000272647998 277177291 /nfs/dbraw/zinc/17/72/91/277177291.db2.gz PJXWNLVAGCGFAL-NHYWBVRUSA-N 1 1 309.797 2.774 20 5 DFBDMO C[C@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C[N@H+]1C1CC1 ZINC000581485440 430213381 /nfs/dbraw/zinc/21/33/81/430213381.db2.gz VEHIYDMKQTWPPC-WCQYABFASA-N 1 1 316.405 2.906 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000581917162 430250703 /nfs/dbraw/zinc/25/07/03/430250703.db2.gz LLPOMUSWZDBNGE-GFCCVEGCSA-N 1 1 323.393 2.914 20 5 DFBDMO COc1ccccc1[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000542914015 430232261 /nfs/dbraw/zinc/23/22/61/430232261.db2.gz NRDJDPARPWWCBJ-OAHLLOKOSA-N 1 1 316.357 2.735 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567799430 430289504 /nfs/dbraw/zinc/28/95/04/430289504.db2.gz OYCOVEUKYQOLHT-CQSZACIVSA-N 1 1 313.357 2.988 20 5 DFBDMO Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000547449735 430394824 /nfs/dbraw/zinc/39/48/24/430394824.db2.gz UPJFLVJRVMJQCT-ZDUSSCGKSA-N 1 1 320.393 2.755 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000583907752 430438354 /nfs/dbraw/zinc/43/83/54/430438354.db2.gz KMBOUSVMPQXVMK-JSGCOSHPSA-N 1 1 308.378 2.586 20 5 DFBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccccc1[N+](=O)[O-] ZINC000547798509 430423287 /nfs/dbraw/zinc/42/32/87/430423287.db2.gz TUFDWAAZEVHACX-CYBMUJFWSA-N 1 1 305.378 2.541 20 5 DFBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000548520012 430483213 /nfs/dbraw/zinc/48/32/13/430483213.db2.gz CTDDKTZOHQLVIC-NSHDSACASA-N 1 1 311.407 2.603 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000570043456 430508039 /nfs/dbraw/zinc/50/80/39/430508039.db2.gz XTJDYUBRDJUDEM-GJZGRUSLSA-N 1 1 320.389 2.994 20 5 DFBDMO CC(C)[N@@H+]1CC[C@@H](CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000549172391 430519790 /nfs/dbraw/zinc/51/97/90/430519790.db2.gz ZKCGTZJZKXZIFA-ZKKXHLJNSA-N 1 1 303.406 2.928 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000549172391 430519794 /nfs/dbraw/zinc/51/97/94/430519794.db2.gz ZKCGTZJZKXZIFA-ZKKXHLJNSA-N 1 1 303.406 2.928 20 5 DFBDMO Cc1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000599126421 430527330 /nfs/dbraw/zinc/52/73/30/430527330.db2.gz GXSVKLBPHDXRTK-CQSZACIVSA-N 1 1 304.394 3.117 20 5 DFBDMO C[C@@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549938306 430536782 /nfs/dbraw/zinc/53/67/82/430536782.db2.gz QLTUYTHGJYTGEV-ZDUSSCGKSA-N 1 1 318.295 2.960 20 5 DFBDMO C[C@@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549938306 430536784 /nfs/dbraw/zinc/53/67/84/430536784.db2.gz QLTUYTHGJYTGEV-ZDUSSCGKSA-N 1 1 318.295 2.960 20 5 DFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000570993910 430595770 /nfs/dbraw/zinc/59/57/70/430595770.db2.gz COVVSPOLRRHEJX-INIZCTEOSA-N 1 1 318.377 2.862 20 5 DFBDMO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571514265 430632954 /nfs/dbraw/zinc/63/29/54/430632954.db2.gz IWRYZSRWMAXYDM-GJZGRUSLSA-N 1 1 321.421 2.874 20 5 DFBDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284231770 278346629 /nfs/dbraw/zinc/34/66/29/278346629.db2.gz UQXYINCDHVPTNN-GFCCVEGCSA-N 1 1 306.410 2.702 20 5 DFBDMO C[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284231770 278346631 /nfs/dbraw/zinc/34/66/31/278346631.db2.gz UQXYINCDHVPTNN-GFCCVEGCSA-N 1 1 306.410 2.702 20 5 DFBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000301657004 279375096 /nfs/dbraw/zinc/37/50/96/279375096.db2.gz BDLSODFHJMBNIS-LBPRGKRZSA-N 1 1 318.352 2.927 20 5 DFBDMO C[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000357418579 280006221 /nfs/dbraw/zinc/00/62/21/280006221.db2.gz QCNOMWRPKHXHDO-CMPLNLGQSA-N 1 1 317.345 2.554 20 5 DFBDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000354832833 280022543 /nfs/dbraw/zinc/02/25/43/280022543.db2.gz NRMLLRLIQMIIGE-RYUDHWBXSA-N 1 1 318.352 2.938 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CCCCC[C@H]21 ZINC000377175209 280375878 /nfs/dbraw/zinc/37/58/78/280375878.db2.gz HAGGWKZFAXERCS-RBSFLKMASA-N 1 1 320.389 2.599 20 5 DFBDMO Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000262091252 280587828 /nfs/dbraw/zinc/58/78/28/280587828.db2.gz IAUXDBJQHKUAHH-NEPJUHHUSA-N 1 1 300.362 2.625 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000194481936 281258709 /nfs/dbraw/zinc/25/87/09/281258709.db2.gz MZVPPXHVWCWVFP-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000115517888 281539705 /nfs/dbraw/zinc/53/97/05/281539705.db2.gz KHUPAAHBZCTXEX-CYBMUJFWSA-N 1 1 315.377 2.899 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271714837 289941815 /nfs/dbraw/zinc/94/18/15/289941815.db2.gz JTCQSFRACGKQNF-MCIONIFRSA-N 1 1 319.405 2.750 20 5 DFBDMO CCC(=O)c1ccc(N[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000368447104 295457464 /nfs/dbraw/zinc/45/74/64/295457464.db2.gz PJHMHGWNXRXLEG-GFCCVEGCSA-N 1 1 314.345 2.811 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000438485186 297094680 /nfs/dbraw/zinc/09/46/80/297094680.db2.gz UITZPJYREDBRSQ-LBPRGKRZSA-N 1 1 321.377 2.520 20 5 DFBDMO CSCCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000439471598 297127588 /nfs/dbraw/zinc/12/75/88/297127588.db2.gz RLDUUXXHWYQSQX-UHFFFAOYSA-N 1 1 322.390 2.830 20 5 DFBDMO CSCCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000439471598 297127589 /nfs/dbraw/zinc/12/75/89/297127589.db2.gz RLDUUXXHWYQSQX-UHFFFAOYSA-N 1 1 322.390 2.830 20 5 DFBDMO O=C1CCN1c1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000441218794 297176112 /nfs/dbraw/zinc/17/61/12/297176112.db2.gz NOKZHBVIBJIIPX-UHFFFAOYSA-N 1 1 311.341 2.621 20 5 DFBDMO Cc1noc(CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000441253782 297177387 /nfs/dbraw/zinc/17/73/87/297177387.db2.gz DNRJVHCCPGLZFX-UHFFFAOYSA-N 1 1 316.361 2.883 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441293820 297179394 /nfs/dbraw/zinc/17/93/94/297179394.db2.gz MVLNKMINPAIQFZ-JKSUJKDBSA-N 1 1 304.390 2.886 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccncc1OCC(F)F ZINC000441336992 297180059 /nfs/dbraw/zinc/18/00/59/297180059.db2.gz IMSDCCNMBHAXDG-UHFFFAOYSA-N 1 1 323.299 2.924 20 5 DFBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccncc2OCC(F)F)c1 ZINC000441370430 297181606 /nfs/dbraw/zinc/18/16/06/297181606.db2.gz HJPXRFUPNVTUQU-UHFFFAOYSA-N 1 1 323.299 2.924 20 5 DFBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000444750198 297248815 /nfs/dbraw/zinc/24/88/15/297248815.db2.gz YZSFRYGZVGJPBN-ZBFHGGJFSA-N 1 1 322.405 2.703 20 5 DFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000444777906 297250943 /nfs/dbraw/zinc/25/09/43/297250943.db2.gz UCNGLPPHWGGPBF-MRXNPFEDSA-N 1 1 308.378 2.730 20 5 DFBDMO Cc1ncc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000446847949 297288418 /nfs/dbraw/zinc/28/84/18/297288418.db2.gz PTXFZMBHYDVQFT-UHFFFAOYSA-N 1 1 303.347 2.526 20 5 DFBDMO CCOCC[N@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1CC ZINC000447049594 297293143 /nfs/dbraw/zinc/29/31/43/297293143.db2.gz VTMCUOOFBNPOBN-OAHLLOKOSA-N 1 1 321.421 2.840 20 5 DFBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000454267510 298146402 /nfs/dbraw/zinc/14/64/02/298146402.db2.gz YQRYVGCMOJXPJB-LBPRGKRZSA-N 1 1 318.377 2.543 20 5 DFBDMO C[N@@H+](CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000454367580 298163100 /nfs/dbraw/zinc/16/31/00/298163100.db2.gz WMCFGJQHWPEPIS-UHFFFAOYSA-N 1 1 306.366 2.591 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000515500017 300311042 /nfs/dbraw/zinc/31/10/42/300311042.db2.gz SGGKKHPSEYOWGB-LBPRGKRZSA-N 1 1 305.378 2.524 20 5 DFBDMO C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000517480786 300397123 /nfs/dbraw/zinc/39/71/23/300397123.db2.gz UXILFTAABZRXLU-ZIAGYGMSSA-N 1 1 319.405 2.546 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc(C)s1 ZINC000526045012 300619234 /nfs/dbraw/zinc/61/92/34/300619234.db2.gz KKVAEFXCYJEKOH-POHAHGRESA-N 1 1 304.375 2.948 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCOCC1 ZINC000534338248 301229265 /nfs/dbraw/zinc/22/92/65/301229265.db2.gz VZCNVTTUCAIUMS-UHFFFAOYSA-N 1 1 316.304 2.807 20 5 DFBDMO CCOc1cc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000540036266 301356673 /nfs/dbraw/zinc/35/66/73/301356673.db2.gz MXVRJSMRHDZSCF-FZMZJTMJSA-N 1 1 305.378 2.888 20 5 DFBDMO CCC[N@H+]1CC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582647 302142783 /nfs/dbraw/zinc/14/27/83/302142783.db2.gz FJPWNCJLMAVNPZ-CZUORRHYSA-N 1 1 303.406 2.904 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CCO)c1ccco1 ZINC000565216581 302208379 /nfs/dbraw/zinc/20/83/79/302208379.db2.gz OQVMYUDHVBYILE-ZIAGYGMSSA-N 1 1 302.330 2.888 20 5 DFBDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000565990323 302251475 /nfs/dbraw/zinc/25/14/75/302251475.db2.gz NHJUGGXNBYHYHC-LLVKDONJSA-N 1 1 315.329 2.627 20 5 DFBDMO CC(C)Oc1nc(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000567367161 302354805 /nfs/dbraw/zinc/35/48/05/302354805.db2.gz WRXVIJWHIVIUAN-OLZOCXBDSA-N 1 1 322.409 2.696 20 5 DFBDMO CCOC(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179241971 316004356 /nfs/dbraw/zinc/00/43/56/316004356.db2.gz YDJMGVRQSAKXIQ-UHFFFAOYSA-N 1 1 306.362 2.903 20 5 DFBDMO CCC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000185880452 316194376 /nfs/dbraw/zinc/19/43/76/316194376.db2.gz YCJAXMPGJVVEKF-GJZGRUSLSA-N 1 1 322.405 2.989 20 5 DFBDMO C[C@H]1CCCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187906608 316215054 /nfs/dbraw/zinc/21/50/54/316215054.db2.gz QUNLIUGXNTWOFG-ZDUSSCGKSA-N 1 1 317.389 2.606 20 5 DFBDMO COC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000434783182 316914096 /nfs/dbraw/zinc/91/40/96/316914096.db2.gz KQPOEMGEBKLLDA-GXTWGEPZSA-N 1 1 314.769 2.532 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000446486491 317013327 /nfs/dbraw/zinc/01/33/27/317013327.db2.gz WGMKHSGENXJUHI-SMDDNHRTSA-N 1 1 306.366 2.507 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449558864 317044267 /nfs/dbraw/zinc/04/42/67/317044267.db2.gz XDDIFUDHRMMAIK-BZUAXINKSA-N 1 1 304.390 2.886 20 5 DFBDMO C[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[NH+](C)C ZINC000449558658 317044454 /nfs/dbraw/zinc/04/44/54/317044454.db2.gz YUUWZKIUSMLFDF-LBPRGKRZSA-N 1 1 303.362 2.895 20 5 DFBDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000453616321 317193898 /nfs/dbraw/zinc/19/38/98/317193898.db2.gz GKQVKFGIGPKVLO-UHFFFAOYSA-N 1 1 302.378 2.987 20 5 DFBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2=CCCCC2)CC1 ZINC000459510409 317327884 /nfs/dbraw/zinc/32/78/84/317327884.db2.gz OJJIZHORZXDLHR-UHFFFAOYSA-N 1 1 302.378 2.612 20 5 DFBDMO CC(C)[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000487995565 317359084 /nfs/dbraw/zinc/35/90/84/317359084.db2.gz AJRFKMYLKJQHJU-QGZVFWFLSA-N 1 1 321.421 2.636 20 5 DFBDMO CC(C)[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487995565 317359089 /nfs/dbraw/zinc/35/90/89/317359089.db2.gz AJRFKMYLKJQHJU-QGZVFWFLSA-N 1 1 321.421 2.636 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487995565 317359092 /nfs/dbraw/zinc/35/90/92/317359092.db2.gz AJRFKMYLKJQHJU-QGZVFWFLSA-N 1 1 321.421 2.636 20 5 DFBDMO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576143154 318106696 /nfs/dbraw/zinc/10/66/96/318106696.db2.gz NRJUSNVIMPZKLW-MLGOLLRUSA-N 1 1 316.405 2.548 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576204912 318110512 /nfs/dbraw/zinc/11/05/12/318110512.db2.gz KXDAUZPZGGZXGU-CHWSQXEVSA-N 1 1 307.394 2.545 20 5 DFBDMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000576587990 318136422 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DFBDMO COCCOCC[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000579893034 318360550 /nfs/dbraw/zinc/36/05/50/318360550.db2.gz PBGPIMJJXBDALG-KAMYIIQDSA-N 1 1 308.378 2.593 20 5 DFBDMO CC[N@H+]1CC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000385467280 323310594 /nfs/dbraw/zinc/31/05/94/323310594.db2.gz BJMDVTVWOGYSRC-JTQLQIEISA-N 1 1 314.183 2.863 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000302147148 533995274 /nfs/dbraw/zinc/99/52/74/533995274.db2.gz JVHWIZMTACWNRH-UHFFFAOYSA-N 1 1 309.341 2.806 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)CC1(C)C ZINC000330996049 534339164 /nfs/dbraw/zinc/33/91/64/534339164.db2.gz MBSMVXBCWDQLRM-LLVKDONJSA-N 1 1 305.378 2.962 20 5 DFBDMO CCOc1cc(CN2CCC[N@@H+](CC)CC2)ccc1[N+](=O)[O-] ZINC000365190250 520697996 /nfs/dbraw/zinc/69/79/96/520697996.db2.gz GMIJLBDWFVJSIR-UHFFFAOYSA-N 1 1 307.394 2.521 20 5 DFBDMO O=C(C[N@H+]1CCCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000364836079 526733219 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ZINC000593040378 398528609 /nfs/dbraw/zinc/52/86/09/398528609.db2.gz ZUKBMETUHNXULK-UHFFFAOYSA-N 1 1 303.362 2.576 20 5 DFBDMO CN(C(=O)C[N@H+]1CCC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000593040378 398528613 /nfs/dbraw/zinc/52/86/13/398528613.db2.gz ZUKBMETUHNXULK-UHFFFAOYSA-N 1 1 303.362 2.576 20 5 DFBDMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000596913567 398528772 /nfs/dbraw/zinc/52/87/72/398528772.db2.gz ZKDIIQDQENIEQC-CYBMUJFWSA-N 1 1 320.393 2.763 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3(O)CC3)CC2)c(Cl)c1 ZINC000593051026 398531698 /nfs/dbraw/zinc/53/16/98/398531698.db2.gz RPRTZYIKVLBATI-UHFFFAOYSA-N 1 1 310.781 2.985 20 5 DFBDMO CC(C)O[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000593055269 398532728 /nfs/dbraw/zinc/53/27/28/398532728.db2.gz IZBHMCIJBSTHDS-MRXNPFEDSA-N 1 1 308.378 2.863 20 5 DFBDMO C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000272634423 210036884 /nfs/dbraw/zinc/03/68/84/210036884.db2.gz NPDNTECENRAJKW-FZMZJTMJSA-N 1 1 311.813 2.863 20 5 DFBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000032731294 398536163 /nfs/dbraw/zinc/53/61/63/398536163.db2.gz VPVZABMHIBSDKG-OLZOCXBDSA-N 1 1 305.378 2.588 20 5 DFBDMO C[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000068906052 398537353 /nfs/dbraw/zinc/53/73/53/398537353.db2.gz WBFVFFBXTBJUHQ-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO CCOC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000091677764 398539999 /nfs/dbraw/zinc/53/99/99/398539999.db2.gz XZGRTTAIWMGBKO-UHFFFAOYSA-N 1 1 324.377 2.613 20 5 DFBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000091727983 398542327 /nfs/dbraw/zinc/54/23/27/398542327.db2.gz CONOMRZNKWYNHH-CYBMUJFWSA-N 1 1 321.425 2.567 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091893523 398548828 /nfs/dbraw/zinc/54/88/28/398548828.db2.gz YLOGJGZHXMZZAH-KRWDZBQOSA-N 1 1 316.332 2.826 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091893523 398548833 /nfs/dbraw/zinc/54/88/33/398548833.db2.gz YLOGJGZHXMZZAH-KRWDZBQOSA-N 1 1 316.332 2.826 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)nc2c1 ZINC000593118972 398550897 /nfs/dbraw/zinc/55/08/97/398550897.db2.gz ZTUZIILUGTYVIL-ZDUSSCGKSA-N 1 1 309.272 2.967 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@]4(CC4(F)F)C3)nc2c1 ZINC000593118972 398550899 /nfs/dbraw/zinc/55/08/99/398550899.db2.gz ZTUZIILUGTYVIL-ZDUSSCGKSA-N 1 1 309.272 2.967 20 5 DFBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000279776431 215135749 /nfs/dbraw/zinc/13/57/49/215135749.db2.gz NIWNRPOWBHNBGD-ZIAGYGMSSA-N 1 1 308.378 2.599 20 5 DFBDMO COC(=O)c1oc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000597112597 398568215 /nfs/dbraw/zinc/56/82/15/398568215.db2.gz FIQNIGULRXVOQZ-UHFFFAOYSA-N 1 1 318.329 2.881 20 5 DFBDMO Cc1sc(C(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593203429 398570829 /nfs/dbraw/zinc/57/08/29/398570829.db2.gz CBOYSCWEKKAXOS-UHFFFAOYSA-N 1 1 313.423 2.672 20 5 DFBDMO Cc1c(CC(=O)NCCC[N@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000593203593 398571533 /nfs/dbraw/zinc/57/15/33/398571533.db2.gz PHTGZSOIRVSBRF-UHFFFAOYSA-N 1 1 321.421 2.540 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279925311 215242171 /nfs/dbraw/zinc/24/21/71/215242171.db2.gz WLAXTQNDCFKTRS-KGLIPLIRSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279925311 215242173 /nfs/dbraw/zinc/24/21/73/215242173.db2.gz WLAXTQNDCFKTRS-KGLIPLIRSA-N 1 1 320.389 2.926 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042058961 398581537 /nfs/dbraw/zinc/58/15/37/398581537.db2.gz AJSQNKUDMNOSDX-UHFFFAOYSA-N 1 1 313.785 2.708 20 5 DFBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000279955120 215268757 /nfs/dbraw/zinc/26/87/57/215268757.db2.gz XXMXUYFVUGVUGR-RVSPLBMKSA-N 1 1 320.389 2.672 20 5 DFBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000279955120 215268761 /nfs/dbraw/zinc/26/87/61/215268761.db2.gz XXMXUYFVUGVUGR-RVSPLBMKSA-N 1 1 320.389 2.672 20 5 DFBDMO CCOc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092654316 398590216 /nfs/dbraw/zinc/59/02/16/398590216.db2.gz VXSSJSFEXNXEBZ-JSGCOSHPSA-N 1 1 305.378 2.666 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000597212346 398591720 /nfs/dbraw/zinc/59/17/20/398591720.db2.gz UQFARIJYQFMMLE-NWKGZZRFSA-N 1 1 302.374 2.966 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000092672378 398593109 /nfs/dbraw/zinc/59/31/09/398593109.db2.gz XXMWWGZUXFGFSI-ZJUUUORDSA-N 1 1 309.341 2.780 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H](CO)C3)cs2)c1 ZINC000092763149 398599839 /nfs/dbraw/zinc/59/98/39/398599839.db2.gz DCAHMMASEKIDHB-NSHDSACASA-N 1 1 319.386 2.533 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H](CO)C3)cs2)c1 ZINC000092763149 398599842 /nfs/dbraw/zinc/59/98/42/398599842.db2.gz DCAHMMASEKIDHB-NSHDSACASA-N 1 1 319.386 2.533 20 5 DFBDMO CCOC[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000459703662 299167799 /nfs/dbraw/zinc/16/77/99/299167799.db2.gz GOKYFQFIDOOIRO-HNNXBMFYSA-N 1 1 308.378 2.865 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593469559 398639450 /nfs/dbraw/zinc/63/94/50/398639450.db2.gz XPLMMOQFKZYNPA-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Cl)o3)C2)nc1 ZINC000093534206 398640543 /nfs/dbraw/zinc/64/05/43/398640543.db2.gz GCQPVDOENKSLGM-JTQLQIEISA-N 1 1 322.752 2.923 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(Cl)o3)C2)nc1 ZINC000093534206 398640546 /nfs/dbraw/zinc/64/05/46/398640546.db2.gz GCQPVDOENKSLGM-JTQLQIEISA-N 1 1 322.752 2.923 20 5 DFBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000590661471 398647272 /nfs/dbraw/zinc/64/72/72/398647272.db2.gz USWIOYIQNAELPZ-IAQYHMDHSA-N 1 1 302.330 2.810 20 5 DFBDMO COC(=O)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000265134849 186335476 /nfs/dbraw/zinc/33/54/76/186335476.db2.gz HUXWABVVYOZASW-UHFFFAOYSA-N 1 1 304.302 2.573 20 5 DFBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000269582384 186390787 /nfs/dbraw/zinc/39/07/87/186390787.db2.gz FXCDJRUFDZPBEB-MRXNPFEDSA-N 1 1 317.389 2.618 20 5 DFBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000269582383 186390857 /nfs/dbraw/zinc/39/08/57/186390857.db2.gz FXCDJRUFDZPBEB-INIZCTEOSA-N 1 1 317.389 2.618 20 5 DFBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000277204145 213364873 /nfs/dbraw/zinc/36/48/73/213364873.db2.gz YDTITHGIUOEWJU-AWEZNQCLSA-N 1 1 320.437 2.589 20 5 DFBDMO CO[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000590757226 398667851 /nfs/dbraw/zinc/66/78/51/398667851.db2.gz CGEWSQFJOQSJTB-CZUORRHYSA-N 1 1 308.378 2.721 20 5 DFBDMO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000459766145 299185948 /nfs/dbraw/zinc/18/59/48/299185948.db2.gz OXJUNQQNWMRGKV-NSHDSACASA-N 1 1 306.341 2.530 20 5 DFBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000459766145 299185951 /nfs/dbraw/zinc/18/59/51/299185951.db2.gz OXJUNQQNWMRGKV-NSHDSACASA-N 1 1 306.341 2.530 20 5 DFBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593696165 398673255 /nfs/dbraw/zinc/67/32/55/398673255.db2.gz DYGHYTGAWQIPMP-LSDHHAIUSA-N 1 1 318.373 2.534 20 5 DFBDMO CCCC[N@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072630495 191206124 /nfs/dbraw/zinc/20/61/24/191206124.db2.gz IVZDYXTXTACBQM-UHFFFAOYSA-N 1 1 323.393 2.590 20 5 DFBDMO CCCC[N@@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072630495 191206126 /nfs/dbraw/zinc/20/61/26/191206126.db2.gz IVZDYXTXTACBQM-UHFFFAOYSA-N 1 1 323.393 2.590 20 5 DFBDMO CN(C(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000072693540 191216122 /nfs/dbraw/zinc/21/61/22/191216122.db2.gz UOIHMNDDCDZSQO-BBRMVZONSA-N 1 1 317.389 2.822 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000172964031 198171057 /nfs/dbraw/zinc/17/10/57/198171057.db2.gz BYNXHVFGRVHHEU-CQSZACIVSA-N 1 1 319.405 2.898 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072897152 191249540 /nfs/dbraw/zinc/24/95/40/191249540.db2.gz RJBBDBBDXLJOIC-OLZOCXBDSA-N 1 1 305.378 2.678 20 5 DFBDMO C[C@@H]([N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000045769599 398684396 /nfs/dbraw/zinc/68/43/96/398684396.db2.gz BUPHWLUDWMYZTL-GFCCVEGCSA-N 1 1 307.394 2.924 20 5 DFBDMO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCc2sccc2C1 ZINC000073587999 398689402 /nfs/dbraw/zinc/68/94/02/398689402.db2.gz YZUCZPFCDKJFIC-NSHDSACASA-N 1 1 318.402 2.910 20 5 DFBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000073616341 398690896 /nfs/dbraw/zinc/69/08/96/398690896.db2.gz XCAZYKUBWINCCN-UHFFFAOYSA-N 1 1 308.378 2.994 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC(C)(C)C1 ZINC000173819145 198257013 /nfs/dbraw/zinc/25/70/13/198257013.db2.gz OQLKLUGZRKMVSD-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC(C)(C)C1 ZINC000173819145 198257014 /nfs/dbraw/zinc/25/70/14/198257014.db2.gz OQLKLUGZRKMVSD-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000597857652 398705011 /nfs/dbraw/zinc/70/50/11/398705011.db2.gz HWKVFBWPRDOGRQ-LBPRGKRZSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859671 398705901 /nfs/dbraw/zinc/70/59/01/398705901.db2.gz XMMVMGVPRUFKDG-GFCCVEGCSA-N 1 1 305.378 2.506 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c(F)c1 ZINC000590970336 398711023 /nfs/dbraw/zinc/71/10/23/398711023.db2.gz UEGZBQPIRMQHRS-UKRRQHHQSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c(F)c1 ZINC000590970336 398711025 /nfs/dbraw/zinc/71/10/25/398711025.db2.gz UEGZBQPIRMQHRS-UKRRQHHQSA-N 1 1 306.337 2.735 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000590970314 398711273 /nfs/dbraw/zinc/71/12/73/398711273.db2.gz QKBBCOACKVWRRT-CVEARBPZSA-N 1 1 302.374 2.904 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C)CC1 ZINC000003538710 181031067 /nfs/dbraw/zinc/03/10/67/181031067.db2.gz UCWSDBXSQFBCSM-GFCCVEGCSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061984 398720586 /nfs/dbraw/zinc/72/05/86/398720586.db2.gz QEBONLYQAAZRQV-CQSZACIVSA-N 1 1 317.389 2.964 20 5 DFBDMO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945026 398725971 /nfs/dbraw/zinc/72/59/71/398725971.db2.gz GQXBTMAKNRQPHD-CYBMUJFWSA-N 1 1 317.345 2.507 20 5 DFBDMO CC[N@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000591152846 398733392 /nfs/dbraw/zinc/73/33/92/398733392.db2.gz FEEAYQJDWJFDRE-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000276980920 213216977 /nfs/dbraw/zinc/21/69/77/213216977.db2.gz YGHXIZXXFDJZNX-CQSZACIVSA-N 1 1 308.378 2.852 20 5 DFBDMO Cc1sc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000047143249 398737918 /nfs/dbraw/zinc/73/79/18/398737918.db2.gz QRBWZYXTSXIKKM-JTQLQIEISA-N 1 1 311.407 2.569 20 5 DFBDMO CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598038199 398741823 /nfs/dbraw/zinc/74/18/23/398741823.db2.gz AIGXKZIQWHCITP-XJKSGUPXSA-N 1 1 319.405 2.641 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517064 192278862 /nfs/dbraw/zinc/27/88/62/192278862.db2.gz XOVWNQSLEPYQBW-HNNXBMFYSA-N 1 1 321.421 2.637 20 5 DFBDMO CC1(C)C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2cc([N+](=O)[O-])ccc21 ZINC000591579969 398773969 /nfs/dbraw/zinc/77/39/69/398773969.db2.gz BRDRJOKVNWACPR-PGUXBMHVSA-N 1 1 307.369 2.607 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000276888539 213155986 /nfs/dbraw/zinc/15/59/86/213155986.db2.gz JQJAOGGCYNZWOK-UHFFFAOYSA-N 1 1 322.405 2.976 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000136305318 283238377 /nfs/dbraw/zinc/23/83/77/283238377.db2.gz HPADGHOISPHQMN-UHFFFAOYSA-N 1 1 306.341 2.761 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179367263 199022463 /nfs/dbraw/zinc/02/24/63/199022463.db2.gz SWFRDLAFAAUNKR-YFCVBGDOSA-N 1 1 318.373 2.693 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000075685352 398817984 /nfs/dbraw/zinc/81/79/84/398817984.db2.gz XOXZJHIZSXZOMM-CHWSQXEVSA-N 1 1 305.378 2.633 20 5 DFBDMO Cc1cc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594592541 398826205 /nfs/dbraw/zinc/82/62/05/398826205.db2.gz QRORKAXSXSSRMG-MELADBBJSA-N 1 1 307.394 2.813 20 5 DFBDMO CCC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000053376442 398870396 /nfs/dbraw/zinc/87/03/96/398870396.db2.gz ILUUMPFCBCTXQD-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3sccc3C2)nc1 ZINC000053580173 398878218 /nfs/dbraw/zinc/87/82/18/398878218.db2.gz IJQFKXYWUPWMQO-UHFFFAOYSA-N 1 1 304.375 2.522 20 5 DFBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCc3sccc3C2)nc1 ZINC000053580173 398878224 /nfs/dbraw/zinc/87/82/24/398878224.db2.gz IJQFKXYWUPWMQO-UHFFFAOYSA-N 1 1 304.375 2.522 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000595008292 398891250 /nfs/dbraw/zinc/89/12/50/398891250.db2.gz DCYFRMOOXYJXAN-IHRRRGAJSA-N 1 1 319.405 2.881 20 5 DFBDMO CN(CCOc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC[N@H+]1C ZINC000173959638 283392008 /nfs/dbraw/zinc/39/20/08/283392008.db2.gz LWLQJVIZTOGKTQ-OAHLLOKOSA-N 1 1 321.421 2.780 20 5 DFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccn(C)c(=O)c1 ZINC000140824989 398892525 /nfs/dbraw/zinc/89/25/25/398892525.db2.gz YSZHUYFNPTZQJX-UHFFFAOYSA-N 1 1 315.373 2.704 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000595021590 398893055 /nfs/dbraw/zinc/89/30/55/398893055.db2.gz PXOKMTKTQYCBJG-PWSUYJOCSA-N 1 1 316.361 2.535 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186885042 200027040 /nfs/dbraw/zinc/02/70/40/200027040.db2.gz ZXHWDJXTUWWAJB-WFASDCNBSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000186885042 200027041 /nfs/dbraw/zinc/02/70/41/200027041.db2.gz ZXHWDJXTUWWAJB-WFASDCNBSA-N 1 1 308.378 2.585 20 5 DFBDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000147913646 398913994 /nfs/dbraw/zinc/91/39/94/398913994.db2.gz SZDQUDUFJCFQHU-KBPBESRZSA-N 1 1 319.405 2.896 20 5 DFBDMO Cc1noc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000595287268 398916056 /nfs/dbraw/zinc/91/60/56/398916056.db2.gz BJSVAXJPMNXMCH-UHFFFAOYSA-N 1 1 317.345 2.976 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599071854 398917415 /nfs/dbraw/zinc/91/74/15/398917415.db2.gz UULAXZRYFYXYFA-KGLIPLIRSA-N 1 1 321.421 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000599087216 398919650 /nfs/dbraw/zinc/91/96/50/398919650.db2.gz FUIAKJIDDQHCOR-SNVBAGLBSA-N 1 1 303.318 2.555 20 5 DFBDMO Cn1nccc1C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595307080 398920497 /nfs/dbraw/zinc/92/04/97/398920497.db2.gz UUEFNDKOBZBICZ-UHFFFAOYSA-N 1 1 318.352 2.847 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000595344133 398924876 /nfs/dbraw/zinc/92/48/76/398924876.db2.gz MHEXRSHIGJNMKW-UHFFFAOYSA-N 1 1 304.325 2.768 20 5 DFBDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344378 398925058 /nfs/dbraw/zinc/92/50/58/398925058.db2.gz CZDQPIGFZWPWKR-STQMWFEESA-N 1 1 309.366 2.671 20 5 DFBDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344378 398925059 /nfs/dbraw/zinc/92/50/59/398925059.db2.gz CZDQPIGFZWPWKR-STQMWFEESA-N 1 1 309.366 2.671 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC000599127008 398925490 /nfs/dbraw/zinc/92/54/90/398925490.db2.gz LRBNENLWUCYCJT-LBPRGKRZSA-N 1 1 308.357 2.948 20 5 DFBDMO CCc1nn(C)c(NC[C@@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599126478 398925557 /nfs/dbraw/zinc/92/55/57/398925557.db2.gz HSJCIKBPGUENMF-ZDUSSCGKSA-N 1 1 321.425 2.710 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000055405432 398929788 /nfs/dbraw/zinc/92/97/88/398929788.db2.gz WEPKIIIZWZYBIQ-WDEREUQCSA-N 1 1 311.407 2.507 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CC[N@H+]1C1CCCC1)CCN2 ZINC000599165768 398932401 /nfs/dbraw/zinc/93/24/01/398932401.db2.gz SCFCSXJLDMIBKM-ZDUSSCGKSA-N 1 1 316.405 2.992 20 5 DFBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000471809812 299307189 /nfs/dbraw/zinc/30/71/89/299307189.db2.gz JETAYWNYHOOXRS-RISCZKNCSA-N 1 1 302.330 2.810 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000078022578 398934511 /nfs/dbraw/zinc/93/45/11/398934511.db2.gz FPJHZBNLPXWFGG-QGZVFWFLSA-N 1 1 314.389 2.919 20 5 DFBDMO Cc1noc(C[NH+]2CCC(c3ccc(C)nc3)CC2)c1[N+](=O)[O-] ZINC000595426143 398936072 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DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)Cc1ccccc1 ZINC000595593861 398989848 /nfs/dbraw/zinc/98/98/48/398989848.db2.gz AQSHIORVRGMLMC-KRWDZBQOSA-N 1 1 300.358 2.630 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000194832905 201297027 /nfs/dbraw/zinc/29/70/27/201297027.db2.gz OMGVBZQBFKUSRS-AWEZNQCLSA-N 1 1 319.405 2.611 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608348 398997388 /nfs/dbraw/zinc/99/73/88/398997388.db2.gz OAQRDQHBLURVBL-UONOGXRCSA-N 1 1 315.377 2.578 20 5 DFBDMO C[C@@]1(C2CC2)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595616326 399002318 /nfs/dbraw/zinc/00/23/18/399002318.db2.gz AWRPJFHGIVTPOU-KRWDZBQOSA-N 1 1 320.389 2.865 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599552809 399012477 /nfs/dbraw/zinc/01/24/77/399012477.db2.gz JDCIPLBAZYLFFZ-CABCVRRESA-N 1 1 308.403 2.944 20 5 DFBDMO CC1=CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275422427 212324275 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2.650 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000595749117 399068686 /nfs/dbraw/zinc/06/86/86/399068686.db2.gz DYAQOHZPBARMJP-OAHLLOKOSA-N 1 1 310.781 2.985 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000595752521 399070853 /nfs/dbraw/zinc/07/08/53/399070853.db2.gz MHQBMNFKHVWILO-UHFFFAOYSA-N 1 1 306.362 2.642 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595772789 399079405 /nfs/dbraw/zinc/07/94/05/399079405.db2.gz VDDOIHZUPWKXBM-IUODEOHRSA-N 1 1 308.378 2.727 20 5 DFBDMO CCCNC(=O)C[N@H+](CCC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092192201 193171895 /nfs/dbraw/zinc/17/18/95/193171895.db2.gz XXOBSWKGUYFNJX-UHFFFAOYSA-N 1 1 307.394 2.641 20 5 DFBDMO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092192201 193171896 /nfs/dbraw/zinc/17/18/96/193171896.db2.gz XXOBSWKGUYFNJX-UHFFFAOYSA-N 1 1 307.394 2.641 20 5 DFBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000595780989 399082281 /nfs/dbraw/zinc/08/22/81/399082281.db2.gz NXSQNTOAYTUSEY-MNOVXSKESA-N 1 1 305.334 2.735 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000595780989 399082287 /nfs/dbraw/zinc/08/22/87/399082287.db2.gz NXSQNTOAYTUSEY-MNOVXSKESA-N 1 1 305.334 2.735 20 5 DFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000305161203 284037874 /nfs/dbraw/zinc/03/78/74/284037874.db2.gz RLOMJAKMAKNDQC-ZDUSSCGKSA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305169549 284038039 /nfs/dbraw/zinc/03/80/39/284038039.db2.gz TZRFERJRQUFVQA-CYBMUJFWSA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCOCC2CCC2)CC1 ZINC000419182743 296126969 /nfs/dbraw/zinc/12/69/69/296126969.db2.gz HPSVSFZQILXGNZ-UHFFFAOYSA-N 1 1 319.405 2.534 20 5 DFBDMO CCc1nnc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338349741 284103570 /nfs/dbraw/zinc/10/35/70/284103570.db2.gz HALCCBVQEBNNDN-NSHDSACASA-N 1 1 304.350 2.776 20 5 DFBDMO CCc1nnc([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338349741 284103574 /nfs/dbraw/zinc/10/35/74/284103574.db2.gz HALCCBVQEBNNDN-NSHDSACASA-N 1 1 304.350 2.776 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595830191 399102838 /nfs/dbraw/zinc/10/28/38/399102838.db2.gz DLOKRRJMBBRUQG-KGLIPLIRSA-N 1 1 317.389 2.600 20 5 DFBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595858544 399114699 /nfs/dbraw/zinc/11/46/99/399114699.db2.gz XIJFJNOIDWJHTH-SFESLNEESA-N 1 1 317.389 2.821 20 5 DFBDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c2C1 ZINC000340166082 284153946 /nfs/dbraw/zinc/15/39/46/284153946.db2.gz ZDZUBSVUKKCDRP-UHFFFAOYSA-N 1 1 314.345 2.901 20 5 DFBDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c2C1 ZINC000340166082 284153947 /nfs/dbraw/zinc/15/39/47/284153947.db2.gz ZDZUBSVUKKCDRP-UHFFFAOYSA-N 1 1 314.345 2.901 20 5 DFBDMO COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093443207 193252930 /nfs/dbraw/zinc/25/29/30/193252930.db2.gz CTGGQQRPRNZLJP-TXEJJXNPSA-N 1 1 306.362 2.844 20 5 DFBDMO COc1ccc(OCC[N@@H+](C)CC2=CCSC2)c([N+](=O)[O-])c1 ZINC000595889816 399123838 /nfs/dbraw/zinc/12/38/38/399123838.db2.gz XARKFIIFXWIIRB-UHFFFAOYSA-N 1 1 324.402 2.587 20 5 DFBDMO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595920405 399136934 /nfs/dbraw/zinc/13/69/34/399136934.db2.gz SCODZRWBLLVPHM-ABAIWWIYSA-N 1 1 314.332 2.882 20 5 DFBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595920405 399136936 /nfs/dbraw/zinc/13/69/36/399136936.db2.gz SCODZRWBLLVPHM-ABAIWWIYSA-N 1 1 314.332 2.882 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000264645952 204050690 /nfs/dbraw/zinc/05/06/90/204050690.db2.gz AHAPXVRLYINDAF-AWEZNQCLSA-N 1 1 305.378 2.507 20 5 DFBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596058933 399158464 /nfs/dbraw/zinc/15/84/64/399158464.db2.gz LWBPIFYZUMADEV-MRXNPFEDSA-N 1 1 303.406 2.806 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264945244 204293123 /nfs/dbraw/zinc/29/31/23/204293123.db2.gz IRDIFXUBSXMZRI-LLVKDONJSA-N 1 1 311.407 2.651 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000080648499 399165865 /nfs/dbraw/zinc/16/58/65/399165865.db2.gz FFZXVXAYTQYRLP-YSVLISHTSA-N 1 1 301.390 2.824 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596088107 399168826 /nfs/dbraw/zinc/16/88/26/399168826.db2.gz WQTQLBZKVCZQQD-UHFFFAOYSA-N 1 1 322.409 2.644 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCCC[C@@H]2CCO)c1 ZINC000342029600 284311104 /nfs/dbraw/zinc/31/11/04/284311104.db2.gz GWJGNMGTVFXRGP-CQSZACIVSA-N 1 1 308.378 2.601 20 5 DFBDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596105538 399175298 /nfs/dbraw/zinc/17/52/98/399175298.db2.gz UOVLDOOFNVZVQS-NSHDSACASA-N 1 1 308.382 2.618 20 5 DFBDMO COc1cc(C[N@H+]2CCOCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000614222912 399180077 /nfs/dbraw/zinc/18/00/77/399180077.db2.gz PVFUUYPFVOJKPC-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO Cc1cc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596124051 399181652 /nfs/dbraw/zinc/18/16/52/399181652.db2.gz SWXCUDCTMYNHLH-LBPRGKRZSA-N 1 1 324.450 2.545 20 5 DFBDMO Cc1cc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596124051 399181659 /nfs/dbraw/zinc/18/16/59/399181659.db2.gz SWXCUDCTMYNHLH-LBPRGKRZSA-N 1 1 324.450 2.545 20 5 DFBDMO CCN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCC[N@H+]1CC ZINC000614236739 399184871 /nfs/dbraw/zinc/18/48/71/399184871.db2.gz LILPSTAQMKETQY-MRXNPFEDSA-N 1 1 321.421 2.910 20 5 DFBDMO C[N@@H+](CCCn1ccnc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271690782 209130163 /nfs/dbraw/zinc/13/01/63/209130163.db2.gz LUNHSQFSSVTUMN-UHFFFAOYSA-N 1 1 308.769 2.967 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000266161431 205147984 /nfs/dbraw/zinc/14/79/84/205147984.db2.gz ZSOOVDWSQXTAMI-STQMWFEESA-N 1 1 301.350 2.584 20 5 DFBDMO CN(C[C@H]1CCC[N@H+]1C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420630786 296193946 /nfs/dbraw/zinc/19/39/46/296193946.db2.gz FRNRFBDPWGEJTB-SECBINFHSA-N 1 1 318.299 2.539 20 5 DFBDMO O=[N+]([O-])c1ccc2nccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000601104800 399228080 /nfs/dbraw/zinc/22/80/80/399228080.db2.gz HELIQTWLBLNNLO-STQMWFEESA-N 1 1 312.373 2.604 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601109240 399229799 /nfs/dbraw/zinc/22/97/99/399229799.db2.gz SRPWWLWDHQSXAB-CYBMUJFWSA-N 1 1 314.389 2.707 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601109247 399229947 /nfs/dbraw/zinc/22/99/47/399229947.db2.gz SRPWWLWDHQSXAB-ZDUSSCGKSA-N 1 1 314.389 2.707 20 5 DFBDMO C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C1CCOCC1 ZINC000601130166 399235767 /nfs/dbraw/zinc/23/57/67/399235767.db2.gz QHPUYZNPWXBMEP-LLVKDONJSA-N 1 1 301.346 2.792 20 5 DFBDMO CC1(C)CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[C@@H]1O ZINC000601151373 399242375 /nfs/dbraw/zinc/24/23/75/399242375.db2.gz XZGLTFKTTKBAAC-HNNXBMFYSA-N 1 1 301.346 2.740 20 5 DFBDMO C[C@](CO)([NH2+]Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601150360 399241853 /nfs/dbraw/zinc/24/18/53/399241853.db2.gz WFAXDJOBVORTRM-MRXNPFEDSA-N 1 1 304.321 2.731 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCC[C@@H]3CCO)c2c1 ZINC000601150160 399241866 /nfs/dbraw/zinc/24/18/66/399241866.db2.gz XGOMOBKPGXVREZ-RISCZKNCSA-N 1 1 301.346 2.528 20 5 DFBDMO CCc1ncc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601150630 399241869 /nfs/dbraw/zinc/24/18/69/399241869.db2.gz ZXCDKHWADVUGPM-OAHLLOKOSA-N 1 1 321.402 2.611 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC4(C3)CCOCC4)nc2c1 ZINC000267579608 206156341 /nfs/dbraw/zinc/15/63/41/206156341.db2.gz GDUZJMCUGSQNPO-UHFFFAOYSA-N 1 1 317.345 2.739 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3ccnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000601168090 399246221 /nfs/dbraw/zinc/24/62/21/399246221.db2.gz OKFAYMCPWYRDAU-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO CC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420964881 296218543 /nfs/dbraw/zinc/21/85/43/296218543.db2.gz XKTJGBXCVQFSSZ-OKILXGFUSA-N 1 1 308.378 2.863 20 5 DFBDMO CC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420964881 296218544 /nfs/dbraw/zinc/21/85/44/296218544.db2.gz XKTJGBXCVQFSSZ-OKILXGFUSA-N 1 1 308.378 2.863 20 5 DFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCCO1 ZINC000267596771 206166122 /nfs/dbraw/zinc/16/61/22/206166122.db2.gz KSTSTQNFEJTIQM-LBPRGKRZSA-N 1 1 305.334 2.737 20 5 DFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCCO1 ZINC000267596771 206166123 /nfs/dbraw/zinc/16/61/23/206166123.db2.gz KSTSTQNFEJTIQM-LBPRGKRZSA-N 1 1 305.334 2.737 20 5 DFBDMO CCn1cc([C@H](C)Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000601172338 399246871 /nfs/dbraw/zinc/24/68/71/399246871.db2.gz YFBCLHNNGDPRHP-NSHDSACASA-N 1 1 311.345 2.954 20 5 DFBDMO CC[N@@H+](CCOc1ccccc1C)CCn1ccc([N+](=O)[O-])n1 ZINC000420975493 296219898 /nfs/dbraw/zinc/21/98/98/296219898.db2.gz RCSWLYIIMCTNJV-UHFFFAOYSA-N 1 1 318.377 2.501 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](n4ccnn4)C3)c2c1 ZINC000601179522 399249231 /nfs/dbraw/zinc/24/92/31/399249231.db2.gz WYFPKVSELNAXGP-ZDUSSCGKSA-N 1 1 324.344 2.576 20 5 DFBDMO C[N@H+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1(C)C ZINC000601186620 399250600 /nfs/dbraw/zinc/25/06/00/399250600.db2.gz RXASJPZJHJYMRW-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](O)CC23CCC3)ccc1[N+](=O)[O-] ZINC000420991306 296221623 /nfs/dbraw/zinc/22/16/23/296221623.db2.gz IPBFKZPIKVIQDB-AWEZNQCLSA-N 1 1 320.389 2.873 20 5 DFBDMO C[N@H+]1CC[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC000601185202 399250687 /nfs/dbraw/zinc/25/06/87/399250687.db2.gz RALLLDHQQIHACI-KGLIPLIRSA-N 1 1 312.373 2.531 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c2c(c1)COCO2 ZINC000614600514 399251633 /nfs/dbraw/zinc/25/16/33/399251633.db2.gz LAPCLXGGOJTKPA-NHYWBVRUSA-N 1 1 304.346 2.836 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCO[C@H](CCF)C3)c2c1 ZINC000601202877 399254065 /nfs/dbraw/zinc/25/40/65/399254065.db2.gz KKZQSSQEWYDQKS-GFCCVEGCSA-N 1 1 305.309 2.708 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421093823 296234730 /nfs/dbraw/zinc/23/47/30/296234730.db2.gz JIIFXHYJCPRLRU-CYBMUJFWSA-N 1 1 320.393 2.770 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421093826 296234818 /nfs/dbraw/zinc/23/48/18/296234818.db2.gz JIIFXHYJCPRLRU-ZDUSSCGKSA-N 1 1 320.393 2.770 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280316580 296234384 /nfs/dbraw/zinc/23/43/84/296234384.db2.gz GTMUZUKCMRMBIS-GUYCJALGSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280316580 296234385 /nfs/dbraw/zinc/23/43/85/296234385.db2.gz GTMUZUKCMRMBIS-GUYCJALGSA-N 1 1 320.389 2.926 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F ZINC000601299844 399272858 /nfs/dbraw/zinc/27/28/58/399272858.db2.gz CQWVPTZRHZCQGN-UBJUHAIHSA-N 1 1 322.283 2.566 20 5 DFBDMO CC[C@@H]1[C@@H](C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@H+]1C ZINC000601586189 399304412 /nfs/dbraw/zinc/30/44/12/399304412.db2.gz KIHGKLSLZDULRI-QWHCGFSZSA-N 1 1 305.378 2.880 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)o1 ZINC000609145040 399306176 /nfs/dbraw/zinc/30/61/76/399306176.db2.gz VCKARFRAATVOKZ-NSHDSACASA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)o1 ZINC000609145038 399305895 /nfs/dbraw/zinc/30/58/95/399305895.db2.gz VCKARFRAATVOKZ-LLVKDONJSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)o1 ZINC000609145038 399305898 /nfs/dbraw/zinc/30/58/98/399305898.db2.gz VCKARFRAATVOKZ-LLVKDONJSA-N 1 1 320.324 2.805 20 5 DFBDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609144368 399305999 /nfs/dbraw/zinc/30/59/99/399305999.db2.gz RWGSPTNLYOJDID-LLVKDONJSA-N 1 1 310.325 2.652 20 5 DFBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609144368 399306003 /nfs/dbraw/zinc/30/60/03/399306003.db2.gz RWGSPTNLYOJDID-LLVKDONJSA-N 1 1 310.325 2.652 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)o1 ZINC000609145040 399306174 /nfs/dbraw/zinc/30/61/74/399306174.db2.gz VCKARFRAATVOKZ-NSHDSACASA-N 1 1 320.324 2.805 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609278988 399311450 /nfs/dbraw/zinc/31/14/50/399311450.db2.gz WKHPSPCXRGRZRL-JKSUJKDBSA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000421896173 296279315 /nfs/dbraw/zinc/27/93/15/296279315.db2.gz PGRGNAUIOFXHNB-MRXNPFEDSA-N 1 1 319.405 2.624 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284757444 218165044 /nfs/dbraw/zinc/16/50/44/218165044.db2.gz LXGQQXYSFFOONC-CJNGLKHVSA-N 1 1 306.362 2.747 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000619531609 399358997 /nfs/dbraw/zinc/35/89/97/399358997.db2.gz OQIIRJIMQKGZFM-QGZVFWFLSA-N 1 1 316.357 2.601 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284869878 218214301 /nfs/dbraw/zinc/21/43/01/218214301.db2.gz SLRLUSZLPMXLNA-HOTGVXAUSA-N 1 1 306.362 2.617 20 5 DFBDMO COc1cccc([C@@H](CO)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000610422025 399366530 /nfs/dbraw/zinc/36/65/30/399366530.db2.gz KIPOFXHUVGCXPE-MLGOLLRUSA-N 1 1 316.357 2.988 20 5 DFBDMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000284923784 218237119 /nfs/dbraw/zinc/23/71/19/218237119.db2.gz UVLCQJMKEIIGRO-BHYGNILZSA-N 1 1 320.389 2.611 20 5 DFBDMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000284923784 218237122 /nfs/dbraw/zinc/23/71/22/218237122.db2.gz UVLCQJMKEIIGRO-BHYGNILZSA-N 1 1 320.389 2.611 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1[N+](=O)[O-] ZINC000601969143 399371333 /nfs/dbraw/zinc/37/13/33/399371333.db2.gz JKAOYPNCVWADPM-ZDUSSCGKSA-N 1 1 300.305 2.759 20 5 DFBDMO Cc1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)cc1[N+](=O)[O-] ZINC000601969143 399371337 /nfs/dbraw/zinc/37/13/37/399371337.db2.gz JKAOYPNCVWADPM-ZDUSSCGKSA-N 1 1 300.305 2.759 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105887339 194158476 /nfs/dbraw/zinc/15/84/76/194158476.db2.gz IFSFWYIRZCVGSX-UHFFFAOYSA-N 1 1 318.352 2.843 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CC(C)(C)C ZINC000610476409 399370569 /nfs/dbraw/zinc/37/05/69/399370569.db2.gz PYYYLYYJCSGECH-UHFFFAOYSA-N 1 1 310.394 2.834 20 5 DFBDMO C[C@@H]1C[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000610582604 399382462 /nfs/dbraw/zinc/38/24/62/399382462.db2.gz CSWGZLXXUPYRPL-VXGBXAGGSA-N 1 1 318.377 2.651 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585365 399384054 /nfs/dbraw/zinc/38/40/54/399384054.db2.gz MGNZEPODWQQQIC-DOMZBBRYSA-N 1 1 303.362 2.716 20 5 DFBDMO C[C@@H](CO)[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000285177084 218321151 /nfs/dbraw/zinc/32/11/51/218321151.db2.gz CZYZFHUIXQDBLA-JTQLQIEISA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@@H](CO)[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000285177084 218321152 /nfs/dbraw/zinc/32/11/52/218321152.db2.gz CZYZFHUIXQDBLA-JTQLQIEISA-N 1 1 314.332 2.856 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1 ZINC000285192039 218327556 /nfs/dbraw/zinc/32/75/56/218327556.db2.gz CKEWBEDXXHYXTN-KRWDZBQOSA-N 1 1 300.358 2.803 20 5 DFBDMO CC[C@]1(CO)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285209504 218335148 /nfs/dbraw/zinc/33/51/48/218335148.db2.gz FUEHIBFOFSRKDY-CQSZACIVSA-N 1 1 300.305 2.610 20 5 DFBDMO CC[C@]1(CO)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285209504 218335150 /nfs/dbraw/zinc/33/51/50/218335150.db2.gz FUEHIBFOFSRKDY-CQSZACIVSA-N 1 1 300.305 2.610 20 5 DFBDMO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C[NH3+] ZINC000602021634 399385738 /nfs/dbraw/zinc/38/57/38/399385738.db2.gz QTNQYQQWOOBGJG-JSGCOSHPSA-N 1 1 315.373 2.881 20 5 DFBDMO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285248621 218350797 /nfs/dbraw/zinc/35/07/97/218350797.db2.gz HAPMCJCLELRYHB-UONOGXRCSA-N 1 1 321.421 2.762 20 5 DFBDMO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285248621 218350799 /nfs/dbraw/zinc/35/07/99/218350799.db2.gz HAPMCJCLELRYHB-UONOGXRCSA-N 1 1 321.421 2.762 20 5 DFBDMO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000602023566 399386594 /nfs/dbraw/zinc/38/65/94/399386594.db2.gz XTVCEDMZLUOBFN-OCCSQVGLSA-N 1 1 315.373 2.881 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000610678627 399392098 /nfs/dbraw/zinc/39/20/98/399392098.db2.gz XPTWXEGLPRROKV-BXUZGUMPSA-N 1 1 300.362 2.895 20 5 DFBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000619868436 399396802 /nfs/dbraw/zinc/39/68/02/399396802.db2.gz RAQUQUOKWJSTHE-UHFFFAOYSA-N 1 1 323.418 2.604 20 5 DFBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[N@@H+](C)CC(C)(C)C ZINC000602151947 399401345 /nfs/dbraw/zinc/40/13/45/399401345.db2.gz SUYUZWOVXSJJFW-UHFFFAOYSA-N 1 1 321.421 2.574 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000610785524 399406243 /nfs/dbraw/zinc/40/62/43/399406243.db2.gz ZTZHFDOBCYAOCV-ZBFHGGJFSA-N 1 1 319.405 2.959 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000610782730 399405925 /nfs/dbraw/zinc/40/59/25/399405925.db2.gz RPDIDJVFPGZQLK-UHFFFAOYSA-N 1 1 308.769 2.885 20 5 DFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C ZINC000611084702 399433084 /nfs/dbraw/zinc/43/30/84/399433084.db2.gz LGTHCEQAFKKHDF-SNVBAGLBSA-N 1 1 315.320 2.727 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000611225389 399447425 /nfs/dbraw/zinc/44/74/25/399447425.db2.gz PHZHJUFPTOTZPH-NEPJUHHUSA-N 1 1 318.377 2.651 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000611283560 399457583 /nfs/dbraw/zinc/45/75/83/399457583.db2.gz DVRLTAYWIIWSHG-CYBMUJFWSA-N 1 1 319.405 2.686 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000611283560 399457585 /nfs/dbraw/zinc/45/75/85/399457585.db2.gz DVRLTAYWIIWSHG-CYBMUJFWSA-N 1 1 319.405 2.686 20 5 DFBDMO CC(C)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611285851 399458438 /nfs/dbraw/zinc/45/84/38/399458438.db2.gz DABQOSTZXVXFSZ-GFCCVEGCSA-N 1 1 306.362 2.844 20 5 DFBDMO CCOCC[N@@H+]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1CC ZINC000611290212 399458996 /nfs/dbraw/zinc/45/89/96/399458996.db2.gz YDNFUYQHGVOMBI-LBPRGKRZSA-N 1 1 313.423 2.593 20 5 DFBDMO CCOCC[N@H+]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1CC ZINC000611290212 399458998 /nfs/dbraw/zinc/45/89/98/399458998.db2.gz YDNFUYQHGVOMBI-LBPRGKRZSA-N 1 1 313.423 2.593 20 5 DFBDMO Cn1nccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602510026 399464400 /nfs/dbraw/zinc/46/44/00/399464400.db2.gz IKTOIIXKFKHLOW-UHFFFAOYSA-N 1 1 314.267 2.637 20 5 DFBDMO CCC[N@@H+](CC)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602562512 399476876 /nfs/dbraw/zinc/47/68/76/399476876.db2.gz CFLRDEANKNTOJD-UHFFFAOYSA-N 1 1 306.366 2.558 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502303 399483399 /nfs/dbraw/zinc/48/33/99/399483399.db2.gz RAXUMVOURRWGIO-YPMHNXCESA-N 1 1 323.368 2.912 20 5 DFBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1(O)CCC1 ZINC000602613810 399490842 /nfs/dbraw/zinc/49/08/42/399490842.db2.gz QFHGBUQFWOQCQK-UHFFFAOYSA-N 1 1 318.295 2.960 20 5 DFBDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602626059 399495190 /nfs/dbraw/zinc/49/51/90/399495190.db2.gz XLODZWNNZLMDOJ-CYBMUJFWSA-N 1 1 318.295 2.960 20 5 DFBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602636463 399498631 /nfs/dbraw/zinc/49/86/31/399498631.db2.gz HNIBMIQZXPKRBS-CYBMUJFWSA-N 1 1 302.378 2.700 20 5 DFBDMO Cc1ccc([C@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)c(C)c1 ZINC000602646503 399501497 /nfs/dbraw/zinc/50/14/97/399501497.db2.gz ADODAJUIQBXZBT-AWEZNQCLSA-N 1 1 314.389 2.935 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)nc2c1 ZINC000602653162 399504229 /nfs/dbraw/zinc/50/42/29/399504229.db2.gz NALIWGLFRRIEQZ-HIFRSBDPSA-N 1 1 317.345 2.879 20 5 DFBDMO COc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000292846727 532959320 /nfs/dbraw/zinc/95/93/20/532959320.db2.gz QYQRRQAXAPLQSK-MRXNPFEDSA-N 1 1 323.368 2.665 20 5 DFBDMO COc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000292846726 532959442 /nfs/dbraw/zinc/95/94/42/532959442.db2.gz QYQRRQAXAPLQSK-INIZCTEOSA-N 1 1 323.368 2.665 20 5 DFBDMO C[C@@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000602708449 399531799 /nfs/dbraw/zinc/53/17/99/399531799.db2.gz HHFOOVGUBHUHGK-SECBINFHSA-N 1 1 318.295 2.959 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269381781 285091149 /nfs/dbraw/zinc/09/11/49/285091149.db2.gz POCZAKVXWKHWMW-UHFFFAOYSA-N 1 1 307.741 2.750 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301368070 285096662 /nfs/dbraw/zinc/09/66/62/285096662.db2.gz RRNKQGQAMLWMNM-IACUBPJLSA-N 1 1 305.353 2.654 20 5 DFBDMO CC(=O)NCC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000347628125 285100951 /nfs/dbraw/zinc/10/09/51/285100951.db2.gz HQGWYBPWWOTOAT-UKRRQHHQSA-N 1 1 319.405 2.894 20 5 DFBDMO COc1ccc(-c2ccc(C[NH2+]C3(C)COC3)o2)c([N+](=O)[O-])c1 ZINC000602738239 399548682 /nfs/dbraw/zinc/54/86/82/399548682.db2.gz BUEBWZZLPIIKGC-UHFFFAOYSA-N 1 1 318.329 2.742 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000602738046 399549247 /nfs/dbraw/zinc/54/92/47/399549247.db2.gz IFUURRHYWHSYCV-NWDGAFQWSA-N 1 1 318.295 2.506 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000602738046 399549251 /nfs/dbraw/zinc/54/92/51/399549251.db2.gz IFUURRHYWHSYCV-NWDGAFQWSA-N 1 1 318.295 2.506 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602739179 399550157 /nfs/dbraw/zinc/55/01/57/399550157.db2.gz WPEBBSIBUAVMQE-WCQYABFASA-N 1 1 318.295 2.506 20 5 DFBDMO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000423070632 296374942 /nfs/dbraw/zinc/37/49/42/296374942.db2.gz GMVGESSRWYYWDW-GFCCVEGCSA-N 1 1 314.389 2.916 20 5 DFBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000286522125 219035329 /nfs/dbraw/zinc/03/53/29/219035329.db2.gz QTYCGDHIAWJIDS-LBPRGKRZSA-N 1 1 311.407 2.537 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000602767611 399564146 /nfs/dbraw/zinc/56/41/46/399564146.db2.gz VCIUCKGLXNIWHJ-UHFFFAOYSA-N 1 1 318.352 2.903 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccccc2[C@H]1C ZINC000602777566 399569287 /nfs/dbraw/zinc/56/92/87/399569287.db2.gz XAFOSBBEYIIPDO-GFCCVEGCSA-N 1 1 300.362 2.719 20 5 DFBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000602779799 399570219 /nfs/dbraw/zinc/57/02/19/399570219.db2.gz RJGGDZWCCSAIMI-LBPRGKRZSA-N 1 1 318.377 2.888 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285249485 285156908 /nfs/dbraw/zinc/15/69/08/285156908.db2.gz CHMSLMHEZYSCHH-JKSUJKDBSA-N 1 1 316.361 2.579 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285249485 285156909 /nfs/dbraw/zinc/15/69/09/285156909.db2.gz CHMSLMHEZYSCHH-JKSUJKDBSA-N 1 1 316.361 2.579 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000602783440 399571673 /nfs/dbraw/zinc/57/16/73/399571673.db2.gz PGMHBRZJUUKGCJ-OAHLLOKOSA-N 1 1 322.409 2.523 20 5 DFBDMO NC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000423181720 296389284 /nfs/dbraw/zinc/38/92/84/296389284.db2.gz PIVDCUICBSSSEW-UONOGXRCSA-N 1 1 321.425 2.526 20 5 DFBDMO CCSCC[C@@H](C)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602794308 399577294 /nfs/dbraw/zinc/57/72/94/399577294.db2.gz VIGCIDTWBJQBPR-LLVKDONJSA-N 1 1 300.428 2.563 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000267046712 285167957 /nfs/dbraw/zinc/16/79/57/285167957.db2.gz FHNFUSWTAASAMO-CYBMUJFWSA-N 1 1 320.780 2.934 20 5 DFBDMO COc1ccc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157397635 197184846 /nfs/dbraw/zinc/18/48/46/197184846.db2.gz GZLRZKDEVZSQJF-INIZCTEOSA-N 1 1 316.361 2.637 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000192503282 285177262 /nfs/dbraw/zinc/17/72/62/285177262.db2.gz PYMZOWYOQREYMF-PWSUYJOCSA-N 1 1 308.407 2.504 20 5 DFBDMO CCCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC000602841031 399597754 /nfs/dbraw/zinc/59/77/54/399597754.db2.gz PREIREASNVBTRN-HUUCEWRRSA-N 1 1 324.425 2.888 20 5 DFBDMO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000347905088 285235549 /nfs/dbraw/zinc/23/55/49/285235549.db2.gz YYZZHDGNCYPXBR-LBPRGKRZSA-N 1 1 323.780 2.557 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602890951 399617557 /nfs/dbraw/zinc/61/75/57/399617557.db2.gz DPBFNVNCKXIWJH-CQSZACIVSA-N 1 1 319.340 2.553 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271612529 209059766 /nfs/dbraw/zinc/05/97/66/209059766.db2.gz CRDQOCGKPOOYJA-QWHCGFSZSA-N 1 1 322.409 2.685 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCF)CC1 ZINC000602948878 399635973 /nfs/dbraw/zinc/63/59/73/399635973.db2.gz FPUFKFIYSHXWBC-GFCCVEGCSA-N 1 1 323.368 2.993 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCF)CC1 ZINC000602948879 399636259 /nfs/dbraw/zinc/63/62/59/399636259.db2.gz FPUFKFIYSHXWBC-LBPRGKRZSA-N 1 1 323.368 2.993 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997772 399654684 /nfs/dbraw/zinc/65/46/84/399654684.db2.gz QMPQIPJJCSCKMO-PMPSAXMXSA-N 1 1 320.389 2.729 20 5 DFBDMO CC[C@@]1(O)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602982236 399649034 /nfs/dbraw/zinc/64/90/34/399649034.db2.gz PJUGQBJYWFGCLA-MRXNPFEDSA-N 1 1 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ZINC000366627100 131021858 /nfs/dbraw/zinc/02/18/58/131021858.db2.gz LTQPVERTKILZKN-AWEZNQCLSA-N 1 1 320.389 2.852 20 5 DFBDMO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000603848852 399808289 /nfs/dbraw/zinc/80/82/89/399808289.db2.gz UWHHHJGNNKCBNO-LLVKDONJSA-N 1 1 318.402 2.910 20 5 DFBDMO O=[N+]([O-])c1ncccc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309782911 543065712 /nfs/dbraw/zinc/06/57/12/543065712.db2.gz FLABIDBVDPKGPP-OAHLLOKOSA-N 1 1 312.373 2.924 20 5 DFBDMO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000052160036 425884309 /nfs/dbraw/zinc/88/43/09/425884309.db2.gz IBCFYDRSKWGYHM-QWRGUYRKSA-N 1 1 323.422 2.836 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000072827153 145191386 /nfs/dbraw/zinc/19/13/86/145191386.db2.gz LFSZTERGVQXUCV-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000072827153 145191390 /nfs/dbraw/zinc/19/13/90/145191390.db2.gz 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CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246416350 146137613 /nfs/dbraw/zinc/13/76/13/146137613.db2.gz BONXCMPVWRVVLF-DZGCQCFKSA-N 1 1 321.421 2.766 20 5 DFBDMO C[NH2+]C[C@@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000261872418 146292789 /nfs/dbraw/zinc/29/27/89/146292789.db2.gz LMHOJNLEALLNNF-ZDUSSCGKSA-N 1 1 314.389 2.887 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000354383576 147015605 /nfs/dbraw/zinc/01/56/05/147015605.db2.gz AOFSBUGZYORIKW-HIFRSBDPSA-N 1 1 319.405 2.848 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000354379815 147015956 /nfs/dbraw/zinc/01/59/56/147015956.db2.gz COPMKGNMFGCAOC-NWDGAFQWSA-N 1 1 323.368 2.679 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000354414918 147028316 /nfs/dbraw/zinc/02/83/16/147028316.db2.gz ZEZIFKQVDJAGMQ-QWRGUYRKSA-N 1 1 311.407 2.601 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000354416759 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158168615 /nfs/dbraw/zinc/16/86/15/158168615.db2.gz KHIXFHZSHSNOIQ-INIZCTEOSA-N 1 1 319.405 2.534 20 5 DFBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248370856 158169715 /nfs/dbraw/zinc/16/97/15/158169715.db2.gz YAJIBZLSRJLNHD-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO CC[N@@H+](CCC1CC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000355051595 158261080 /nfs/dbraw/zinc/26/10/80/158261080.db2.gz CBEJMTSHYJKIRC-UHFFFAOYSA-N 1 1 317.389 2.606 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)C1CCC1 ZINC000357045015 158355314 /nfs/dbraw/zinc/35/53/14/158355314.db2.gz TXCUYQPDNNFEJC-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1sccc1C ZINC000430211672 296777837 /nfs/dbraw/zinc/77/78/37/296777837.db2.gz JTEYQSFFICRVFS-CYBMUJFWSA-N 1 1 322.386 2.797 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280638117 287152633 /nfs/dbraw/zinc/15/26/33/287152633.db2.gz XYTOTLYQOYDGIE-WWGRRREGSA-N 1 1 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CC[N@@H+](C[C@@H](C)OC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000291327752 222315830 /nfs/dbraw/zinc/31/58/30/222315830.db2.gz VJGBOQZDDXKRRN-DGCLKSJQSA-N 1 1 323.393 2.587 20 5 DFBDMO Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)c(N2CCCC2)[nH+]1 ZINC000302051631 230064379 /nfs/dbraw/zinc/06/43/79/230064379.db2.gz OFMQXVAHTSDRCY-UHFFFAOYSA-N 1 1 313.361 2.906 20 5 DFBDMO COc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000056522010 425895450 /nfs/dbraw/zinc/89/54/50/425895450.db2.gz ACPQJTZCKTYLEU-UHFFFAOYSA-N 1 1 321.421 2.767 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066532395 425904547 /nfs/dbraw/zinc/90/45/47/425904547.db2.gz NUYBQTQYWAFHAT-GUTXKFCHSA-N 1 1 308.378 2.597 20 5 DFBDMO CC[N@@H+](CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000102573591 425921989 /nfs/dbraw/zinc/92/19/89/425921989.db2.gz FINNPCORNJKYLR-UHFFFAOYSA-N 1 1 308.382 2.755 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000009997905 425696991 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Cc1ccccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195506177 268136126 /nfs/dbraw/zinc/13/61/26/268136126.db2.gz BTORYJWSPZJBGX-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H]1C ZINC000248368040 268165887 /nfs/dbraw/zinc/16/58/87/268165887.db2.gz USXBKUXMPMUUFF-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO CC[N@H+](CCOC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270790977 268217738 /nfs/dbraw/zinc/21/77/38/268217738.db2.gz RKIIPKLKPCBZAW-NSHDSACASA-N 1 1 320.349 2.674 20 5 DFBDMO CC[N@@H+](CCOC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270790977 268217740 /nfs/dbraw/zinc/21/77/40/268217740.db2.gz RKIIPKLKPCBZAW-NSHDSACASA-N 1 1 320.349 2.674 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000296260969 268301311 /nfs/dbraw/zinc/30/13/11/268301311.db2.gz YHMKBMKEYDRVEK-OAHLLOKOSA-N 1 1 308.378 2.850 20 5 DFBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000125755497 425989125 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DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000113267879 426110260 /nfs/dbraw/zinc/11/02/60/426110260.db2.gz USRCIZFKXWJAMT-GOEBONIOSA-N 1 1 319.405 2.532 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000077320812 426127731 /nfs/dbraw/zinc/12/77/31/426127731.db2.gz UADJSEJESNHRTI-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000077320812 426127732 /nfs/dbraw/zinc/12/77/32/426127732.db2.gz UADJSEJESNHRTI-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO COCCC[N@@H+](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166771384 426128674 /nfs/dbraw/zinc/12/86/74/426128674.db2.gz KFHYRXBMUVQESD-AWEZNQCLSA-N 1 1 309.410 2.522 20 5 DFBDMO CC[C@@H](NCC1([NH+](C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000168327322 426134430 /nfs/dbraw/zinc/13/44/30/426134430.db2.gz FIZWWSMZHHCVHZ-MRXNPFEDSA-N 1 1 321.421 2.746 20 5 DFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000114458726 426135712 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DFBDMO COc1ccc(C[N@@H+](C)CCc2ccncc2)cc1[N+](=O)[O-] ZINC000171040941 426165777 /nfs/dbraw/zinc/16/57/77/426165777.db2.gz HGTNSMMOMSEUTC-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)C(C)C)c([N+](=O)[O-])c1 ZINC000171057194 426166408 /nfs/dbraw/zinc/16/64/08/426166408.db2.gz PCWLGQUZMIXURF-UHFFFAOYSA-N 1 1 309.366 2.662 20 5 DFBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171139489 426172428 /nfs/dbraw/zinc/17/24/28/426172428.db2.gz LGUCAXQJAUEBQD-UHFFFAOYSA-N 1 1 321.402 2.880 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319849 426187611 /nfs/dbraw/zinc/18/76/11/426187611.db2.gz RGLQYIKDZKXXSJ-JSGCOSHPSA-N 1 1 300.362 2.879 20 5 DFBDMO CSC[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000135431994 426218059 /nfs/dbraw/zinc/21/80/59/426218059.db2.gz WLNAWBYSPWDAEQ-ZDUSSCGKSA-N 1 1 324.402 2.789 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000171952514 426219561 /nfs/dbraw/zinc/21/95/61/426219561.db2.gz XHYOEQSIRMOZIW-GFCCVEGCSA-N 1 1 323.393 2.910 20 5 DFBDMO CC1(C)[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000172951386 426232564 /nfs/dbraw/zinc/23/25/64/426232564.db2.gz PEAJTGDCLOBOFT-PHIMTYICSA-N 1 1 323.780 2.775 20 5 DFBDMO CC1(C)[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000172951386 426232567 /nfs/dbraw/zinc/23/25/67/426232567.db2.gz PEAJTGDCLOBOFT-PHIMTYICSA-N 1 1 323.780 2.775 20 5 DFBDMO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118830790 426247258 /nfs/dbraw/zinc/24/72/58/426247258.db2.gz RFSSUZZSLIAWKE-AWEZNQCLSA-N 1 1 319.405 2.846 20 5 DFBDMO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118830790 426247261 /nfs/dbraw/zinc/24/72/61/426247261.db2.gz RFSSUZZSLIAWKE-AWEZNQCLSA-N 1 1 319.405 2.846 20 5 DFBDMO CC(C)[N@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000339113460 268756118 /nfs/dbraw/zinc/75/61/18/268756118.db2.gz ANXPJEHBALPIHO-NSHDSACASA-N 1 1 313.785 2.673 20 5 DFBDMO C[N@@H+](CCC1CC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135249363 426211342 /nfs/dbraw/zinc/21/13/42/426211342.db2.gz KSIJWWYDTDXAEZ-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO CC(C)[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000117347556 426212835 /nfs/dbraw/zinc/21/28/35/426212835.db2.gz FNYABQNAYTYCKG-DOTOQJQBSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCC2CC2)cccc1[N+](=O)[O-] ZINC000135303711 426213162 /nfs/dbraw/zinc/21/31/62/426213162.db2.gz ADWUREDIWUDKCE-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000119474264 426291270 /nfs/dbraw/zinc/29/12/70/426291270.db2.gz VXJQMTSQWKGSAM-AWEZNQCLSA-N 1 1 319.405 2.611 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175334948 426297743 /nfs/dbraw/zinc/29/77/43/426297743.db2.gz WWEGTSUCKIROSL-CYBMUJFWSA-N 1 1 322.409 2.687 20 5 DFBDMO CC(C)(C)OC(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088608012 426277449 /nfs/dbraw/zinc/27/74/49/426277449.db2.gz JKPJETSNKRSJMK-UHFFFAOYSA-N 1 1 306.362 2.685 20 5 DFBDMO CC(C)(C)OC(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088608012 426277453 /nfs/dbraw/zinc/27/74/53/426277453.db2.gz JKPJETSNKRSJMK-UHFFFAOYSA-N 1 1 306.362 2.685 20 5 DFBDMO CC1CCC(O)(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088616532 426278842 /nfs/dbraw/zinc/27/88/42/426278842.db2.gz WHXFWECTSOUEPY-UHFFFAOYSA-N 1 1 304.390 2.894 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000122927554 426403815 /nfs/dbraw/zinc/40/38/15/426403815.db2.gz PVZXBEPYVJXDKA-TXEJJXNPSA-N 1 1 319.361 2.766 20 5 DFBDMO CC(C)C[N@H+](CC(N)=O)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092011607 426346258 /nfs/dbraw/zinc/34/62/58/426346258.db2.gz XMHDGPQQFUMLFV-UHFFFAOYSA-N 1 1 307.394 2.662 20 5 DFBDMO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092011607 426346260 /nfs/dbraw/zinc/34/62/60/426346260.db2.gz XMHDGPQQFUMLFV-UHFFFAOYSA-N 1 1 307.394 2.662 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000093808902 426357247 /nfs/dbraw/zinc/35/72/47/426357247.db2.gz ALFVHSVTUYQKIK-CYBMUJFWSA-N 1 1 319.405 2.806 20 5 DFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1Cl ZINC000176208975 426361165 /nfs/dbraw/zinc/36/11/65/426361165.db2.gz PDGCIHVPSNANTH-UHFFFAOYSA-N 1 1 308.769 2.967 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176264853 426365784 /nfs/dbraw/zinc/36/57/84/426365784.db2.gz RYAZVBAOTPOGGC-ZDUSSCGKSA-N 1 1 320.393 2.851 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153862302 426410902 /nfs/dbraw/zinc/41/09/02/426410902.db2.gz MUFBHORROXOTES-LLVKDONJSA-N 1 1 312.801 2.811 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153901628 426412435 /nfs/dbraw/zinc/41/24/35/426412435.db2.gz AFOLAZREOJVJFS-INIZCTEOSA-N 1 1 306.362 2.606 20 5 DFBDMO CCOc1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000123275134 426423379 /nfs/dbraw/zinc/42/33/79/426423379.db2.gz HMPKWJHFVBNHMB-VXGBXAGGSA-N 1 1 321.377 2.805 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CCC2)C1 ZINC000123267160 426424015 /nfs/dbraw/zinc/42/40/15/426424015.db2.gz GRYKCFPJANIRBT-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(CCC2)C1 ZINC000123267160 426424017 /nfs/dbraw/zinc/42/40/17/426424017.db2.gz GRYKCFPJANIRBT-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123414847 426431505 /nfs/dbraw/zinc/43/15/05/426431505.db2.gz QWOVLWLLEPVBGF-OKZVOGLASA-N 1 1 317.389 2.549 20 5 DFBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000124115318 426470100 /nfs/dbraw/zinc/47/01/00/426470100.db2.gz UDHKBQFOPKIFEI-NSHDSACASA-N 1 1 317.349 2.558 20 5 DFBDMO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101552811 426484676 /nfs/dbraw/zinc/48/46/76/426484676.db2.gz QLMCGONDJRUYRZ-DZGCQCFKSA-N 1 1 319.405 2.892 20 5 DFBDMO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101552811 426484677 /nfs/dbraw/zinc/48/46/77/426484677.db2.gz QLMCGONDJRUYRZ-DZGCQCFKSA-N 1 1 319.405 2.892 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000288409497 426520196 /nfs/dbraw/zinc/52/01/96/426520196.db2.gz LLHKUGWXUDJQLP-LBPRGKRZSA-N 1 1 316.361 2.612 20 5 DFBDMO Cc1ccc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000280256317 426531584 /nfs/dbraw/zinc/53/15/84/426531584.db2.gz CELYVZKWPBCKET-HNNXBMFYSA-N 1 1 314.389 2.898 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H]1C ZINC000177869978 426533036 /nfs/dbraw/zinc/53/30/36/426533036.db2.gz XOXULYQGNWYATA-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186483124 426535653 /nfs/dbraw/zinc/53/56/53/426535653.db2.gz KTGHIWXWRQSODO-UHFFFAOYSA-N 1 1 308.403 2.693 20 5 DFBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000264414454 426550300 /nfs/dbraw/zinc/55/03/00/426550300.db2.gz MHENABHSKOCNAX-GFCCVEGCSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000264414454 426550304 /nfs/dbraw/zinc/55/03/04/426550304.db2.gz MHENABHSKOCNAX-GFCCVEGCSA-N 1 1 323.780 2.559 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000177993878 426552143 /nfs/dbraw/zinc/55/21/43/426552143.db2.gz BWFNIHBCTQLFRY-CZUORRHYSA-N 1 1 308.353 2.861 20 5 DFBDMO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000264436652 426552928 /nfs/dbraw/zinc/55/29/28/426552928.db2.gz YLAOFPXGEAODDE-CQSZACIVSA-N 1 1 319.405 2.722 20 5 DFBDMO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000264436652 426552934 /nfs/dbraw/zinc/55/29/34/426552934.db2.gz YLAOFPXGEAODDE-CQSZACIVSA-N 1 1 319.405 2.722 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000280341474 426553426 /nfs/dbraw/zinc/55/34/26/426553426.db2.gz SBZGBEAGBQCVQN-QGZVFWFLSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000280341474 426553428 /nfs/dbraw/zinc/55/34/28/426553428.db2.gz SBZGBEAGBQCVQN-QGZVFWFLSA-N 1 1 320.389 2.673 20 5 DFBDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000264147541 426504135 /nfs/dbraw/zinc/50/41/35/426504135.db2.gz ZKGMYXWYABJOBF-AWEZNQCLSA-N 1 1 316.361 2.674 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000264147541 426504141 /nfs/dbraw/zinc/50/41/41/426504141.db2.gz ZKGMYXWYABJOBF-AWEZNQCLSA-N 1 1 316.361 2.674 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000178183180 426583299 /nfs/dbraw/zinc/58/32/99/426583299.db2.gz GHBYUTNLXUSHCD-UHFFFAOYSA-N 1 1 318.402 2.830 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCc3sccc3C2)n1 ZINC000178183180 426583302 /nfs/dbraw/zinc/58/33/02/426583302.db2.gz GHBYUTNLXUSHCD-UHFFFAOYSA-N 1 1 318.402 2.830 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280638111 426621743 /nfs/dbraw/zinc/62/17/43/426621743.db2.gz XYTOTLYQOYDGIE-DVOMOZLQSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280638111 426621747 /nfs/dbraw/zinc/62/17/47/426621747.db2.gz XYTOTLYQOYDGIE-DVOMOZLQSA-N 1 1 306.362 2.536 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280593785 426608781 /nfs/dbraw/zinc/60/87/81/426608781.db2.gz UNBBRRYXHCOCCA-GRDNDAEWSA-N 1 1 320.389 2.844 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280593785 426608784 /nfs/dbraw/zinc/60/87/84/426608784.db2.gz UNBBRRYXHCOCCA-GRDNDAEWSA-N 1 1 320.389 2.844 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000280601623 426611571 /nfs/dbraw/zinc/61/15/71/426611571.db2.gz YGZGPIJFOALAPR-VBQJREDUSA-N 1 1 320.389 2.672 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226789271 426621912 /nfs/dbraw/zinc/62/19/12/426621912.db2.gz WUFRMHCCIVORPL-JTQLQIEISA-N 1 1 313.785 2.708 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000280621213 426617910 /nfs/dbraw/zinc/61/79/10/426617910.db2.gz ZXQQFASNIQKWJH-CQSZACIVSA-N 1 1 320.389 2.673 20 5 DFBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)c(Cl)c1 ZINC000226230298 426618874 /nfs/dbraw/zinc/61/88/74/426618874.db2.gz XTTZHEBBRGTPEP-UHFFFAOYSA-N 1 1 301.799 2.709 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCCO)Cc1ccccn1 ZINC000289386203 426643114 /nfs/dbraw/zinc/64/31/14/426643114.db2.gz DFNHBSKTLZXKMZ-UHFFFAOYSA-N 1 1 315.373 2.683 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000289386203 426643121 /nfs/dbraw/zinc/64/31/21/426643121.db2.gz DFNHBSKTLZXKMZ-UHFFFAOYSA-N 1 1 315.373 2.683 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273356636 426650994 /nfs/dbraw/zinc/65/09/94/426650994.db2.gz DPXDXCQEPXGQIL-LBPRGKRZSA-N 1 1 324.356 2.682 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000178564218 426654678 /nfs/dbraw/zinc/65/46/78/426654678.db2.gz GZCUVTOBVLPYBK-AAEUAGOBSA-N 1 1 318.295 2.903 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000178564218 426654683 /nfs/dbraw/zinc/65/46/83/426654683.db2.gz GZCUVTOBVLPYBK-AAEUAGOBSA-N 1 1 318.295 2.903 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000289643797 426671104 /nfs/dbraw/zinc/67/11/04/426671104.db2.gz HXBGYYKNQMXLRV-GFCCVEGCSA-N 1 1 308.382 2.753 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273487922 426673634 /nfs/dbraw/zinc/67/36/34/426673634.db2.gz RSNALWKWDPUZCT-SNVBAGLBSA-N 1 1 312.345 2.586 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC=C(C)C2)cccc1[N+](=O)[O-] ZINC000280904793 426683081 /nfs/dbraw/zinc/68/30/81/426683081.db2.gz RMLSWFMGEKBVEV-CYBMUJFWSA-N 1 1 303.362 2.882 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC=C(C)C2)cccc1[N+](=O)[O-] ZINC000280904793 426683086 /nfs/dbraw/zinc/68/30/86/426683086.db2.gz RMLSWFMGEKBVEV-CYBMUJFWSA-N 1 1 303.362 2.882 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000265925991 426711313 /nfs/dbraw/zinc/71/13/13/426711313.db2.gz ZGELWMVPWXTFMZ-ZDUSSCGKSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000265925991 426711316 /nfs/dbraw/zinc/71/13/16/426711316.db2.gz ZGELWMVPWXTFMZ-ZDUSSCGKSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273949442 426715022 /nfs/dbraw/zinc/71/50/22/426715022.db2.gz DVBOIAZTQJNKQS-UHFFFAOYSA-N 1 1 317.393 2.639 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000245940621 426785797 /nfs/dbraw/zinc/78/57/97/426785797.db2.gz QWDUNKJEOMBGCC-VXGBXAGGSA-N 1 1 306.362 2.939 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000266136105 426723770 /nfs/dbraw/zinc/72/37/70/426723770.db2.gz FNQPOIYFSAALEF-INIZCTEOSA-N 1 1 320.437 2.587 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000188117906 426724643 /nfs/dbraw/zinc/72/46/43/426724643.db2.gz VZTQYAFVFNLAOR-IUODEOHRSA-N 1 1 306.362 2.534 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc([N+](=O)[O-])c1C ZINC000245432000 426736951 /nfs/dbraw/zinc/73/69/51/426736951.db2.gz OKRUTAYZFHTYCP-CVEARBPZSA-N 1 1 303.406 2.962 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CCOCC1 ZINC000179628497 426808113 /nfs/dbraw/zinc/80/81/13/426808113.db2.gz MPEXKSSYYKKKJP-UHFFFAOYSA-N 1 1 308.378 2.852 20 5 DFBDMO CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246230320 426812114 /nfs/dbraw/zinc/81/21/14/426812114.db2.gz MMELFLXMHSJXQN-OLZOCXBDSA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000266923832 426797015 /nfs/dbraw/zinc/79/70/15/426797015.db2.gz JNVGKHKCRMPXRB-ZDUSSCGKSA-N 1 1 320.780 2.934 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267280928 426861997 /nfs/dbraw/zinc/86/19/97/426861997.db2.gz OUQMYMZNIAHNMC-GJZGRUSLSA-N 1 1 317.389 2.860 20 5 DFBDMO Cc1c(C(=O)Nc2c[nH+]ccc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000337633321 426890831 /nfs/dbraw/zinc/89/08/31/426890831.db2.gz OJXQJUJLDRUVLN-UHFFFAOYSA-N 1 1 323.312 2.736 20 5 DFBDMO Cc1ccc(C(=O)Nc2c[nH+]ccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000337638026 426893704 /nfs/dbraw/zinc/89/37/04/426893704.db2.gz RNDPPGUQEGAQLX-UHFFFAOYSA-N 1 1 323.312 2.736 20 5 DFBDMO C[N@@H+](CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000316561446 426948444 /nfs/dbraw/zinc/94/84/44/426948444.db2.gz JPXJUVULRALMNG-UHFFFAOYSA-N 1 1 303.366 2.757 20 5 DFBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373568 426993940 /nfs/dbraw/zinc/99/39/40/426993940.db2.gz JUGNIDLZGYHCNZ-RBSFLKMASA-N 1 1 322.405 2.845 20 5 DFBDMO COc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000268216784 426953183 /nfs/dbraw/zinc/95/31/83/426953183.db2.gz RMBPOXPPCDBELI-LLVKDONJSA-N 1 1 311.357 2.521 20 5 DFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291710454 426958763 /nfs/dbraw/zinc/95/87/63/426958763.db2.gz IOATYYJWVPQNHU-ZDUSSCGKSA-N 1 1 309.322 2.502 20 5 DFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291710454 426958769 /nfs/dbraw/zinc/95/87/69/426958769.db2.gz IOATYYJWVPQNHU-ZDUSSCGKSA-N 1 1 309.322 2.502 20 5 DFBDMO Cc1nccn1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283232971 426982692 /nfs/dbraw/zinc/98/26/92/426982692.db2.gz UHDNAEOEDCJLSP-UHFFFAOYSA-N 1 1 306.341 2.761 20 5 DFBDMO C[C@@H]1SCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000283271974 426986220 /nfs/dbraw/zinc/98/62/20/426986220.db2.gz LILMUYGOZNISNF-RYUDHWBXSA-N 1 1 323.418 2.749 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)CC(F)(F)F)C1CC1 ZINC000189731951 426935426 /nfs/dbraw/zinc/93/54/26/426935426.db2.gz CRGHUDSOJXJKIU-GFCCVEGCSA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181914822 426993615 /nfs/dbraw/zinc/99/36/15/426993615.db2.gz XKFHCYMATWMHBJ-ILXRZTDVSA-N 1 1 320.389 2.599 20 5 DFBDMO CC[C@H](C)C[N@@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248467978 427003663 /nfs/dbraw/zinc/00/36/63/427003663.db2.gz TYIDGQHLVAOKDO-UONOGXRCSA-N 1 1 310.394 2.703 20 5 DFBDMO CC(C)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248474841 427004655 /nfs/dbraw/zinc/00/46/55/427004655.db2.gz XKZKVBRPLVYRRU-HUUCEWRRSA-N 1 1 322.405 2.845 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337871000 427011087 /nfs/dbraw/zinc/01/10/87/427011087.db2.gz NRBLGOSLSWYOEV-HUUCEWRRSA-N 1 1 319.405 2.710 20 5 DFBDMO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000248571053 427014916 /nfs/dbraw/zinc/01/49/16/427014916.db2.gz MBBXAHKKFVPURB-GXTWGEPZSA-N 1 1 320.393 2.850 20 5 DFBDMO CC[N@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000295727653 427015045 /nfs/dbraw/zinc/01/50/45/427015045.db2.gz VKHVBKGKSNWUAV-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO COc1coc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1=O ZINC000292047204 427070381 /nfs/dbraw/zinc/07/03/81/427070381.db2.gz BGIMZLFNSRXYFQ-UHFFFAOYSA-N 1 1 318.329 2.582 20 5 DFBDMO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292053458 427071630 /nfs/dbraw/zinc/07/16/30/427071630.db2.gz BCIAYZUFHNQMNQ-AWEZNQCLSA-N 1 1 303.406 2.901 20 5 DFBDMO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000296244372 427120609 /nfs/dbraw/zinc/12/06/09/427120609.db2.gz KQEHOIXOWWILSU-GFCCVEGCSA-N 1 1 318.377 2.543 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCSC[C@@H](C)C1 ZINC000190487852 427124539 /nfs/dbraw/zinc/12/45/39/427124539.db2.gz LHTHNACXKFIZTI-RYUDHWBXSA-N 1 1 323.418 2.607 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCSC[C@@H](C)C1 ZINC000190487852 427124546 /nfs/dbraw/zinc/12/45/46/427124546.db2.gz LHTHNACXKFIZTI-RYUDHWBXSA-N 1 1 323.418 2.607 20 5 DFBDMO CC[NH+]1CCN(C[C@H](C)CNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000277204148 427138281 /nfs/dbraw/zinc/13/82/81/427138281.db2.gz YDTITHGIUOEWJU-CQSZACIVSA-N 1 1 320.437 2.589 20 5 DFBDMO CCOc1cc(NCC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000174901748 271141145 /nfs/dbraw/zinc/14/11/45/271141145.db2.gz FDFRVBNKBKYWSQ-UHFFFAOYSA-N 1 1 323.393 2.516 20 5 DFBDMO CCOc1cc(NCC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000174901748 271141147 /nfs/dbraw/zinc/14/11/47/271141147.db2.gz FDFRVBNKBKYWSQ-UHFFFAOYSA-N 1 1 323.393 2.516 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000246855663 271261672 /nfs/dbraw/zinc/26/16/72/271261672.db2.gz CTGGYWDODNBCKZ-CABCVRRESA-N 1 1 317.389 2.602 20 5 DFBDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000293114975 427216473 /nfs/dbraw/zinc/21/64/73/427216473.db2.gz RDOVZGXUZZKDGU-INIZCTEOSA-N 1 1 310.369 2.964 20 5 DFBDMO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000292357145 427178126 /nfs/dbraw/zinc/17/81/26/427178126.db2.gz QDWBEIUHFVFIKN-OAHLLOKOSA-N 1 1 317.433 2.944 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000292575539 427192790 /nfs/dbraw/zinc/19/27/90/427192790.db2.gz RTCUERWIEHDTBW-CHWSQXEVSA-N 1 1 322.409 2.684 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285395774 427219769 /nfs/dbraw/zinc/21/97/69/427219769.db2.gz CHENHFPGXSLZPS-CYBMUJFWSA-N 1 1 318.295 2.874 20 5 DFBDMO Cc1c(C[N@@H+](C)C[C@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000293161903 427231878 /nfs/dbraw/zinc/23/18/78/427231878.db2.gz CKPKNTXXFDQICO-QGZVFWFLSA-N 1 1 314.385 2.939 20 5 DFBDMO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330454911 427242869 /nfs/dbraw/zinc/24/28/69/427242869.db2.gz NNOOBXZBCUAEKO-TZMCWYRMSA-N 1 1 307.394 2.605 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330454911 427242876 /nfs/dbraw/zinc/24/28/76/427242876.db2.gz NNOOBXZBCUAEKO-TZMCWYRMSA-N 1 1 307.394 2.605 20 5 DFBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183311163 427245827 /nfs/dbraw/zinc/24/58/27/427245827.db2.gz KHEONOMIYUZSDO-HNNXBMFYSA-N 1 1 319.405 2.641 20 5 DFBDMO C[N@@H+](CCc1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673482 427247094 /nfs/dbraw/zinc/24/70/94/427247094.db2.gz OMFNVTZQCQDECZ-QGZVFWFLSA-N 1 1 318.348 2.942 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269686247 427248692 /nfs/dbraw/zinc/24/86/92/427248692.db2.gz ZXOKVEYLEJFDTL-GJZGRUSLSA-N 1 1 310.419 2.702 20 5 DFBDMO C[N@H+](Cc1cccc(F)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269729898 427263986 /nfs/dbraw/zinc/26/39/86/427263986.db2.gz XJNUAQBLJXZTPV-INIZCTEOSA-N 1 1 304.321 2.899 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330569366 427268241 /nfs/dbraw/zinc/26/82/41/427268241.db2.gz MBJYWJHFAJGNMX-OLZOCXBDSA-N 1 1 307.394 2.518 20 5 DFBDMO C[N@@H+](CCC(=O)OC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000338356110 427275634 /nfs/dbraw/zinc/27/56/34/427275634.db2.gz OBPTUYYDQALEIW-UHFFFAOYSA-N 1 1 308.378 2.801 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000285744367 427325187 /nfs/dbraw/zinc/32/51/87/427325187.db2.gz RGLFHQUOQBLDFJ-AWEZNQCLSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000285744367 427325193 /nfs/dbraw/zinc/32/51/93/427325193.db2.gz RGLFHQUOQBLDFJ-AWEZNQCLSA-N 1 1 302.334 2.666 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000293510010 427349284 /nfs/dbraw/zinc/34/92/84/427349284.db2.gz OGFCCUSVLUXWPP-JTQLQIEISA-N 1 1 318.295 2.818 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000293510010 427349288 /nfs/dbraw/zinc/34/92/88/427349288.db2.gz OGFCCUSVLUXWPP-JTQLQIEISA-N 1 1 318.295 2.818 20 5 DFBDMO COc1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000338383415 427291061 /nfs/dbraw/zinc/29/10/61/427291061.db2.gz RLFZQTMEEBIMSD-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO Cc1c(C[N@@H+]2CC=C(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000285632567 427296471 /nfs/dbraw/zinc/29/64/71/427296471.db2.gz NXRCLQNBFSMAIT-UHFFFAOYSA-N 1 1 312.373 2.926 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000184052977 427380664 /nfs/dbraw/zinc/38/06/64/427380664.db2.gz PKUNAISVHJJHKJ-NVXWUHKLSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000278012993 427385427 /nfs/dbraw/zinc/38/54/27/427385427.db2.gz SOEPGZHYPOIAQE-CQSZACIVSA-N 1 1 317.389 2.650 20 5 DFBDMO CCOCC[N@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184211765 427417633 /nfs/dbraw/zinc/41/76/33/427417633.db2.gz LVJKYUNYURAHHL-UHFFFAOYSA-N 1 1 300.330 2.601 20 5 DFBDMO CCOCC[N@@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184211765 427417636 /nfs/dbraw/zinc/41/76/36/427417636.db2.gz LVJKYUNYURAHHL-UHFFFAOYSA-N 1 1 300.330 2.601 20 5 DFBDMO CC(=O)c1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000286233155 427461127 /nfs/dbraw/zinc/46/11/27/427461127.db2.gz OGARXBIRVSILQB-CJNGLKHVSA-N 1 1 317.389 2.718 20 5 DFBDMO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000340909019 271754575 /nfs/dbraw/zinc/75/45/75/271754575.db2.gz ZNJSOUMRBLUPCP-AVGNSLFASA-N 1 1 307.394 2.939 20 5 DFBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000297719199 427436222 /nfs/dbraw/zinc/43/62/22/427436222.db2.gz BUBUUXHDCYNRKS-GFCCVEGCSA-N 1 1 323.393 2.908 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286156805 427439476 /nfs/dbraw/zinc/43/94/76/427439476.db2.gz JEMMTDHZQODAFP-PBWFPOADSA-N 1 1 317.389 2.600 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000332009536 427491506 /nfs/dbraw/zinc/49/15/06/427491506.db2.gz WNJLZJIYQBNVBL-JWDQPFGJSA-N 1 1 320.389 2.518 20 5 DFBDMO C[C@@H]1CCCCN1C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000298036712 427509096 /nfs/dbraw/zinc/50/90/96/427509096.db2.gz CWMYVIQYYOIEMS-CYBMUJFWSA-N 1 1 319.405 2.821 20 5 DFBDMO CCCCCNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000298072578 427515798 /nfs/dbraw/zinc/51/57/98/427515798.db2.gz HDQUYWIAPAECRA-UHFFFAOYSA-N 1 1 307.394 2.726 20 5 DFBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286613331 427537226 /nfs/dbraw/zinc/53/72/26/427537226.db2.gz BYGUCKGVQQQNAM-CYBMUJFWSA-N 1 1 315.377 2.777 20 5 DFBDMO CCCC(=O)N[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263700717 427544019 /nfs/dbraw/zinc/54/40/19/427544019.db2.gz NOVBBMQMUZPAQB-OAHLLOKOSA-N 1 1 319.405 2.518 20 5 DFBDMO C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000339003941 427617410 /nfs/dbraw/zinc/61/74/10/427617410.db2.gz OXFAINOCZBXKFP-WDEREUQCSA-N 1 1 323.422 2.979 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000341764477 271892705 /nfs/dbraw/zinc/89/27/05/271892705.db2.gz BDYPZABSHARJHG-UHFFFAOYSA-N 1 1 321.421 2.721 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332290754 427570663 /nfs/dbraw/zinc/57/06/63/427570663.db2.gz JIZYLFLQKZNXJB-DGCLKSJQSA-N 1 1 301.350 2.654 20 5 DFBDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192629636 427578181 /nfs/dbraw/zinc/57/81/81/427578181.db2.gz SZQDZKLWCNHLFS-FZMZJTMJSA-N 1 1 305.378 2.704 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000192633943 427578236 /nfs/dbraw/zinc/57/82/36/427578236.db2.gz HIEBUGREHSLFIQ-AWEZNQCLSA-N 1 1 321.425 2.796 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCSCC[C@H]1C ZINC000332333710 427581952 /nfs/dbraw/zinc/58/19/52/427581952.db2.gz MMJCKVPFRFUKQM-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCSCC[C@H]1C ZINC000332333710 427581957 /nfs/dbraw/zinc/58/19/57/427581957.db2.gz MMJCKVPFRFUKQM-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000339009970 427623280 /nfs/dbraw/zinc/62/32/80/427623280.db2.gz HKCIJVFREIIHLT-GOEBONIOSA-N 1 1 308.378 2.936 20 5 DFBDMO CO[C@]1(C)C[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000339009970 427623291 /nfs/dbraw/zinc/62/32/91/427623291.db2.gz HKCIJVFREIIHLT-GOEBONIOSA-N 1 1 308.378 2.936 20 5 DFBDMO COCCO[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000338951827 427585055 /nfs/dbraw/zinc/58/50/55/427585055.db2.gz CHWQATXZEIJRTK-IEXSPKMKSA-N 1 1 320.389 2.735 20 5 DFBDMO CC(C)[N@@H+](CCN1CCO[C@@H](C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000192725103 427596548 /nfs/dbraw/zinc/59/65/48/427596548.db2.gz DUSHTKDHSGBAMA-HNNXBMFYSA-N 1 1 321.421 2.526 20 5 DFBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(c1cc(N)ccc1[N+](=O)[O-])C2 ZINC000192797020 427610938 /nfs/dbraw/zinc/61/09/38/427610938.db2.gz BJKFKQBMJZVODG-UONOGXRCSA-N 1 1 304.394 2.629 20 5 DFBDMO CC(C)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000192850528 427624380 /nfs/dbraw/zinc/62/43/80/427624380.db2.gz ALXOLHFEVMULOB-UHFFFAOYSA-N 1 1 319.405 2.850 20 5 DFBDMO Cc1c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000298485356 427626139 /nfs/dbraw/zinc/62/61/39/427626139.db2.gz GYMVGEVCNOEOST-OLZOCXBDSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000264024829 427636715 /nfs/dbraw/zinc/63/67/15/427636715.db2.gz XYOHZCSLOQOYJF-RDJZCZTQSA-N 1 1 320.389 2.599 20 5 DFBDMO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294570561 427646488 /nfs/dbraw/zinc/64/64/88/427646488.db2.gz BXTZUGKUVRRBSU-SLEUVZQESA-N 1 1 306.410 2.556 20 5 DFBDMO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294570561 427646494 /nfs/dbraw/zinc/64/64/94/427646494.db2.gz BXTZUGKUVRRBSU-SLEUVZQESA-N 1 1 306.410 2.556 20 5 DFBDMO CC[C@@H]([NH2+]Cc1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000193024571 427652253 /nfs/dbraw/zinc/65/22/53/427652253.db2.gz CKCORWQBPNHXIP-CQSZACIVSA-N 1 1 311.345 2.878 20 5 DFBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339057661 427652870 /nfs/dbraw/zinc/65/28/70/427652870.db2.gz UQXBPPFLFJZYJK-LDYMZIIASA-N 1 1 304.268 2.569 20 5 DFBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339057661 427652878 /nfs/dbraw/zinc/65/28/78/427652878.db2.gz UQXBPPFLFJZYJK-LDYMZIIASA-N 1 1 304.268 2.569 20 5 DFBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342667642 272039050 /nfs/dbraw/zinc/03/90/50/272039050.db2.gz BKTJPZJHSQWNLO-GFCCVEGCSA-N 1 1 318.352 2.927 20 5 DFBDMO COc1ccc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000342718125 272045489 /nfs/dbraw/zinc/04/54/89/272045489.db2.gz BWSYXLFMACUVKN-AWEZNQCLSA-N 1 1 307.394 2.518 20 5 DFBDMO COc1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294990775 427669540 /nfs/dbraw/zinc/66/95/40/427669540.db2.gz QNFAOBIOZHXGTI-LLVKDONJSA-N 1 1 323.368 2.663 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934860 272069281 /nfs/dbraw/zinc/06/92/81/272069281.db2.gz PCIMMBDQWJRFNI-UHFFFAOYSA-N 1 1 318.377 2.538 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000343600113 272179764 /nfs/dbraw/zinc/17/97/64/272179764.db2.gz JLYYNGHAIAXINQ-CQSZACIVSA-N 1 1 305.378 2.507 20 5 DFBDMO C[N@H+]1CCCC12CCN(Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000343719464 272208005 /nfs/dbraw/zinc/20/80/05/272208005.db2.gz DIRAOOOIGSSWES-UHFFFAOYSA-N 1 1 307.369 2.794 20 5 DFBDMO COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000343888965 272232193 /nfs/dbraw/zinc/23/21/93/272232193.db2.gz VQLNQHFMRKNPCX-LSDHHAIUSA-N 1 1 322.405 2.954 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937641 272240366 /nfs/dbraw/zinc/24/03/66/272240366.db2.gz STBDTBIAPOMHEM-HOCLYGCPSA-N 1 1 319.405 2.532 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344183974 272282619 /nfs/dbraw/zinc/28/26/19/272282619.db2.gz XVSYJEZJXRGUQJ-LBPRGKRZSA-N 1 1 323.368 2.728 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](F)C[C@H]3CO)o2)cc1 ZINC000344821484 272374624 /nfs/dbraw/zinc/37/46/24/272374624.db2.gz FBIXYDAJQORBSH-JSGCOSHPSA-N 1 1 320.320 2.760 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](F)C[C@H]3CO)o2)cc1 ZINC000344821484 272374627 /nfs/dbraw/zinc/37/46/27/272374627.db2.gz FBIXYDAJQORBSH-JSGCOSHPSA-N 1 1 320.320 2.760 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000193863923 427720760 /nfs/dbraw/zinc/72/07/60/427720760.db2.gz ZVNCWRMEBPJFKI-CYBMUJFWSA-N 1 1 316.361 2.706 20 5 DFBDMO COc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000193863923 427720764 /nfs/dbraw/zinc/72/07/64/427720764.db2.gz ZVNCWRMEBPJFKI-CYBMUJFWSA-N 1 1 316.361 2.706 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000336868552 427767919 /nfs/dbraw/zinc/76/79/19/427767919.db2.gz XFNBYRBKAAUXRW-DOMZBBRYSA-N 1 1 307.369 2.793 20 5 DFBDMO CC1=CC[N@@H+](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000339208758 427731970 /nfs/dbraw/zinc/73/19/70/427731970.db2.gz OGWOPQPZYLVBEM-UHFFFAOYSA-N 1 1 323.780 2.630 20 5 DFBDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000186042544 427743114 /nfs/dbraw/zinc/74/31/14/427743114.db2.gz GOYFEAKXNDWPQC-QGZVFWFLSA-N 1 1 314.389 2.889 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301462300 427797796 /nfs/dbraw/zinc/79/77/96/427797796.db2.gz FFZXVXAYTQYRLP-QRTARXTBSA-N 1 1 301.390 2.824 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000339704942 427815436 /nfs/dbraw/zinc/81/54/36/427815436.db2.gz SFCCCVQOMWRXEP-KRWDZBQOSA-N 1 1 322.405 2.834 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000301770927 427822327 /nfs/dbraw/zinc/82/23/27/427822327.db2.gz KOMUMUJYDSVFAI-UHFFFAOYSA-N 1 1 321.421 2.698 20 5 DFBDMO C[C@@H](F)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000340461848 427855176 /nfs/dbraw/zinc/85/51/76/427855176.db2.gz MPCUTUJENSCHPK-RISCZKNCSA-N 1 1 306.341 2.755 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000355733414 427866026 /nfs/dbraw/zinc/86/60/26/427866026.db2.gz AIJRJRNPFMPZTD-QGZVFWFLSA-N 1 1 320.389 2.866 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000355740869 427870431 /nfs/dbraw/zinc/87/04/31/427870431.db2.gz BPDRDZZWUGACRJ-KRWDZBQOSA-N 1 1 322.405 2.976 20 5 DFBDMO CC(C)[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000304254748 427921228 /nfs/dbraw/zinc/92/12/28/427921228.db2.gz BGQXBPBXAVUQIH-HNNXBMFYSA-N 1 1 308.378 2.597 20 5 DFBDMO C[N@@H+]1CC=C(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413220580 427994039 /nfs/dbraw/zinc/99/40/39/427994039.db2.gz GTSBPNKLBHUPGC-UHFFFAOYSA-N 1 1 316.283 2.682 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347254220 272757882 /nfs/dbraw/zinc/75/78/82/272757882.db2.gz GTOSTBYUNIVEAJ-UHFFFAOYSA-N 1 1 312.345 2.587 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000340883345 427944617 /nfs/dbraw/zinc/94/46/17/427944617.db2.gz VPWVSTPNBYVBHG-INIZCTEOSA-N 1 1 305.378 2.574 20 5 DFBDMO CC(C)(C)C1=CC[N@@H+](CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000346106877 428021480 /nfs/dbraw/zinc/02/14/80/428021480.db2.gz ULESYPNJGPGHIX-UHFFFAOYSA-N 1 1 304.394 3.080 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000377212284 428086624 /nfs/dbraw/zinc/08/66/24/428086624.db2.gz ADQXKIKMAUAKKQ-INIZCTEOSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000377212284 428086625 /nfs/dbraw/zinc/08/66/25/428086625.db2.gz ADQXKIKMAUAKKQ-INIZCTEOSA-N 1 1 320.389 2.994 20 5 DFBDMO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000341542399 428098856 /nfs/dbraw/zinc/09/88/56/428098856.db2.gz JQXHAGYXAKFVCY-VXGBXAGGSA-N 1 1 323.368 2.727 20 5 DFBDMO Cc1ccccc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369971575 428099291 /nfs/dbraw/zinc/09/92/91/428099291.db2.gz BLHPAAZTJWHHJP-OAHLLOKOSA-N 1 1 300.362 2.937 20 5 DFBDMO Cc1c(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)cccc1[N+](=O)[O-] ZINC000370017595 428111728 /nfs/dbraw/zinc/11/17/28/428111728.db2.gz KPNPSPVQLSTTLO-OLZOCXBDSA-N 1 1 303.362 2.716 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000370026654 428112908 /nfs/dbraw/zinc/11/29/08/428112908.db2.gz LBVXZPRBHVBXRU-CQSZACIVSA-N 1 1 322.315 2.907 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000370026654 428112919 /nfs/dbraw/zinc/11/29/19/428112919.db2.gz LBVXZPRBHVBXRU-CQSZACIVSA-N 1 1 322.315 2.907 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccc2)c2ccccn2)n1 ZINC000370025582 428114388 /nfs/dbraw/zinc/11/43/88/428114388.db2.gz FNDABCPOUIPZFU-QGZVFWFLSA-N 1 1 323.356 2.566 20 5 DFBDMO C[C@@H]1C[C@H](c2ccsc2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046232 428117733 /nfs/dbraw/zinc/11/77/33/428117733.db2.gz QHYIKHQQYIMRLD-PWSUYJOCSA-N 1 1 306.391 2.768 20 5 DFBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370044569 428119406 /nfs/dbraw/zinc/11/94/06/428119406.db2.gz FBVKUARQRZSLAA-WCQYABFASA-N 1 1 318.352 2.845 20 5 DFBDMO CC[N@H+]1CCC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352357540 428133228 /nfs/dbraw/zinc/13/32/28/428133228.db2.gz RWVKHPPSHQEWKS-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DFBDMO COc1cc(C[N@@H+](C)CCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000352540779 428141756 /nfs/dbraw/zinc/14/17/56/428141756.db2.gz PJVNEUIYTNKLLL-UHFFFAOYSA-N 1 1 308.378 2.852 20 5 DFBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539659 428141811 /nfs/dbraw/zinc/14/18/11/428141811.db2.gz BNFBKRWEBUFGFW-TZMCWYRMSA-N 1 1 307.394 2.518 20 5 DFBDMO CCc1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000377502334 428142196 /nfs/dbraw/zinc/14/21/96/428142196.db2.gz MALUQHKHMMMVEC-CYBMUJFWSA-N 1 1 316.361 2.920 20 5 DFBDMO CCCCCNC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545354 428143935 /nfs/dbraw/zinc/14/39/35/428143935.db2.gz WUHADSDEUJWYPT-AWEZNQCLSA-N 1 1 321.421 2.764 20 5 DFBDMO CCCCCNC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545354 428143939 /nfs/dbraw/zinc/14/39/39/428143939.db2.gz WUHADSDEUJWYPT-AWEZNQCLSA-N 1 1 321.421 2.764 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH]c3nccnc23)c(Cl)c1 ZINC000356437462 428177460 /nfs/dbraw/zinc/17/74/60/428177460.db2.gz LYSRDLTXWCMPDO-UHFFFAOYSA-N 1 1 317.736 2.761 20 5 DFBDMO CCc1ccc([C@@H]([NH2+]C[C@@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346453789 428180177 /nfs/dbraw/zinc/18/01/77/428180177.db2.gz YMHLYKRERWYUTH-BZNIZROVSA-N 1 1 304.346 2.810 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000346461512 428182130 /nfs/dbraw/zinc/18/21/30/428182130.db2.gz SILCGZLOCWFUNG-OLZOCXBDSA-N 1 1 320.393 2.850 20 5 DFBDMO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)C ZINC000346594160 428232724 /nfs/dbraw/zinc/23/27/24/428232724.db2.gz PURVMPLJTJCYAU-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO CCc1ccc([C@@H]([NH2+][C@@H](C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346480821 428188428 /nfs/dbraw/zinc/18/84/28/428188428.db2.gz GLHRSTIPLDSSMS-ZBEGNZNMSA-N 1 1 304.346 2.810 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCn2ccnc2C1 ZINC000377677426 428190415 /nfs/dbraw/zinc/19/04/15/428190415.db2.gz MYNSDUGAGRJKCU-CYBMUJFWSA-N 1 1 318.352 2.625 20 5 DFBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000377945635 428269662 /nfs/dbraw/zinc/26/96/62/428269662.db2.gz PVSKZOAPFULJRQ-YOEHRIQHSA-N 1 1 314.389 2.917 20 5 DFBDMO C[C@@H]1C[C@H](c2ccsc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000377950032 428269860 /nfs/dbraw/zinc/26/98/60/428269860.db2.gz UQPKRWVOYGIJCL-YPMHNXCESA-N 1 1 306.391 2.731 20 5 DFBDMO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CCCC1 ZINC000352878775 428292968 /nfs/dbraw/zinc/29/29/68/428292968.db2.gz UOOANTCYSDFZPV-UHFFFAOYSA-N 1 1 321.421 2.781 20 5 DFBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CCCC1 ZINC000352878775 428292973 /nfs/dbraw/zinc/29/29/73/428292973.db2.gz UOOANTCYSDFZPV-UHFFFAOYSA-N 1 1 321.421 2.781 20 5 DFBDMO O=C(C[N@@H+]1C[C@@H]2CCCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000378048964 428295088 /nfs/dbraw/zinc/29/50/88/428295088.db2.gz NAGBPJQAAHQPLV-JSGCOSHPSA-N 1 1 303.362 2.798 20 5 DFBDMO O=C(C[N@H+]1C[C@@H]2CCCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000378048964 428295092 /nfs/dbraw/zinc/29/50/92/428295092.db2.gz NAGBPJQAAHQPLV-JSGCOSHPSA-N 1 1 303.362 2.798 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH+]ccn3C2)cc1OC(F)F ZINC000377836749 428242627 /nfs/dbraw/zinc/24/26/27/428242627.db2.gz FIXXISUKWAKGMI-SNVBAGLBSA-N 1 1 324.287 2.820 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c2ccncc21 ZINC000370859831 428310098 /nfs/dbraw/zinc/31/00/98/428310098.db2.gz GASAXCIFIGZMFY-SNVBAGLBSA-N 1 1 309.329 2.836 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c2ccncc21 ZINC000370859831 428310102 /nfs/dbraw/zinc/31/01/02/428310102.db2.gz GASAXCIFIGZMFY-SNVBAGLBSA-N 1 1 309.329 2.836 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000378131869 428316450 /nfs/dbraw/zinc/31/64/50/428316450.db2.gz GTCNNCUVNYUPCR-ZIAGYGMSSA-N 1 1 304.394 2.751 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2Cn2cncn2)ccc1Cl ZINC000378169990 428325661 /nfs/dbraw/zinc/32/56/61/428325661.db2.gz PFXLPHIVSADTRQ-LBPRGKRZSA-N 1 1 321.768 2.504 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2Cn2cncn2)ccc1Cl ZINC000378169990 428325667 /nfs/dbraw/zinc/32/56/67/428325667.db2.gz PFXLPHIVSADTRQ-LBPRGKRZSA-N 1 1 321.768 2.504 20 5 DFBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000360536317 428338464 /nfs/dbraw/zinc/33/84/64/428338464.db2.gz JKEJNLALODNUFI-CYBMUJFWSA-N 1 1 300.362 2.708 20 5 DFBDMO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCn4cc[nH+]c43)ccc2c1 ZINC000378221463 428338896 /nfs/dbraw/zinc/33/88/96/428338896.db2.gz GCRPGYAHKLAKJD-ZDUSSCGKSA-N 1 1 323.356 3.329 20 5 DFBDMO C[C@H](C[NH+](C)C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000342198269 428346768 /nfs/dbraw/zinc/34/67/68/428346768.db2.gz CQQYEYSGPZGLMP-GFCCVEGCSA-N 1 1 303.362 2.895 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000346865599 428350689 /nfs/dbraw/zinc/35/06/89/428350689.db2.gz DICWRJVFNNUOKW-UHFFFAOYSA-N 1 1 300.318 2.617 20 5 DFBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnc[nH]1 ZINC000342101910 428301468 /nfs/dbraw/zinc/30/14/68/428301468.db2.gz XWFIMCDIRSZVHZ-UHFFFAOYSA-N 1 1 320.374 2.748 20 5 DFBDMO C[S@@](=O)Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000353119250 428391521 /nfs/dbraw/zinc/39/15/21/428391521.db2.gz NSTUDQFZNSBVSX-OAQYLSRUSA-N 1 1 324.427 2.825 20 5 DFBDMO Cc1c(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000357155488 428411934 /nfs/dbraw/zinc/41/19/34/428411934.db2.gz GCZBRFIDJSJTMD-OAHLLOKOSA-N 1 1 319.405 2.784 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H](COC(F)F)C2)cc1[N+](=O)[O-] ZINC000353030058 428360440 /nfs/dbraw/zinc/36/04/40/428360440.db2.gz RPDBSNICXMYNNE-NSHDSACASA-N 1 1 316.304 2.665 20 5 DFBDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000353028032 428361509 /nfs/dbraw/zinc/36/15/09/428361509.db2.gz YXMYJMCPBDYXOK-UHFFFAOYSA-N 1 1 320.389 2.994 20 5 DFBDMO CC[N@H+]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000342247287 428367844 /nfs/dbraw/zinc/36/78/44/428367844.db2.gz JUFAUDQJXCEZML-LBPRGKRZSA-N 1 1 317.345 2.555 20 5 DFBDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1(C)C ZINC000378368421 428380087 /nfs/dbraw/zinc/38/00/87/428380087.db2.gz HKMAUJKTJFSZBH-CYBMUJFWSA-N 1 1 306.362 2.534 20 5 DFBDMO Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000372416796 428445974 /nfs/dbraw/zinc/44/59/74/428445974.db2.gz RFDMOADSRJHBNX-JKSUJKDBSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cccc([C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000378642355 428446785 /nfs/dbraw/zinc/44/67/85/428446785.db2.gz FRPPSYZUYYKHPO-AWEZNQCLSA-N 1 1 300.362 2.626 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCS[C@H](c3ccccc3)C2)n1 ZINC000360847760 428463461 /nfs/dbraw/zinc/46/34/61/428463461.db2.gz IKRKODFZTJALKQ-AWEZNQCLSA-N 1 1 318.402 2.581 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000373077600 428513741 /nfs/dbraw/zinc/51/37/41/428513741.db2.gz CMSFEBYYLAPINO-KBPBESRZSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000347256405 428514291 /nfs/dbraw/zinc/51/42/91/428514291.db2.gz GVDHOZCMPBWGMS-MNOVXSKESA-N 1 1 324.356 2.680 20 5 DFBDMO C[C@H](CCNc1ccncc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000360991390 428526148 /nfs/dbraw/zinc/52/61/48/428526148.db2.gz SNFNHAOAPYYZFY-CQSZACIVSA-N 1 1 314.389 2.734 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373247618 428526466 /nfs/dbraw/zinc/52/64/66/428526466.db2.gz RPSUUDRGNBECDC-QGZVFWFLSA-N 1 1 320.389 2.729 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347285225 428529414 /nfs/dbraw/zinc/52/94/14/428529414.db2.gz LVTDZVYPMKZMHZ-ZDUSSCGKSA-N 1 1 324.356 2.682 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC(OCC)C1 ZINC000347447228 428582144 /nfs/dbraw/zinc/58/21/44/428582144.db2.gz IEEJRPCBTALZBP-UHFFFAOYSA-N 1 1 308.378 2.993 20 5 DFBDMO C[C@@H](CCNc1ccc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000353451973 428543907 /nfs/dbraw/zinc/54/39/07/428543907.db2.gz UGGQFCJINPZOIC-AWEZNQCLSA-N 1 1 314.389 3.312 20 5 DFBDMO CCC(=O)c1ccc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000373530159 428597882 /nfs/dbraw/zinc/59/78/82/428597882.db2.gz OTWVLFBUOVCAHM-GXTWGEPZSA-N 1 1 317.389 2.860 20 5 DFBDMO CCC(=O)c1ccc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000373530166 428598744 /nfs/dbraw/zinc/59/87/44/428598744.db2.gz OTWVLFBUOVCAHM-TZMCWYRMSA-N 1 1 317.389 2.860 20 5 DFBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000347564407 428606939 /nfs/dbraw/zinc/60/69/39/428606939.db2.gz UJGGEDUBMKZNCZ-HNNXBMFYSA-N 1 1 318.377 2.883 20 5 DFBDMO C[NH2+][C@@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000262113720 273971891 /nfs/dbraw/zinc/97/18/91/273971891.db2.gz JZRRJMGAAMGOLY-GFCCVEGCSA-N 1 1 300.362 2.640 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000408171471 428613249 /nfs/dbraw/zinc/61/32/49/428613249.db2.gz JZAYLAYODJFHIT-ZIAGYGMSSA-N 1 1 304.394 2.670 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353610579 428620647 /nfs/dbraw/zinc/62/06/47/428620647.db2.gz WXXYGGBWAUCSKB-CYBMUJFWSA-N 1 1 315.373 2.991 20 5 DFBDMO C[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353610579 428620659 /nfs/dbraw/zinc/62/06/59/428620659.db2.gz WXXYGGBWAUCSKB-CYBMUJFWSA-N 1 1 315.373 2.991 20 5 DFBDMO C[C@@H]1CN(C)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353610579 428620665 /nfs/dbraw/zinc/62/06/65/428620665.db2.gz WXXYGGBWAUCSKB-CYBMUJFWSA-N 1 1 315.373 2.991 20 5 DFBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000287560643 274024693 /nfs/dbraw/zinc/02/46/93/274024693.db2.gz WVLBRKGOQKPWRJ-UHFFFAOYSA-N 1 1 315.373 2.681 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000408306353 428638558 /nfs/dbraw/zinc/63/85/58/428638558.db2.gz CORNUJDWGSRSKJ-OLZOCXBDSA-N 1 1 320.393 2.768 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCSCC[C@H]1C ZINC000348179734 428644730 /nfs/dbraw/zinc/64/47/30/428644730.db2.gz GVFRWDWFZSQAPI-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCSCC[C@H]1C ZINC000348179734 428644736 /nfs/dbraw/zinc/64/47/36/428644736.db2.gz GVFRWDWFZSQAPI-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000373746348 428645065 /nfs/dbraw/zinc/64/50/65/428645065.db2.gz NXFNPKFPJNDWFM-KGLIPLIRSA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1c(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000353689051 428659087 /nfs/dbraw/zinc/65/90/87/428659087.db2.gz PQJVKDPVNJGWDS-ZMSDIMECSA-N 1 1 303.406 2.866 20 5 DFBDMO Cc1c(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000353689051 428659093 /nfs/dbraw/zinc/65/90/93/428659093.db2.gz PQJVKDPVNJGWDS-ZMSDIMECSA-N 1 1 303.406 2.866 20 5 DFBDMO COc1ccc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000353699282 428664422 /nfs/dbraw/zinc/66/44/22/428664422.db2.gz RHBLFGUMIZSFQZ-HIFRSBDPSA-N 1 1 319.405 2.662 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000174010353 274314446 /nfs/dbraw/zinc/31/44/46/274314446.db2.gz BMIBANWEPMOYJI-OLZOCXBDSA-N 1 1 317.389 2.604 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000374353799 428676355 /nfs/dbraw/zinc/67/63/55/428676355.db2.gz SMZBTPZCIGRLHE-ZDUSSCGKSA-N 1 1 323.356 2.870 20 5 DFBDMO Cc1nc2ccc(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)cc2[nH]1 ZINC000358861171 428707733 /nfs/dbraw/zinc/70/77/33/428707733.db2.gz MZBQTRQPSYWGNS-UHFFFAOYSA-N 1 1 318.720 2.643 20 5 DFBDMO CC[C@@]1(C)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000362389617 428729526 /nfs/dbraw/zinc/72/95/26/428729526.db2.gz BMYDTTPYSDNHDF-RDJZCZTQSA-N 1 1 322.405 2.847 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000353745113 428690214 /nfs/dbraw/zinc/69/02/14/428690214.db2.gz GZGHVZNUMXXNBI-KRWDZBQOSA-N 1 1 320.389 2.996 20 5 DFBDMO Cn1cc(C[N@H+]2C[C@H]3CCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353895585 428767449 /nfs/dbraw/zinc/76/74/49/428767449.db2.gz COLCBODUVWYQFE-CZUORRHYSA-N 1 1 312.373 2.980 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000353901394 428769156 /nfs/dbraw/zinc/76/91/56/428769156.db2.gz HJUSQMWSEAYDTJ-LBPRGKRZSA-N 1 1 320.393 2.621 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000411301912 428777531 /nfs/dbraw/zinc/77/75/31/428777531.db2.gz ZVFSLIHNKHPNSI-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](C4CC4)C3)n2)c1 ZINC000362413520 428736438 /nfs/dbraw/zinc/73/64/38/428736438.db2.gz MQSJZYMKSKVXRE-ZDUSSCGKSA-N 1 1 314.345 2.877 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000374768400 428748338 /nfs/dbraw/zinc/74/83/38/428748338.db2.gz RPCMZUHRYGXACK-ROJDOSBLSA-N 1 1 312.373 2.969 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000345279625 428827019 /nfs/dbraw/zinc/82/70/19/428827019.db2.gz VXDPLHZASNIDSE-CHWSQXEVSA-N 1 1 320.393 2.816 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411841322 428865922 /nfs/dbraw/zinc/86/59/22/428865922.db2.gz HDDJLKJCUAASRF-LBPRGKRZSA-N 1 1 300.362 2.838 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCc2c(cnn2C)C1 ZINC000411841322 428865926 /nfs/dbraw/zinc/86/59/26/428865926.db2.gz HDDJLKJCUAASRF-LBPRGKRZSA-N 1 1 300.362 2.838 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000345428469 428883940 /nfs/dbraw/zinc/88/39/40/428883940.db2.gz OEPKESZQCZNDNU-LBPRGKRZSA-N 1 1 320.393 2.770 20 5 DFBDMO Cc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000375471236 428895625 /nfs/dbraw/zinc/89/56/25/428895625.db2.gz LHAGABUVAHGIRS-UHFFFAOYSA-N 1 1 303.406 2.963 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219762 428923953 /nfs/dbraw/zinc/92/39/53/428923953.db2.gz DGFHYXPPBFQXQR-LSDHHAIUSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219762 428923976 /nfs/dbraw/zinc/92/39/76/428923976.db2.gz DGFHYXPPBFQXQR-LSDHHAIUSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219762 428923980 /nfs/dbraw/zinc/92/39/80/428923980.db2.gz DGFHYXPPBFQXQR-LSDHHAIUSA-N 1 1 321.421 2.778 20 5 DFBDMO O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2CCC[N@@H+]2C2CC2)n1 ZINC000345540502 428926554 /nfs/dbraw/zinc/92/65/54/428926554.db2.gz MAEXXQWXWQRCLG-AWEZNQCLSA-N 1 1 314.345 2.868 20 5 DFBDMO O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2CCC[N@H+]2C2CC2)n1 ZINC000345540502 428926558 /nfs/dbraw/zinc/92/65/58/428926558.db2.gz MAEXXQWXWQRCLG-AWEZNQCLSA-N 1 1 314.345 2.868 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1Cc2ccccc2[C@@H]1O ZINC000375664771 428935769 /nfs/dbraw/zinc/93/57/69/428935769.db2.gz JOPJDMFSNIJKNZ-ROUUACIJSA-N 1 1 312.369 2.727 20 5 DFBDMO Cc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000296141528 274740957 /nfs/dbraw/zinc/74/09/57/274740957.db2.gz WVCAGSDGZLRIJH-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000412102281 428954828 /nfs/dbraw/zinc/95/48/28/428954828.db2.gz KBFXHHDCSLOIKS-HNNXBMFYSA-N 1 1 310.325 2.509 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000412102281 428954835 /nfs/dbraw/zinc/95/48/35/428954835.db2.gz KBFXHHDCSLOIKS-HNNXBMFYSA-N 1 1 310.325 2.509 20 5 DFBDMO O=[N+]([O-])c1ccc2nc(N3CCC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000363621346 428955837 /nfs/dbraw/zinc/95/58/37/428955837.db2.gz ATIITVMOUQZHAG-OAHLLOKOSA-N 1 1 312.373 2.818 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000119716137 274762429 /nfs/dbraw/zinc/76/24/29/274762429.db2.gz KTJYFEYWIPSHBN-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(C)C ZINC000421767326 429028895 /nfs/dbraw/zinc/02/88/95/429028895.db2.gz AMEQWRHSVWIMHG-UHFFFAOYSA-N 1 1 307.394 2.672 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808616 428980834 /nfs/dbraw/zinc/98/08/34/428980834.db2.gz DCNYQRXJSIONCI-SJORKVTESA-N 1 1 303.406 2.696 20 5 DFBDMO CN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808616 428980839 /nfs/dbraw/zinc/98/08/39/428980839.db2.gz DCNYQRXJSIONCI-SJORKVTESA-N 1 1 303.406 2.696 20 5 DFBDMO CN1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808616 428980844 /nfs/dbraw/zinc/98/08/44/428980844.db2.gz DCNYQRXJSIONCI-SJORKVTESA-N 1 1 303.406 2.696 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[N@@H+](C)C1CC1 ZINC000349410424 428986012 /nfs/dbraw/zinc/98/60/12/428986012.db2.gz TZNVQBCJPCNSPJ-UHFFFAOYSA-N 1 1 307.394 2.520 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000433061152 428988681 /nfs/dbraw/zinc/98/86/81/428988681.db2.gz JEUADCPYUWRIFM-HNNXBMFYSA-N 1 1 300.362 2.671 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000376743325 274828824 /nfs/dbraw/zinc/82/88/24/274828824.db2.gz UYHSNGOAVOCIGP-UHFFFAOYSA-N 1 1 301.350 2.645 20 5 DFBDMO COC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452094274 429057282 /nfs/dbraw/zinc/05/72/82/429057282.db2.gz WCBMEWKBABPMSR-CQSZACIVSA-N 1 1 308.378 2.722 20 5 DFBDMO COC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000452107958 429059094 /nfs/dbraw/zinc/05/90/94/429059094.db2.gz UCPIRZFGMJTLHG-GFCCVEGCSA-N 1 1 318.377 2.720 20 5 DFBDMO COC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000452107958 429059097 /nfs/dbraw/zinc/05/90/97/429059097.db2.gz UCPIRZFGMJTLHG-GFCCVEGCSA-N 1 1 318.377 2.720 20 5 DFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]([NH3+])C1CC1 ZINC000423315903 429062823 /nfs/dbraw/zinc/06/28/23/429062823.db2.gz JGEPFIZQATXGFW-STQMWFEESA-N 1 1 309.435 2.792 20 5 DFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N)C1CC1 ZINC000423315903 429062826 /nfs/dbraw/zinc/06/28/26/429062826.db2.gz JGEPFIZQATXGFW-STQMWFEESA-N 1 1 309.435 2.792 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000452135697 429069488 /nfs/dbraw/zinc/06/94/88/429069488.db2.gz WIFPGFUNLLRDCO-AWEZNQCLSA-N 1 1 322.405 2.976 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000367842202 274897825 /nfs/dbraw/zinc/89/78/25/274897825.db2.gz MPAOCZZVLPWGAL-SNVBAGLBSA-N 1 1 306.753 2.976 20 5 DFBDMO CC(=O)c1cc(N[C@H]2CCc3[nH+]c(C)cn3C2)ccc1[N+](=O)[O-] ZINC000376224207 429078448 /nfs/dbraw/zinc/07/84/48/429078448.db2.gz AWLCRIDWCZUXSY-ZDUSSCGKSA-N 1 1 314.345 2.729 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1NCCCC1(C)C ZINC000423398975 429081917 /nfs/dbraw/zinc/08/19/17/429081917.db2.gz VRVSGAXZLQAZMO-CZUORRHYSA-N 1 1 305.422 2.894 20 5 DFBDMO CC[N@H+]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413139559 429146969 /nfs/dbraw/zinc/14/69/69/429146969.db2.gz QRCADNBBGWARDO-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000435594377 429150418 /nfs/dbraw/zinc/15/04/18/429150418.db2.gz QVGFZVGQNOXKTC-AWEZNQCLSA-N 1 1 304.394 3.199 20 5 DFBDMO Cc1nc(NC[C@H]2CCC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000435585337 429150649 /nfs/dbraw/zinc/15/06/49/429150649.db2.gz SUXFGJZNLVAZOA-OAHLLOKOSA-N 1 1 318.421 3.507 20 5 DFBDMO Cc1[nH+]ccn1CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413166766 429154678 /nfs/dbraw/zinc/15/46/78/429154678.db2.gz UNBGMCYWORUYEB-UHFFFAOYSA-N 1 1 311.345 3.150 20 5 DFBDMO CC(=O)c1cc(NC[C@H]2CCCn3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000376404098 429107503 /nfs/dbraw/zinc/10/75/03/429107503.db2.gz UQLQMLHQVVVYEN-GFCCVEGCSA-N 1 1 314.345 2.983 20 5 DFBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000434794716 429112869 /nfs/dbraw/zinc/11/28/69/429112869.db2.gz NQNASJQPBXLLJH-OAHLLOKOSA-N 1 1 307.369 2.840 20 5 DFBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000434794716 429112871 /nfs/dbraw/zinc/11/28/71/429112871.db2.gz NQNASJQPBXLLJH-OAHLLOKOSA-N 1 1 307.369 2.840 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000434951603 429116450 /nfs/dbraw/zinc/11/64/50/429116450.db2.gz ONKRUUYZLNEJSL-LBPRGKRZSA-N 1 1 324.812 2.811 20 5 DFBDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(CC)CC ZINC000434985280 429118897 /nfs/dbraw/zinc/11/88/97/429118897.db2.gz HQIJDZXCWAQUNY-KGLIPLIRSA-N 1 1 324.425 2.744 20 5 DFBDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(CC)CC ZINC000434985280 429118900 /nfs/dbraw/zinc/11/89/00/429118900.db2.gz HQIJDZXCWAQUNY-KGLIPLIRSA-N 1 1 324.425 2.744 20 5 DFBDMO Cc1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000376512022 429125043 /nfs/dbraw/zinc/12/50/43/429125043.db2.gz GAZZOKAYWRZCDF-ZFWWWQNUSA-N 1 1 317.389 2.602 20 5 DFBDMO CC(C)[N@@H+](C)CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413090795 429134696 /nfs/dbraw/zinc/13/46/96/429134696.db2.gz JLFLOIOWVKLDKM-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DFBDMO CC(=O)c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364089029 429169050 /nfs/dbraw/zinc/16/90/50/429169050.db2.gz PAWLHIGMOQPOPW-UONOGXRCSA-N 1 1 303.362 2.836 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c(F)c1 ZINC000301808240 275033770 /nfs/dbraw/zinc/03/37/70/275033770.db2.gz WWLFLKXTGHCQIB-JVLSTEMRSA-N 1 1 323.343 2.794 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301368542 275033961 /nfs/dbraw/zinc/03/39/61/275033961.db2.gz RRNKQGQAMLWMNM-YUTCNCBUSA-N 1 1 305.353 2.654 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301368071 275033986 /nfs/dbraw/zinc/03/39/86/275033986.db2.gz RRNKQGQAMLWMNM-UBHSHLNASA-N 1 1 305.353 2.654 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)c2ncccc12 ZINC000264920002 275036658 /nfs/dbraw/zinc/03/66/58/275036658.db2.gz LVNCMGXXIWABGE-ZDUSSCGKSA-N 1 1 312.373 2.818 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]cnc3C1)CCC2 ZINC000368102957 275038661 /nfs/dbraw/zinc/03/86/61/275038661.db2.gz RAQBZRXJFOAUQX-SWLSCSKDSA-N 1 1 312.373 2.842 20 5 DFBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C/C=C\c3ccncc3)CC2)c1 ZINC000495165588 429182755 /nfs/dbraw/zinc/18/27/55/429182755.db2.gz SCSYYFNDTNYWMV-IHWYPQMZSA-N 1 1 324.384 2.825 20 5 DFBDMO COc1ccccc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364331165 429184209 /nfs/dbraw/zinc/18/42/09/429184209.db2.gz YEIVSFMKKLTTFX-CQSZACIVSA-N 1 1 316.361 2.637 20 5 DFBDMO CCOc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000488747198 429196178 /nfs/dbraw/zinc/19/61/78/429196178.db2.gz ITGOWQCKLNGKHP-INIZCTEOSA-N 1 1 305.378 2.526 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000364364356 429191415 /nfs/dbraw/zinc/19/14/15/429191415.db2.gz UVUPUMYTTOFRQA-HNNXBMFYSA-N 1 1 312.373 2.807 20 5 DFBDMO C[C@H]1CC2(CCC2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364599705 429231736 /nfs/dbraw/zinc/23/17/36/429231736.db2.gz FBVZHCVLQBECEN-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@H]1CC2(CCC2)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364599705 429231740 /nfs/dbraw/zinc/23/17/40/429231740.db2.gz FBVZHCVLQBECEN-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489405741 429237616 /nfs/dbraw/zinc/23/76/16/429237616.db2.gz OWVVIHWMPNZLKN-GFCCVEGCSA-N 1 1 311.769 2.917 20 5 DFBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489405741 429237620 /nfs/dbraw/zinc/23/76/20/429237620.db2.gz OWVVIHWMPNZLKN-GFCCVEGCSA-N 1 1 311.769 2.917 20 5 DFBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CC1(C)C ZINC000489474447 429244860 /nfs/dbraw/zinc/24/48/60/429244860.db2.gz ROOKUQNHJCQUDF-AWEZNQCLSA-N 1 1 319.361 2.623 20 5 DFBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCc2nccn2C1 ZINC000364671283 429245790 /nfs/dbraw/zinc/24/57/90/429245790.db2.gz KVSMQRVLWJJDNQ-GFCCVEGCSA-N 1 1 318.352 2.625 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000364740536 429258970 /nfs/dbraw/zinc/25/89/70/429258970.db2.gz CRTGOXMUGKRNPZ-INIZCTEOSA-N 1 1 300.362 2.846 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000364868625 429267987 /nfs/dbraw/zinc/26/79/87/429267987.db2.gz GUTKGXYQPYWZIY-JQWIXIFHSA-N 1 1 310.785 2.706 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425354826 429273101 /nfs/dbraw/zinc/27/31/01/429273101.db2.gz STNWCPDFIWWCDO-VFQAQYNWSA-N 1 1 313.361 2.537 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000490165723 429280886 /nfs/dbraw/zinc/28/08/86/429280886.db2.gz PYAGUGXBOUJPHE-CQSZACIVSA-N 1 1 308.378 2.599 20 5 DFBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000365434899 429319554 /nfs/dbraw/zinc/31/95/54/429319554.db2.gz BZWOTGPRJSMPSS-ZDUSSCGKSA-N 1 1 323.780 2.559 20 5 DFBDMO CCN1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104234 429333486 /nfs/dbraw/zinc/33/34/86/429333486.db2.gz FHBHCMWKBNFGHD-GJZGRUSLSA-N 1 1 305.422 2.847 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000426504816 429397676 /nfs/dbraw/zinc/39/76/76/429397676.db2.gz PUDHVVCJEPQZJH-JZUUQJBKSA-N 1 1 302.374 2.845 20 5 DFBDMO COCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426521617 429400460 /nfs/dbraw/zinc/40/04/60/429400460.db2.gz HXMFOUMRCOMZEF-HNNXBMFYSA-N 1 1 322.405 2.956 20 5 DFBDMO CC[N@@H+]1CC[C@@H](N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000518989610 429443797 /nfs/dbraw/zinc/44/37/97/429443797.db2.gz VXYORLNLPZLMLZ-DGCLKSJQSA-N 1 1 317.311 2.882 20 5 DFBDMO CC[N@H+]1CC[C@@H](N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000518989610 429443798 /nfs/dbraw/zinc/44/37/98/429443798.db2.gz VXYORLNLPZLMLZ-DGCLKSJQSA-N 1 1 317.311 2.882 20 5 DFBDMO COc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449525168 429444650 /nfs/dbraw/zinc/44/46/50/429444650.db2.gz BDIHTZQJTOEOPI-AWEZNQCLSA-N 1 1 308.403 2.931 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CO)[C@H]1CC ZINC000449421320 429412239 /nfs/dbraw/zinc/41/22/39/429412239.db2.gz LHIOBRJFLLFLSR-IUODEOHRSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449675280 429474135 /nfs/dbraw/zinc/47/41/35/429474135.db2.gz ZEJIGTAYUHHDLH-YPMHNXCESA-N 1 1 318.295 2.648 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000366629667 429489233 /nfs/dbraw/zinc/48/92/33/429489233.db2.gz NLLBFAJZPSSULN-WFASDCNBSA-N 1 1 306.362 2.604 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000520224565 429504680 /nfs/dbraw/zinc/50/46/80/429504680.db2.gz MPFBUEICACOEJN-CABCVRRESA-N 1 1 320.389 2.865 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000428500360 429531094 /nfs/dbraw/zinc/53/10/94/429531094.db2.gz LHYMSWGXMVKXEL-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429002862 429571036 /nfs/dbraw/zinc/57/10/36/429571036.db2.gz WAWYOOJGUYZUIQ-DYEKYZERSA-N 1 1 309.435 2.818 20 5 DFBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429002863 429571606 /nfs/dbraw/zinc/57/16/06/429571606.db2.gz WAWYOOJGUYZUIQ-MBNYWOFBSA-N 1 1 309.435 2.818 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000429005456 429572110 /nfs/dbraw/zinc/57/21/10/429572110.db2.gz GOOASOKFVLYIQI-HNNXBMFYSA-N 1 1 320.389 2.722 20 5 DFBDMO CCOc1cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000492792719 429615910 /nfs/dbraw/zinc/61/59/10/429615910.db2.gz UBUBDSROSGLTOD-LBPRGKRZSA-N 1 1 318.377 2.920 20 5 DFBDMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000492792719 429615914 /nfs/dbraw/zinc/61/59/14/429615914.db2.gz UBUBDSROSGLTOD-LBPRGKRZSA-N 1 1 318.377 2.920 20 5 DFBDMO C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000429580226 429619025 /nfs/dbraw/zinc/61/90/25/429619025.db2.gz UCHWGOIZRQQFSI-GXTWGEPZSA-N 1 1 317.389 2.604 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429263792 429593733 /nfs/dbraw/zinc/59/37/33/429593733.db2.gz ADLWQTIMHYBSDF-CYBMUJFWSA-N 1 1 308.353 2.982 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429263792 429593735 /nfs/dbraw/zinc/59/37/35/429593735.db2.gz ADLWQTIMHYBSDF-CYBMUJFWSA-N 1 1 308.353 2.982 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)no1 ZINC000367274070 429609626 /nfs/dbraw/zinc/60/96/26/429609626.db2.gz JMNHPYDKLYGMSJ-GFCCVEGCSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)no1 ZINC000367274070 429609631 /nfs/dbraw/zinc/60/96/31/429609631.db2.gz JMNHPYDKLYGMSJ-GFCCVEGCSA-N 1 1 320.324 2.805 20 5 DFBDMO COC(=O)C1(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000450593656 429656634 /nfs/dbraw/zinc/65/66/34/429656634.db2.gz BRPRRUVXZTXBIY-UHFFFAOYSA-N 1 1 304.346 2.512 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000430195618 429660375 /nfs/dbraw/zinc/66/03/75/429660375.db2.gz OPDXWBRHTMZZIF-ZOWXZIJZSA-N 1 1 308.378 2.585 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430288002 429674791 /nfs/dbraw/zinc/67/47/91/429674791.db2.gz ZYNCVZVXIDVMES-LLVKDONJSA-N 1 1 303.362 2.740 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430288002 429674793 /nfs/dbraw/zinc/67/47/93/429674793.db2.gz ZYNCVZVXIDVMES-LLVKDONJSA-N 1 1 303.362 2.740 20 5 DFBDMO CCc1cc(CCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)on1 ZINC000450692138 429677602 /nfs/dbraw/zinc/67/76/02/429677602.db2.gz KBCFFBMDCZLVDX-UHFFFAOYSA-N 1 1 316.361 2.531 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[N@H+]1CC ZINC000175362924 276376617 /nfs/dbraw/zinc/37/66/17/276376617.db2.gz CWYSJSJYPRKJQE-MRXNPFEDSA-N 1 1 321.421 2.910 20 5 DFBDMO O=c1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c2c(ccc3ccccc32)o1 ZINC000367846352 429729249 /nfs/dbraw/zinc/72/92/49/429729249.db2.gz BACCMOVAGHXGKP-FVQHAEBGSA-N 1 1 321.376 2.616 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000450959567 429737903 /nfs/dbraw/zinc/73/79/03/429737903.db2.gz YUYAWRABADUEKB-JTQLQIEISA-N 1 1 321.406 2.518 20 5 DFBDMO CCOc1cc(N2CC[C@@H](C[N@@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000486932451 429754846 /nfs/dbraw/zinc/75/48/46/429754846.db2.gz DFEPHEXDDXQFIZ-ZDUSSCGKSA-N 1 1 307.394 2.772 20 5 DFBDMO CC(C)[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487079260 429764453 /nfs/dbraw/zinc/76/44/53/429764453.db2.gz BMUABGLGZCQMPJ-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451141256 429773861 /nfs/dbraw/zinc/77/38/61/429773861.db2.gz DMUMHZZPWBHHOD-AEJSXWLSSA-N 1 1 320.315 2.880 20 5 DFBDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451141256 429773865 /nfs/dbraw/zinc/77/38/65/429773865.db2.gz DMUMHZZPWBHHOD-AEJSXWLSSA-N 1 1 320.315 2.880 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493677437 429807818 /nfs/dbraw/zinc/80/78/18/429807818.db2.gz UQTQDZDQKGSHNK-XITLMJRVSA-N 1 1 317.389 2.549 20 5 DFBDMO CCOc1cc(CN2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000493733863 429819860 /nfs/dbraw/zinc/81/98/60/429819860.db2.gz DAJANRAJIGQGGB-INIZCTEOSA-N 1 1 321.421 2.766 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451413880 429825222 /nfs/dbraw/zinc/82/52/22/429825222.db2.gz HRFNQDJLAOZPAG-XFJVYGCCSA-N 1 1 308.353 2.859 20 5 DFBDMO CCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1OC ZINC000451655043 429868668 /nfs/dbraw/zinc/86/86/68/429868668.db2.gz WZLQHKCHZKYWLA-HZPDHXFCSA-N 1 1 324.425 2.851 20 5 DFBDMO CCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@H]1OC ZINC000451649843 429868694 /nfs/dbraw/zinc/86/86/94/429868694.db2.gz JCMOFHGLNNXOIT-HUUCEWRRSA-N 1 1 324.425 2.851 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC000432880680 429847426 /nfs/dbraw/zinc/84/74/26/429847426.db2.gz YCKAXVNHNQAVKX-CQSZACIVSA-N 1 1 322.409 2.519 20 5 DFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H](O)C(F)(F)F)C2)cc1 ZINC000451543715 429848153 /nfs/dbraw/zinc/84/81/53/429848153.db2.gz CFMONIDGMVAVGD-WCQYABFASA-N 1 1 318.295 2.697 20 5 DFBDMO Cc1nccn1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545595 429849731 /nfs/dbraw/zinc/84/97/31/429849731.db2.gz HTLVVDUELVLUEU-INIZCTEOSA-N 1 1 314.389 2.979 20 5 DFBDMO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547644 429850456 /nfs/dbraw/zinc/85/04/56/429850456.db2.gz LHORIPSNIGVEBJ-UKRRQHHQSA-N 1 1 319.405 2.689 20 5 DFBDMO Cn1cc(CC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000451548438 429850623 /nfs/dbraw/zinc/85/06/23/429850623.db2.gz NFDDHHSALBUAMF-MRXNPFEDSA-N 1 1 314.389 2.750 20 5 DFBDMO CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548818 429851571 /nfs/dbraw/zinc/85/15/71/429851571.db2.gz ONILWLAERARHPV-DZGCQCFKSA-N 1 1 306.362 2.726 20 5 DFBDMO CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548818 429851575 /nfs/dbraw/zinc/85/15/75/429851575.db2.gz ONILWLAERARHPV-DZGCQCFKSA-N 1 1 306.362 2.726 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451569853 429856498 /nfs/dbraw/zinc/85/64/98/429856498.db2.gz OTTZWVLHCXQDBZ-WFASDCNBSA-N 1 1 308.378 2.850 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000368499040 429857480 /nfs/dbraw/zinc/85/74/80/429857480.db2.gz MOUGRWXPGXDJIB-OAHLLOKOSA-N 1 1 321.333 2.506 20 5 DFBDMO Cc1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451578407 429857672 /nfs/dbraw/zinc/85/76/72/429857672.db2.gz XFPINLBTSHXHNH-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451578407 429857675 /nfs/dbraw/zinc/85/76/75/429857675.db2.gz XFPINLBTSHXHNH-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)Cc2cccc(F)c2)cc1 ZINC000494229401 429860598 /nfs/dbraw/zinc/86/05/98/429860598.db2.gz CEODLBCCEQSRRD-UHFFFAOYSA-N 1 1 318.348 2.771 20 5 DFBDMO Cc1c([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cccc1[N+](=O)[O-] ZINC000368685878 429886469 /nfs/dbraw/zinc/88/64/69/429886469.db2.gz BZQCEGVRIXXWNQ-NEPJUHHUSA-N 1 1 300.362 2.834 20 5 DFBDMO Cc1sc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000368690730 429887326 /nfs/dbraw/zinc/88/73/26/429887326.db2.gz XFJYEJAYUPMGBG-NEPJUHHUSA-N 1 1 323.418 2.664 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369060039 429909700 /nfs/dbraw/zinc/90/97/00/429909700.db2.gz AGYHJNKMERNCBS-WFASDCNBSA-N 1 1 317.389 2.646 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369060039 429909701 /nfs/dbraw/zinc/90/97/01/429909701.db2.gz AGYHJNKMERNCBS-WFASDCNBSA-N 1 1 317.389 2.646 20 5 DFBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000369246036 429921410 /nfs/dbraw/zinc/92/14/10/429921410.db2.gz VDIYCJMTFVGDEW-JTQLQIEISA-N 1 1 321.768 2.539 20 5 DFBDMO CC(C)C[N@H+]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000369311812 429923289 /nfs/dbraw/zinc/92/32/89/429923289.db2.gz YPFURHYTWABSQZ-UHFFFAOYSA-N 1 1 323.368 2.538 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451709985 429876423 /nfs/dbraw/zinc/87/64/23/429876423.db2.gz OWXSIWJPEXAVTL-FRRDWIJNSA-N 1 1 308.353 2.717 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000369359043 429930113 /nfs/dbraw/zinc/93/01/13/429930113.db2.gz PQIWJSMPUMXZJE-SNVBAGLBSA-N 1 1 321.768 2.761 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000560193658 430024278 /nfs/dbraw/zinc/02/42/78/430024278.db2.gz ZTVVLDVUWONTLL-CYBMUJFWSA-N 1 1 314.389 3.285 20 5 DFBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000562585584 430150344 /nfs/dbraw/zinc/15/03/44/430150344.db2.gz WMBKJPCHBILEGC-CQSZACIVSA-N 1 1 302.378 2.663 20 5 DFBDMO CN(C)C(=O)CCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000563363804 430181720 /nfs/dbraw/zinc/18/17/20/430181720.db2.gz CIDVJLORNYRYPM-OAHLLOKOSA-N 1 1 319.405 2.643 20 5 DFBDMO C[N@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291712593 277047047 /nfs/dbraw/zinc/04/70/47/277047047.db2.gz VRARICQMQMXCRN-ZDUSSCGKSA-N 1 1 315.373 2.784 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272648001 277177356 /nfs/dbraw/zinc/17/73/56/277177356.db2.gz PJXWNLVAGCGFAL-XHDPSFHLSA-N 1 1 309.797 2.774 20 5 DFBDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000581409359 430206124 /nfs/dbraw/zinc/20/61/24/430206124.db2.gz XCIORIISFZUIMX-NSHDSACASA-N 1 1 315.329 2.627 20 5 DFBDMO Cc1[nH+]ccn1CCCn1ccc2c(cccc2[N+](=O)[O-])c1=O ZINC000582420134 430298438 /nfs/dbraw/zinc/29/84/38/430298438.db2.gz CDHBSCKRXTUQQD-UHFFFAOYSA-N 1 1 312.329 2.505 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000545457644 430320360 /nfs/dbraw/zinc/32/03/60/430320360.db2.gz LOWFHERFWUGVOM-GFCCVEGCSA-N 1 1 311.345 2.797 20 5 DFBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000568800325 430394037 /nfs/dbraw/zinc/39/40/37/430394037.db2.gz LNNBVHKXYSMQGA-AWEZNQCLSA-N 1 1 319.405 2.884 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000568800325 430394041 /nfs/dbraw/zinc/39/40/41/430394041.db2.gz LNNBVHKXYSMQGA-AWEZNQCLSA-N 1 1 319.405 2.884 20 5 DFBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)[N@@H+]1C ZINC000583918495 430440171 /nfs/dbraw/zinc/44/01/71/430440171.db2.gz FOBYIZGSUPHNPL-DTORHVGOSA-N 1 1 318.299 2.537 20 5 DFBDMO C[N@@H+]1CCO[C@@H](CSc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000569599310 430470288 /nfs/dbraw/zinc/47/02/88/430470288.db2.gz GCZOKCRVISWKNM-LLVKDONJSA-N 1 1 319.386 2.566 20 5 DFBDMO C[N@H+]1CCO[C@@H](CSc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000569599310 430470289 /nfs/dbraw/zinc/47/02/89/430470289.db2.gz GCZOKCRVISWKNM-LLVKDONJSA-N 1 1 319.386 2.566 20 5 DFBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000570838990 430582216 /nfs/dbraw/zinc/58/22/16/430582216.db2.gz QMZSRJJSSYBGBD-HNNXBMFYSA-N 1 1 319.405 2.850 20 5 DFBDMO C[C@H]1CSCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000571248135 430614817 /nfs/dbraw/zinc/61/48/17/430614817.db2.gz KWOQOTIMYJMNDQ-SNVBAGLBSA-N 1 1 306.391 2.656 20 5 DFBDMO C[C@H]1CSCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000571248135 430614820 /nfs/dbraw/zinc/61/48/20/430614820.db2.gz KWOQOTIMYJMNDQ-SNVBAGLBSA-N 1 1 306.391 2.656 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358750824 277939564 /nfs/dbraw/zinc/93/95/64/277939564.db2.gz HWANJKGPUKNYQH-CQSZACIVSA-N 1 1 316.361 2.504 20 5 DFBDMO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571514266 430633289 /nfs/dbraw/zinc/63/32/89/430633289.db2.gz IWRYZSRWMAXYDM-HUUCEWRRSA-N 1 1 321.421 2.874 20 5 DFBDMO CC(C)c1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000555340487 430665774 /nfs/dbraw/zinc/66/57/74/430665774.db2.gz GFFPQHLYNATEQT-CYBMUJFWSA-N 1 1 319.405 2.790 20 5 DFBDMO COc1cccc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000185581691 278016831 /nfs/dbraw/zinc/01/68/31/278016831.db2.gz DLYGNYSGOVGUDP-OLZOCXBDSA-N 1 1 305.378 2.524 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770071 279036134 /nfs/dbraw/zinc/03/61/34/279036134.db2.gz OTSYCICUKFOTAZ-VFADXPBXSA-N 1 1 303.406 2.882 20 5 DFBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370044567 280017193 /nfs/dbraw/zinc/01/71/93/280017193.db2.gz FBVKUARQRZSLAA-AAEUAGOBSA-N 1 1 318.352 2.845 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000182853073 281020582 /nfs/dbraw/zinc/02/05/82/281020582.db2.gz DXRUTTYWNZIMQE-CQSZACIVSA-N 1 1 320.389 2.846 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC000182853073 281020585 /nfs/dbraw/zinc/02/05/85/281020585.db2.gz DXRUTTYWNZIMQE-CQSZACIVSA-N 1 1 320.389 2.846 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000174972981 281191174 /nfs/dbraw/zinc/19/11/74/281191174.db2.gz XFDSEVWFYSEBRR-NWDGAFQWSA-N 1 1 323.418 2.664 20 5 DFBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153696795 289056301 /nfs/dbraw/zinc/05/63/01/289056301.db2.gz QVRKODYGVFRXGD-KGLIPLIRSA-N 1 1 321.421 2.986 20 5 DFBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000153696795 289056307 /nfs/dbraw/zinc/05/63/07/289056307.db2.gz QVRKODYGVFRXGD-KGLIPLIRSA-N 1 1 321.421 2.986 20 5 DFBDMO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000412877185 289109596 /nfs/dbraw/zinc/10/95/96/289109596.db2.gz LTEROSRRNGCXEF-ZDUSSCGKSA-N 1 1 305.378 2.542 20 5 DFBDMO COC[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284573951 293236223 /nfs/dbraw/zinc/23/62/23/293236223.db2.gz OPYIJOGZZWFKBD-SWLSCSKDSA-N 1 1 308.378 2.782 20 5 DFBDMO COC[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284573951 293236224 /nfs/dbraw/zinc/23/62/24/293236224.db2.gz OPYIJOGZZWFKBD-SWLSCSKDSA-N 1 1 308.378 2.782 20 5 DFBDMO COc1cccc(N2CC[N@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295020665 295305703 /nfs/dbraw/zinc/30/57/03/295305703.db2.gz UTGKCQIRRCWCIX-LBPRGKRZSA-N 1 1 305.378 2.524 20 5 DFBDMO COc1ccc(C[N@@H+](C)CCCn2ccnc2C)cc1[N+](=O)[O-] ZINC000159219636 295374145 /nfs/dbraw/zinc/37/41/45/295374145.db2.gz HKBMCUMHJOVZDK-UHFFFAOYSA-N 1 1 318.377 2.630 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000438326820 297087892 /nfs/dbraw/zinc/08/78/92/297087892.db2.gz KUIVYBYGDOSFLC-UHFFFAOYSA-N 1 1 322.405 2.692 20 5 DFBDMO CC(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438488683 297095369 /nfs/dbraw/zinc/09/53/69/297095369.db2.gz HRQHDBOYRMUTIO-QWHCGFSZSA-N 1 1 305.378 2.900 20 5 DFBDMO CC(C)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000438513533 297096821 /nfs/dbraw/zinc/09/68/21/297096821.db2.gz ZXPYNXLPMLVMMB-OLZOCXBDSA-N 1 1 305.378 2.900 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441237306 297177121 /nfs/dbraw/zinc/17/71/21/297177121.db2.gz RYZJITOSPJNVGS-HUUCEWRRSA-N 1 1 320.389 2.722 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441292169 297178885 /nfs/dbraw/zinc/17/88/85/297178885.db2.gz XZQFEFAXBHFLCJ-ZIAGYGMSSA-N 1 1 320.389 2.852 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441292164 297178912 /nfs/dbraw/zinc/17/89/12/297178912.db2.gz XZQFEFAXBHFLCJ-KBPBESRZSA-N 1 1 320.389 2.852 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000443954522 297229049 /nfs/dbraw/zinc/22/90/49/297229049.db2.gz CSEQEBLNFCIIQT-WCQYABFASA-N 1 1 320.393 2.816 20 5 DFBDMO CC(C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444752048 297249182 /nfs/dbraw/zinc/24/91/82/297249182.db2.gz GYEWTMDWELRVNO-CYBMUJFWSA-N 1 1 305.378 2.901 20 5 DFBDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444752048 297249183 /nfs/dbraw/zinc/24/91/83/297249183.db2.gz GYEWTMDWELRVNO-CYBMUJFWSA-N 1 1 305.378 2.901 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454318388 298154480 /nfs/dbraw/zinc/15/44/80/298154480.db2.gz HGXDIOXRPTUGFW-ZDUSSCGKSA-N 1 1 306.366 2.543 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454318386 298154547 /nfs/dbraw/zinc/15/45/47/298154547.db2.gz HGXDIOXRPTUGFW-CYBMUJFWSA-N 1 1 306.366 2.543 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000455158209 298310622 /nfs/dbraw/zinc/31/06/22/298310622.db2.gz DTJDVIDMEKYDJZ-CYBMUJFWSA-N 1 1 320.393 2.851 20 5 DFBDMO COC(=O)[C@H](CC(C)C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000510607601 300246747 /nfs/dbraw/zinc/24/67/47/300246747.db2.gz HUGPKXSFNAZCHC-HNNXBMFYSA-N 1 1 308.378 2.657 20 5 DFBDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000510607601 300246749 /nfs/dbraw/zinc/24/67/49/300246749.db2.gz HUGPKXSFNAZCHC-HNNXBMFYSA-N 1 1 308.378 2.657 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000515388402 300304498 /nfs/dbraw/zinc/30/44/98/300304498.db2.gz ATIKAWJITVONAJ-MLGOLLRUSA-N 1 1 301.390 2.656 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000515388402 300304500 /nfs/dbraw/zinc/30/45/00/300304500.db2.gz ATIKAWJITVONAJ-MLGOLLRUSA-N 1 1 301.390 2.656 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267413806 300314568 /nfs/dbraw/zinc/31/45/68/300314568.db2.gz QZKOBSGYLHUPKF-WDEREUQCSA-N 1 1 323.780 2.557 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000517176934 300385768 /nfs/dbraw/zinc/38/57/68/300385768.db2.gz URIPZEYUNJLCQV-MRXNPFEDSA-N 1 1 305.378 2.526 20 5 DFBDMO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000521460437 300528289 /nfs/dbraw/zinc/52/82/89/300528289.db2.gz AQEYSZWYDJIANI-CYBMUJFWSA-N 1 1 316.313 2.752 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000532246608 301139427 /nfs/dbraw/zinc/13/94/27/301139427.db2.gz XKDWHAAZUGQIIL-DGCLKSJQSA-N 1 1 300.362 2.834 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000532246610 301139649 /nfs/dbraw/zinc/13/96/49/301139649.db2.gz XKDWHAAZUGQIIL-YPMHNXCESA-N 1 1 300.362 2.834 20 5 DFBDMO Cc1nc(N2CCC(C[N@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000532369473 301148102 /nfs/dbraw/zinc/14/81/02/301148102.db2.gz ABSSSNIJHPWGAN-UHFFFAOYSA-N 1 1 306.410 2.855 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000532582142 301160905 /nfs/dbraw/zinc/16/09/05/301160905.db2.gz NMZJQDNXLLQAAO-NWDGAFQWSA-N 1 1 319.361 2.623 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000532971892 301179333 /nfs/dbraw/zinc/17/93/33/301179333.db2.gz MXFGQOBJMMZJEP-NEPJUHHUSA-N 1 1 305.378 2.962 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533429458 301201054 /nfs/dbraw/zinc/20/10/54/301201054.db2.gz BWVSFYWPEVLCPJ-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533429458 301201056 /nfs/dbraw/zinc/20/10/56/301201056.db2.gz BWVSFYWPEVLCPJ-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000534272968 301223106 /nfs/dbraw/zinc/22/31/06/301223106.db2.gz YQPBBUXWNJKPFC-CHWSQXEVSA-N 1 1 312.373 2.816 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1NCc1c[nH+]c2n1CCCC2 ZINC000563425632 302071666 /nfs/dbraw/zinc/07/16/66/302071666.db2.gz IFRYLKYZFABSPA-UHFFFAOYSA-N 1 1 302.334 2.748 20 5 DFBDMO C[N@@H+]1CCO[C@@H](CSCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000566215237 302267982 /nfs/dbraw/zinc/26/79/82/302267982.db2.gz ZQCJRTQYPJKLOX-GFCCVEGCSA-N 1 1 316.810 2.812 20 5 DFBDMO C[N@H+]1CCO[C@@H](CSCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000566215237 302267983 /nfs/dbraw/zinc/26/79/83/302267983.db2.gz ZQCJRTQYPJKLOX-GFCCVEGCSA-N 1 1 316.810 2.812 20 5 DFBDMO Cc1ccnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000292231227 302272490 /nfs/dbraw/zinc/27/24/90/302272490.db2.gz IVXXSVUNRJXMSO-LBPRGKRZSA-N 1 1 304.394 2.609 20 5 DFBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000566320905 302279355 /nfs/dbraw/zinc/27/93/55/302279355.db2.gz XYBJVAYMALFNTR-LBPRGKRZSA-N 1 1 314.345 2.609 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473493 302290649 /nfs/dbraw/zinc/29/06/49/302290649.db2.gz BNOGYLNJMBOZCO-BBRMVZONSA-N 1 1 303.406 2.904 20 5 DFBDMO CC[N@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473494 302290749 /nfs/dbraw/zinc/29/07/49/302290749.db2.gz BNOGYLNJMBOZCO-CJNGLKHVSA-N 1 1 303.406 2.904 20 5 DFBDMO CCOc1cccc(N2CC[C@@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000183153609 316131811 /nfs/dbraw/zinc/13/18/11/316131811.db2.gz ROGSUUHTAGEQIM-ZDUSSCGKSA-N 1 1 307.394 2.772 20 5 DFBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346348810 316318412 /nfs/dbraw/zinc/31/84/12/316318412.db2.gz YYQNVRZPZQYJSX-FNOHHLHBSA-N 1 1 306.362 2.882 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449558865 317043995 /nfs/dbraw/zinc/04/39/95/317043995.db2.gz XDDIFUDHRMMAIK-OAGGEKHMSA-N 1 1 304.390 2.886 20 5 DFBDMO Cc1cccc(NCCNc2c3ccccc3ncc2[N+](=O)[O-])[nH+]1 ZINC000488083324 317366312 /nfs/dbraw/zinc/36/63/12/317366312.db2.gz PSIKQHUNYDRJHW-UHFFFAOYSA-N 1 1 323.356 2.792 20 5 DFBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)C2 ZINC000558201711 317879666 /nfs/dbraw/zinc/87/96/66/317879666.db2.gz XHYQJMNLFUEFQY-GFCCVEGCSA-N 1 1 315.377 2.911 20 5 DFBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000575134270 318066194 /nfs/dbraw/zinc/06/61/94/318066194.db2.gz TVQMHLSIUKYRQP-NSHDSACASA-N 1 1 320.780 2.971 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576204915 318110425 /nfs/dbraw/zinc/11/04/25/318110425.db2.gz KXDAUZPZGGZXGU-STQMWFEESA-N 1 1 307.394 2.545 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000578761489 318283801 /nfs/dbraw/zinc/28/38/01/318283801.db2.gz HTWLFJQTDWBCRF-OAHLLOKOSA-N 1 1 313.357 2.988 20 5 DFBDMO C[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000578828982 318287653 /nfs/dbraw/zinc/28/76/53/318287653.db2.gz CVEKKSZQEIRBTL-ZDUSSCGKSA-N 1 1 319.405 2.689 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1N[C@H]1CC[N@H+]3CCCC[C@H]13)CCCC2 ZINC000579468070 318332489 /nfs/dbraw/zinc/33/24/89/318332489.db2.gz SGOKKBOJENPFNF-LSDHHAIUSA-N 1 1 316.405 2.907 20 5 DFBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000579907052 318361361 /nfs/dbraw/zinc/36/13/61/318361361.db2.gz WQIMNSXOUJALDE-IUODEOHRSA-N 1 1 317.389 2.707 20 5 DFBDMO Cc1c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000292971729 533847952 /nfs/dbraw/zinc/84/79/52/533847952.db2.gz MHVIPPSOTUTGSX-QGZVFWFLSA-N 1 1 303.406 2.821 20 5 DFBDMO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000299724014 534148278 /nfs/dbraw/zinc/14/82/78/534148278.db2.gz TXVOWDNCVVIGFM-LLVKDONJSA-N 1 1 315.329 2.627 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000365190534 520700999 /nfs/dbraw/zinc/70/09/99/520700999.db2.gz OXIURBNITMWUHW-CABCVRRESA-N 1 1 320.389 2.852 20 5 DFBDMO Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000154786516 525293348 /nfs/dbraw/zinc/29/33/48/525293348.db2.gz QNEOGCVJGXPSMF-HZMBPMFUSA-N 1 1 313.785 2.688 20 5 DFBDMO Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000154786516 525293353 /nfs/dbraw/zinc/29/33/53/525293353.db2.gz QNEOGCVJGXPSMF-HZMBPMFUSA-N 1 1 313.785 2.688 20 5 DFBDMO C[C@@H](c1cccnc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019653 526122191 /nfs/dbraw/zinc/12/21/91/526122191.db2.gz ZETBJBSRMGFHQX-JSGCOSHPSA-N 1 1 301.350 2.584 20 5 DFBDMO Cc1ccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000364245039 526141656 /nfs/dbraw/zinc/14/16/56/526141656.db2.gz PDXLWIJMCBXIAN-UKRRQHHQSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1sc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000157346718 526872565 /nfs/dbraw/zinc/87/25/65/526872565.db2.gz DZSCEVQCFLLKOB-RYUDHWBXSA-N 1 1 323.418 2.521 20 5 DFBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000294790359 527228741 /nfs/dbraw/zinc/22/87/41/527228741.db2.gz LXHSMTVFFWHFGJ-ZDUSSCGKSA-N 1 1 319.405 2.708 20 5 DFBDMO CC(=O)c1ccc(NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000302182595 527317346 /nfs/dbraw/zinc/31/73/46/527317346.db2.gz ZHFPPMMUMJDZNM-UHFFFAOYSA-N 1 1 303.362 2.861 20 5 DFBDMO CC(=O)c1ccc(NCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000302182595 527317350 /nfs/dbraw/zinc/31/73/50/527317350.db2.gz ZHFPPMMUMJDZNM-UHFFFAOYSA-N 1 1 303.362 2.861 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000158031391 527350887 /nfs/dbraw/zinc/35/08/87/527350887.db2.gz IJLRDQSCOIQCED-QWHCGFSZSA-N 1 1 309.797 2.965 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000365080091 527371958 /nfs/dbraw/zinc/37/19/58/527371958.db2.gz JZMANTVSJMNZKR-HNNXBMFYSA-N 1 1 316.361 2.507 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000365079973 527391633 /nfs/dbraw/zinc/39/16/33/527391633.db2.gz GCGGXZVJFHRRNH-OAHLLOKOSA-N 1 1 316.361 2.507 20 5 DFBDMO CCOC(=O)c1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000296327971 528170199 /nfs/dbraw/zinc/17/01/99/528170199.db2.gz HMZLAWYFYKWQOO-UHFFFAOYSA-N 1 1 317.345 2.698 20 5 DFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362604465 535094125 /nfs/dbraw/zinc/09/41/25/535094125.db2.gz UBATZMKYAKVZGS-CZUORRHYSA-N 1 1 319.405 2.530 20 5 DFBDMO CN(C(=O)C[N@@H+](C)C(C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000050989037 425882319 /nfs/dbraw/zinc/88/23/19/425882319.db2.gz PJEFSGCEMIRNIP-UHFFFAOYSA-N 1 1 317.389 2.678 20 5 DFBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000065962741 398352736 /nfs/dbraw/zinc/35/27/36/398352736.db2.gz UXIRXXMWPXFSQC-UHFFFAOYSA-N 1 1 309.366 2.520 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000066203181 398362547 /nfs/dbraw/zinc/36/25/47/398362547.db2.gz UKTXKKUJTBWOTM-GFCCVEGCSA-N 1 1 308.382 2.755 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000066203179 398362737 /nfs/dbraw/zinc/36/27/37/398362737.db2.gz SRSYPKWFTWEQJY-GFCCVEGCSA-N 1 1 308.382 2.755 20 5 DFBDMO COCC(C)(C)[NH+]1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596280568 398375546 /nfs/dbraw/zinc/37/55/46/398375546.db2.gz HLOGIIWOUPNZSF-UHFFFAOYSA-N 1 1 313.423 2.512 20 5 DFBDMO CCCCC[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173496 398384301 /nfs/dbraw/zinc/38/43/01/398384301.db2.gz AVMILNONWHFRGO-UHFFFAOYSA-N 1 1 307.350 2.721 20 5 DFBDMO CC(C)C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552299 185302757 /nfs/dbraw/zinc/30/27/57/185302757.db2.gz HJPXSPRSRROLAC-AWEZNQCLSA-N 1 1 307.394 2.515 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC(C)(C)C1 ZINC000083417279 398387168 /nfs/dbraw/zinc/38/71/68/398387168.db2.gz XXQUOJCFWZCEEO-LLVKDONJSA-N 1 1 323.418 2.749 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCSC(C)(C)C1 ZINC000083417279 398387169 /nfs/dbraw/zinc/38/71/69/398387169.db2.gz XXQUOJCFWZCEEO-LLVKDONJSA-N 1 1 323.418 2.749 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000596337391 398389026 /nfs/dbraw/zinc/38/90/26/398389026.db2.gz WHWZRARWJVAAON-LBPRGKRZSA-N 1 1 321.377 2.666 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000592144550 398391026 /nfs/dbraw/zinc/39/10/26/398391026.db2.gz MOQSOVUCWIBCKS-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000014925734 398392322 /nfs/dbraw/zinc/39/23/22/398392322.db2.gz CVZSLFVFCKCJKU-HNNXBMFYSA-N 1 1 314.341 2.867 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C(C)C)C2)cc1[N+](=O)[O-] ZINC000092706899 185334709 /nfs/dbraw/zinc/33/47/09/185334709.db2.gz SOPYBLGNDUAOAW-OAHLLOKOSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)cc1[N+](=O)[O-] ZINC000092706899 185334710 /nfs/dbraw/zinc/33/47/10/185334710.db2.gz SOPYBLGNDUAOAW-OAHLLOKOSA-N 1 1 319.405 2.640 20 5 DFBDMO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000015304777 398394737 /nfs/dbraw/zinc/39/47/37/398394737.db2.gz CSJNUADKEDAPMI-UHFFFAOYSA-N 1 1 314.341 2.998 20 5 DFBDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000015304777 398394742 /nfs/dbraw/zinc/39/47/42/398394742.db2.gz CSJNUADKEDAPMI-UHFFFAOYSA-N 1 1 314.341 2.998 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000286623872 219090028 /nfs/dbraw/zinc/09/00/28/219090028.db2.gz SDGUFMMQDBNKMY-AAEUAGOBSA-N 1 1 318.295 2.588 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000286623872 219090030 /nfs/dbraw/zinc/09/00/30/219090030.db2.gz SDGUFMMQDBNKMY-AAEUAGOBSA-N 1 1 318.295 2.588 20 5 DFBDMO CC[N@H+](CCSC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000592201293 398401340 /nfs/dbraw/zinc/40/13/40/398401340.db2.gz FDGQIIWZAUGZCT-UHFFFAOYSA-N 1 1 322.390 2.830 20 5 DFBDMO CC[N@@H+](CCSC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000592201293 398401343 /nfs/dbraw/zinc/40/13/43/398401343.db2.gz FDGQIIWZAUGZCT-UHFFFAOYSA-N 1 1 322.390 2.830 20 5 DFBDMO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592210813 398403152 /nfs/dbraw/zinc/40/31/52/398403152.db2.gz CDVRCDVAXQDRBF-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO CCOc1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596427346 398409721 /nfs/dbraw/zinc/40/97/21/398409721.db2.gz FVRYEUBAMOOOPB-STQMWFEESA-N 1 1 323.393 2.515 20 5 DFBDMO CCOc1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596427346 398409726 /nfs/dbraw/zinc/40/97/26/398409726.db2.gz FVRYEUBAMOOOPB-STQMWFEESA-N 1 1 323.393 2.515 20 5 DFBDMO CCOc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596427344 398409906 /nfs/dbraw/zinc/40/99/06/398409906.db2.gz FVRYEUBAMOOOPB-QWHCGFSZSA-N 1 1 323.393 2.515 20 5 DFBDMO CCOc1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596427344 398409913 /nfs/dbraw/zinc/40/99/13/398409913.db2.gz FVRYEUBAMOOOPB-QWHCGFSZSA-N 1 1 323.393 2.515 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596435557 398411142 /nfs/dbraw/zinc/41/11/42/398411142.db2.gz AOUAQHPNGICIKJ-CYBMUJFWSA-N 1 1 306.366 2.543 20 5 DFBDMO CC(C)(C)C(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000067229194 398424213 /nfs/dbraw/zinc/42/42/13/398424213.db2.gz XHZGBOVRMZVUPV-UHFFFAOYSA-N 1 1 319.405 2.675 20 5 DFBDMO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000067229194 398424215 /nfs/dbraw/zinc/42/42/15/398424215.db2.gz XHZGBOVRMZVUPV-UHFFFAOYSA-N 1 1 319.405 2.675 20 5 DFBDMO CO[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000253341771 398421346 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398704833 /nfs/dbraw/zinc/70/48/33/398704833.db2.gz QATKMQLYSZOZJR-LBPRGKRZSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597856070 398705142 /nfs/dbraw/zinc/70/51/42/398705142.db2.gz WEDHNMHJUPMRPB-ZDUSSCGKSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597861467 398705772 /nfs/dbraw/zinc/70/57/72/398705772.db2.gz UUXQFISVVPXABD-CYBMUJFWSA-N 1 1 319.405 2.814 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000174642633 198363354 /nfs/dbraw/zinc/36/33/54/198363354.db2.gz JMUSVMCVMQOGGC-UHFFFAOYSA-N 1 1 318.377 2.538 20 5 DFBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174864766 198394438 /nfs/dbraw/zinc/39/44/38/198394438.db2.gz FPTCJTYNLNUWRZ-ZFWWWQNUSA-N 1 1 300.362 2.669 20 5 DFBDMO Cc1ccc([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174874072 198396188 /nfs/dbraw/zinc/39/61/88/198396188.db2.gz MFGWRIISXICGNG-CQSZACIVSA-N 1 1 304.350 2.920 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000174812890 198388722 /nfs/dbraw/zinc/38/87/22/198388722.db2.gz DRJSXYLEGBIHNM-UHFFFAOYSA-N 1 1 316.336 2.720 20 5 DFBDMO C[N@@H+](CCCCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174822781 198389869 /nfs/dbraw/zinc/38/98/69/198389869.db2.gz FFUGTUYHISTLOP-UHFFFAOYSA-N 1 1 302.378 2.746 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108494627 398710868 /nfs/dbraw/zinc/71/08/68/398710868.db2.gz FMDGUARDWIREEE-CYBMUJFWSA-N 1 1 318.377 2.509 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000591041353 398718764 /nfs/dbraw/zinc/71/87/64/398718764.db2.gz SSYKMVHVGJMJKB-KRWDZBQOSA-N 1 1 320.389 2.865 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591062118 398720425 /nfs/dbraw/zinc/72/04/25/398720425.db2.gz WHWMTHRLOSPHHV-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597945554 398725958 /nfs/dbraw/zinc/72/59/58/398725958.db2.gz IAUNVLWSCVTROE-AWEZNQCLSA-N 1 1 319.405 2.884 20 5 DFBDMO CCOc1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc1[N+](=O)[O-] ZINC000276984283 213220873 /nfs/dbraw/zinc/22/08/73/213220873.db2.gz YUYGTQJWNROPEE-CQSZACIVSA-N 1 1 320.389 2.994 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591149542 398732331 /nfs/dbraw/zinc/73/23/31/398732331.db2.gz FTQCOMYEHZHZRF-KCJUWKMLSA-N 1 1 318.299 2.761 20 5 DFBDMO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000594051146 398732392 /nfs/dbraw/zinc/73/23/92/398732392.db2.gz MVQQOOUWLGJMGI-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591149548 398732492 /nfs/dbraw/zinc/73/24/92/398732492.db2.gz GJXLGSHBLPBEGR-ABAIWWIYSA-N 1 1 300.362 2.895 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332533391 235067527 /nfs/dbraw/zinc/06/75/27/235067527.db2.gz WUDBDDLRBBRUPF-AWEZNQCLSA-N 1 1 317.389 2.522 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332533391 235067530 /nfs/dbraw/zinc/06/75/30/235067530.db2.gz WUDBDDLRBBRUPF-AWEZNQCLSA-N 1 1 317.389 2.522 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000276980918 213215989 /nfs/dbraw/zinc/21/59/89/213215989.db2.gz YGHXIZXXFDJZNX-AWEZNQCLSA-N 1 1 308.378 2.852 20 5 DFBDMO C[C@H](O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000594061086 398735458 /nfs/dbraw/zinc/73/54/58/398735458.db2.gz BKXLXGOXPFWDLL-VIFPVBQESA-N 1 1 318.295 2.959 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000047119437 398737145 /nfs/dbraw/zinc/73/71/45/398737145.db2.gz RKNUPMQZUYPYKK-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCO)CCc2ccccc2)c1 ZINC000112698405 398735906 /nfs/dbraw/zinc/73/59/06/398735906.db2.gz RQHHNNUIVOQBAJ-UHFFFAOYSA-N 1 1 300.358 2.632 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594202871 398764852 /nfs/dbraw/zinc/76/48/52/398764852.db2.gz UEWLRVUPDBGSKI-HZPDHXFCSA-N 1 1 317.389 2.650 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000081361401 192256420 /nfs/dbraw/zinc/25/64/20/192256420.db2.gz TUJNPNLNLFNSKJ-AWEZNQCLSA-N 1 1 319.405 2.707 20 5 DFBDMO COC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000134216832 283177238 /nfs/dbraw/zinc/17/72/38/283177238.db2.gz YCEAYYVSLFELJC-UHFFFAOYSA-N 1 1 306.362 2.555 20 5 DFBDMO COC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000134216832 283177240 /nfs/dbraw/zinc/17/72/40/283177240.db2.gz YCEAYYVSLFELJC-UHFFFAOYSA-N 1 1 306.362 2.555 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000120774619 398784060 /nfs/dbraw/zinc/78/40/60/398784060.db2.gz ANBKLSUJAWGWAQ-CHWSQXEVSA-N 1 1 322.409 2.598 20 5 DFBDMO CCOc1cc(C[N@@H+](CC)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000276884771 213154911 /nfs/dbraw/zinc/15/49/11/213154911.db2.gz JERBNUJNJJIAGC-AWEZNQCLSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075590041 398812069 /nfs/dbraw/zinc/81/20/69/398812069.db2.gz HLUBZYJUFROPLL-QWHCGFSZSA-N 1 1 306.362 2.931 20 5 DFBDMO CCOC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075616808 398813244 /nfs/dbraw/zinc/81/32/44/398813244.db2.gz TUZNUBWWSRZHCW-GFCCVEGCSA-N 1 1 306.362 2.931 20 5 DFBDMO Cc1ncsc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179535063 199051480 /nfs/dbraw/zinc/05/14/80/199051480.db2.gz GJMFTDPSKWSYCM-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO COc1cc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591123 398825730 /nfs/dbraw/zinc/82/57/30/398825730.db2.gz FGIDNHFCWLQLJD-RWMBFGLXSA-N 1 1 323.393 2.513 20 5 DFBDMO COc1cc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591123 398825732 /nfs/dbraw/zinc/82/57/32/398825732.db2.gz FGIDNHFCWLQLJD-RWMBFGLXSA-N 1 1 323.393 2.513 20 5 DFBDMO COC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000594605265 398829559 /nfs/dbraw/zinc/82/95/59/398829559.db2.gz JCWXOPSMXGPFIN-UHFFFAOYSA-N 1 1 304.302 2.573 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594604439 398830079 /nfs/dbraw/zinc/83/00/79/398830079.db2.gz ZFCPAYGKPDXRDW-CHWSQXEVSA-N 1 1 307.398 2.548 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000076114011 398841253 /nfs/dbraw/zinc/84/12/53/398841253.db2.gz VWKFPDKNSDZREV-PHIMTYICSA-N 1 1 302.334 2.733 20 5 DFBDMO C[C@@]1(O)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180193207 199129096 /nfs/dbraw/zinc/12/90/96/199129096.db2.gz XDFMGNYDVUSPOU-MRXNPFEDSA-N 1 1 302.330 2.812 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000052689273 398849189 /nfs/dbraw/zinc/84/91/89/398849189.db2.gz ZLYFWBNEKQGTIC-KBMXLJTQSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000052689273 398849190 /nfs/dbraw/zinc/84/91/90/398849190.db2.gz ZLYFWBNEKQGTIC-KBMXLJTQSA-N 1 1 318.373 2.901 20 5 DFBDMO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594924307 398872394 /nfs/dbraw/zinc/87/23/94/398872394.db2.gz IZEYCUSKJUFDQL-UHFFFAOYSA-N 1 1 314.267 2.637 20 5 DFBDMO CCOc1ccc([C@H](C)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000153492306 283371238 /nfs/dbraw/zinc/37/12/38/283371238.db2.gz UOSMFSXVTVBKJL-ZDUSSCGKSA-N 1 1 309.410 2.984 20 5 DFBDMO CCOc1ccc([C@H](C)[NH2+]CCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000153492306 283371240 /nfs/dbraw/zinc/37/12/40/283371240.db2.gz UOSMFSXVTVBKJL-ZDUSSCGKSA-N 1 1 309.410 2.984 20 5 DFBDMO CC[N@@H+]1CCC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019506 398893436 /nfs/dbraw/zinc/89/34/36/398893436.db2.gz XCYPVBULHVBBQV-OLZOCXBDSA-N 1 1 307.394 2.738 20 5 DFBDMO CC[N@H+]1CCC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019506 398893440 /nfs/dbraw/zinc/89/34/40/398893440.db2.gz XCYPVBULHVBBQV-OLZOCXBDSA-N 1 1 307.394 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000595039863 398895896 /nfs/dbraw/zinc/89/58/96/398895896.db2.gz HALYLZJDMZGFQN-LBPRGKRZSA-N 1 1 307.394 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)CC(F)(F)F ZINC000595035010 398895992 /nfs/dbraw/zinc/89/59/92/398895992.db2.gz FZHZTCJQGXBPHR-IUCAKERBSA-N 1 1 322.283 2.567 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000595046538 398897185 /nfs/dbraw/zinc/89/71/85/398897185.db2.gz AIDWWIANQBSRRX-STQMWFEESA-N 1 1 309.410 2.983 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000595053407 398898288 /nfs/dbraw/zinc/89/82/88/398898288.db2.gz YAKXZIKPKFLXQO-QWRGUYRKSA-N 1 1 316.361 2.535 20 5 DFBDMO CCC[N@H+]1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095310 398904436 /nfs/dbraw/zinc/90/44/36/398904436.db2.gz IHYYQJDEVKUTKH-OLZOCXBDSA-N 1 1 307.394 2.738 20 5 DFBDMO CCCN1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095310 398904442 /nfs/dbraw/zinc/90/44/42/398904442.db2.gz IHYYQJDEVKUTKH-OLZOCXBDSA-N 1 1 307.394 2.738 20 5 DFBDMO CCC[N@@H+](CC(=O)OC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470173706 299293331 /nfs/dbraw/zinc/29/33/31/299293331.db2.gz MRGZZDCHCGFSEC-LCYFTJDESA-N 1 1 306.362 2.883 20 5 DFBDMO CCC[N@H+](CC(=O)OC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470173706 299293335 /nfs/dbraw/zinc/29/33/35/299293335.db2.gz MRGZZDCHCGFSEC-LCYFTJDESA-N 1 1 306.362 2.883 20 5 DFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000187336988 200097645 /nfs/dbraw/zinc/09/76/45/200097645.db2.gz PVJSFAKDUKJBAT-MRXNPFEDSA-N 1 1 322.405 2.645 20 5 DFBDMO CC[C@]1(CO)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000187633996 200137671 /nfs/dbraw/zinc/13/76/71/200137671.db2.gz HQSXFPFXHBEIIY-INIZCTEOSA-N 1 1 319.361 2.721 20 5 DFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000187633996 200137673 /nfs/dbraw/zinc/13/76/73/200137673.db2.gz HQSXFPFXHBEIIY-INIZCTEOSA-N 1 1 319.361 2.721 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599058226 398914300 /nfs/dbraw/zinc/91/43/00/398914300.db2.gz GBSCJYUCMPCRFF-CYBMUJFWSA-N 1 1 323.356 2.870 20 5 DFBDMO C[C@H]1CCCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000187906815 200174860 /nfs/dbraw/zinc/17/48/60/200174860.db2.gz QVQSKJIEEMYJPC-ZDUSSCGKSA-N 1 1 305.378 2.680 20 5 DFBDMO CO[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)[C@@H]1CCOC1 ZINC000595296072 398917522 /nfs/dbraw/zinc/91/75/22/398917522.db2.gz XDFBIWPONCOIJF-NVXWUHKLSA-N 1 1 322.405 2.857 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000599092156 398919987 /nfs/dbraw/zinc/91/99/87/398919987.db2.gz SDZIOOKBANRFGR-XJKSGUPXSA-N 1 1 312.373 2.673 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595323299 398922492 /nfs/dbraw/zinc/92/24/92/398922492.db2.gz MHKAPYXEDZNGBE-CQSZACIVSA-N 1 1 317.345 2.935 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595323299 398922494 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2.910 20 5 DFBDMO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000195509829 201397250 /nfs/dbraw/zinc/39/72/50/201397250.db2.gz JKCCNZDYUCRIHP-UHFFFAOYSA-N 1 1 319.390 2.523 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600207620 399005764 /nfs/dbraw/zinc/00/57/64/399005764.db2.gz MKVSYXDCVLFMLS-PIYFCAAOSA-N 1 1 320.414 2.593 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600207620 399005767 /nfs/dbraw/zinc/00/57/67/399005767.db2.gz MKVSYXDCVLFMLS-PIYFCAAOSA-N 1 1 320.414 2.593 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599553482 399013228 /nfs/dbraw/zinc/01/32/28/399013228.db2.gz WQEHRSYSAVYZJK-CABCVRRESA-N 1 1 308.403 2.944 20 5 DFBDMO O=C(C[NH+](C1CC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599598555 399025926 /nfs/dbraw/zinc/02/59/26/399025926.db2.gz GBYPMOVIKIJKJS-UHFFFAOYSA-N 1 1 309.753 2.814 20 5 DFBDMO COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000595671442 399027740 /nfs/dbraw/zinc/02/77/40/399027740.db2.gz GLUFFCLRIKTOOP-JSGCOSHPSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000595695838 399039231 /nfs/dbraw/zinc/03/92/31/399039231.db2.gz ICAVRHKSNWRXDY-WFASDCNBSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000595695505 399039257 /nfs/dbraw/zinc/03/92/57/399039257.db2.gz HZFDUKHFYLCKTR-WFASDCNBSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000595697606 399041198 /nfs/dbraw/zinc/04/11/98/399041198.db2.gz LYTSINIQWXPUQT-JSGCOSHPSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599674275 399056681 /nfs/dbraw/zinc/05/66/81/399056681.db2.gz AFOXLXOYYPJVBN-LRDDRELGSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@]12CCCC[C@H]1C[N@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599674275 399056687 /nfs/dbraw/zinc/05/66/87/399056687.db2.gz AFOXLXOYYPJVBN-LRDDRELGSA-N 1 1 303.362 2.798 20 5 DFBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000057714701 399057733 /nfs/dbraw/zinc/05/77/33/399057733.db2.gz QKKUXAAVHUTATR-SNVBAGLBSA-N 1 1 323.418 2.529 20 5 DFBDMO COC(=O)C1C[C@H](C)[NH+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000599687276 399064594 /nfs/dbraw/zinc/06/45/94/399064594.db2.gz AAZACKGTYXYYAI-QWRGUYRKSA-N 1 1 324.352 2.896 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NC(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000613705381 399065946 /nfs/dbraw/zinc/06/59/46/399065946.db2.gz XXLGQDSUILKEGX-UHFFFAOYSA-N 1 1 320.437 2.731 20 5 DFBDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599690673 399065984 /nfs/dbraw/zinc/06/59/84/399065984.db2.gz OUWIKRSYZKZCTC-YWVDXFKGSA-N 1 1 317.389 2.872 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807793 399091654 /nfs/dbraw/zinc/09/16/54/399091654.db2.gz ANEIMRZBMYXIIC-STQMWFEESA-N 1 1 303.362 2.574 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000595820416 399098019 /nfs/dbraw/zinc/09/80/19/399098019.db2.gz WUNKGDTZNDZNGB-UHFFFAOYSA-N 1 1 318.373 2.939 20 5 DFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1 ZINC000338349949 284103734 /nfs/dbraw/zinc/10/37/34/284103734.db2.gz BXXIQTSJOFUNJZ-UHFFFAOYSA-N 1 1 313.357 2.708 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1 ZINC000338349949 284103740 /nfs/dbraw/zinc/10/37/40/284103740.db2.gz BXXIQTSJOFUNJZ-UHFFFAOYSA-N 1 1 313.357 2.708 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn2ccccc2n1 ZINC000338349730 284103901 /nfs/dbraw/zinc/10/39/01/284103901.db2.gz GRNXKOGPTWRQMN-UHFFFAOYSA-N 1 1 310.357 2.917 20 5 DFBDMO Cc1noc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595831026 399104468 /nfs/dbraw/zinc/10/44/68/399104468.db2.gz KNJTZHFBVZSZGV-CYBMUJFWSA-N 1 1 303.318 2.545 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595831026 399104470 /nfs/dbraw/zinc/10/44/70/399104470.db2.gz KNJTZHFBVZSZGV-CYBMUJFWSA-N 1 1 303.318 2.545 20 5 DFBDMO COc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000275073610 212106061 /nfs/dbraw/zinc/10/60/61/212106061.db2.gz LTCNJRKYMBWUAD-OAHLLOKOSA-N 1 1 316.361 2.578 20 5 DFBDMO Cc1c(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)cccc1[N+](=O)[O-] ZINC000595852211 399113544 /nfs/dbraw/zinc/11/35/44/399113544.db2.gz ZJXVBCYHHOCTTB-HNNXBMFYSA-N 1 1 319.405 2.640 20 5 DFBDMO CSCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093509386 193261767 /nfs/dbraw/zinc/26/17/67/193261767.db2.gz YOEDAYGUIUMQDN-UHFFFAOYSA-N 1 1 320.418 2.790 20 5 DFBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000060361108 399125323 /nfs/dbraw/zinc/12/53/23/399125323.db2.gz QJTROASUXBEULU-OAHLLOKOSA-N 1 1 319.405 2.579 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770072 193303343 /nfs/dbraw/zinc/30/33/43/193303343.db2.gz OTSYCICUKFOTAZ-PMGBHYCQSA-N 1 1 303.406 2.882 20 5 DFBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900969 399127634 /nfs/dbraw/zinc/12/76/34/399127634.db2.gz QNIZTMLBZPAJPN-AWEZNQCLSA-N 1 1 319.405 2.512 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595913321 399132739 /nfs/dbraw/zinc/13/27/39/399132739.db2.gz RRXYMDBEBVJBAA-NSHDSACASA-N 1 1 321.377 2.520 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080464212 399149889 /nfs/dbraw/zinc/14/98/89/399149889.db2.gz VVGPNVLCUWHPON-OLZOCXBDSA-N 1 1 303.362 2.716 20 5 DFBDMO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CC[NH2+]CC1(F)F ZINC000420287123 296169679 /nfs/dbraw/zinc/16/96/79/296169679.db2.gz QUTVTMWUBUUMHU-SNVBAGLBSA-N 1 1 322.315 2.800 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[NH2+]CC2(F)F)c2ccncc21 ZINC000420294291 296170637 /nfs/dbraw/zinc/17/06/37/296170637.db2.gz YWQRDWYIQFDSSL-JTQLQIEISA-N 1 1 322.315 2.800 20 5 DFBDMO O=[N+]([O-])c1cc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000596059883 399158883 /nfs/dbraw/zinc/15/88/83/399158883.db2.gz VHODJXADPVWXJT-ZDUSSCGKSA-N 1 1 309.435 2.868 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000080645872 399166297 /nfs/dbraw/zinc/16/62/97/399166297.db2.gz ULVPXKZCKZFFLX-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000080640854 399165878 /nfs/dbraw/zinc/16/58/78/399165878.db2.gz VBXHTLLALDTNOZ-LLVKDONJSA-N 1 1 311.357 2.521 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618584828 399170027 /nfs/dbraw/zinc/17/00/27/399170027.db2.gz OIBGQNULLAIERF-HUUCEWRRSA-N 1 1 315.377 2.534 20 5 DFBDMO COc1cc(N[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])cc1C ZINC000596097916 399172219 /nfs/dbraw/zinc/17/22/19/399172219.db2.gz KBUFSDLVSRJRBH-LLVKDONJSA-N 1 1 302.334 2.535 20 5 DFBDMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282647830 217151083 /nfs/dbraw/zinc/15/10/83/217151083.db2.gz CEDNISCFHICWIT-AWEZNQCLSA-N 1 1 318.352 2.903 20 5 DFBDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614212190 399176580 /nfs/dbraw/zinc/17/65/80/399176580.db2.gz RWYOAKBTZNVFPP-LBPRGKRZSA-N 1 1 307.350 2.575 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000266062579 205068630 /nfs/dbraw/zinc/06/86/30/205068630.db2.gz AWLWDYZTMPCPEE-LBPRGKRZSA-N 1 1 323.368 2.680 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000266161428 205148155 /nfs/dbraw/zinc/14/81/55/205148155.db2.gz ZSOOVDWSQXTAMI-OLZOCXBDSA-N 1 1 301.350 2.584 20 5 DFBDMO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000600997272 399199190 /nfs/dbraw/zinc/19/91/90/399199190.db2.gz UXIFYAKTHNPIBO-RYUDHWBXSA-N 1 1 323.368 2.727 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000016475241 182045822 /nfs/dbraw/zinc/04/58/22/182045822.db2.gz VCWYVGRVQLRZIY-XQQFMLRXSA-N 1 1 305.378 2.900 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000063728133 399204180 /nfs/dbraw/zinc/20/41/80/399204180.db2.gz VHGHKGKHBCIVEG-UHFFFAOYSA-N 1 1 319.405 2.850 20 5 DFBDMO Cc1cc(C)c(COc2ccc([N+](=O)[O-])c(CO)c2)c(C)[nH+]1 ZINC000601080889 399220359 /nfs/dbraw/zinc/22/03/59/399220359.db2.gz IOOLRMUUWKROAX-UHFFFAOYSA-N 1 1 302.330 2.986 20 5 DFBDMO C[C@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)Cn1cccn1 ZINC000601105302 399227861 /nfs/dbraw/zinc/22/78/61/399227861.db2.gz YYAFVNSQLDATLY-GFCCVEGCSA-N 1 1 311.345 2.510 20 5 DFBDMO Cc1nc2n(c1C)CCN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000601111561 399230540 /nfs/dbraw/zinc/23/05/40/399230540.db2.gz RUSZFQQLBRXDMB-UHFFFAOYSA-N 1 1 323.356 2.977 20 5 DFBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601112784 399230895 /nfs/dbraw/zinc/23/08/95/399230895.db2.gz FGCAAONBXJAWHL-GFCCVEGCSA-N 1 1 319.340 2.729 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](CCO)C3)c2c1 ZINC000601113017 399231132 /nfs/dbraw/zinc/23/11/32/399231132.db2.gz AXAWDPFWAUPGEQ-GFCCVEGCSA-N 1 1 301.346 2.742 20 5 DFBDMO C[C@H]1CC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000601135796 399238206 /nfs/dbraw/zinc/23/82/06/399238206.db2.gz INJHPBAYMRMNTR-QWRGUYRKSA-N 1 1 301.346 2.933 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420945307 296216233 /nfs/dbraw/zinc/21/62/33/296216233.db2.gz RNEGYJIHMBJLDC-KBPBESRZSA-N 1 1 322.405 2.832 20 5 DFBDMO C[C@@H]1C[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@@H](C)O1 ZINC000601175982 399248531 /nfs/dbraw/zinc/24/85/31/399248531.db2.gz MILZCEFJGBPBFN-UTUOFQBUSA-N 1 1 301.346 2.790 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](O)CC23CCC3)ccc1[N+](=O)[O-] ZINC000420991307 296221337 /nfs/dbraw/zinc/22/13/37/296221337.db2.gz IPBFKZPIKVIQDB-CQSZACIVSA-N 1 1 320.389 2.873 20 5 DFBDMO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421000409 296222521 /nfs/dbraw/zinc/22/25/21/296222521.db2.gz COUOGUJDZBMHRF-NHYWBVRUSA-N 1 1 317.345 2.595 20 5 DFBDMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421000409 296222522 /nfs/dbraw/zinc/22/25/22/296222522.db2.gz COUOGUJDZBMHRF-NHYWBVRUSA-N 1 1 317.345 2.595 20 5 DFBDMO C[N@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1(C)C ZINC000601186246 399250701 /nfs/dbraw/zinc/25/07/01/399250701.db2.gz JXOCZTKLNYZHER-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000601188391 399251210 /nfs/dbraw/zinc/25/12/10/399251210.db2.gz GBFGIJAKQJKUBU-JTQLQIEISA-N 1 1 321.406 2.520 20 5 DFBDMO COC1CC(CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601190931 399251871 /nfs/dbraw/zinc/25/18/71/399251871.db2.gz GWUKINQVQRPJBI-UHFFFAOYSA-N 1 1 301.346 2.792 20 5 DFBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@]1(C)CO ZINC000601198784 399253254 /nfs/dbraw/zinc/25/32/54/399253254.db2.gz HRXAFXKMIOPPSJ-MEDUHNTESA-N 1 1 301.346 2.598 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCO[C@@H](CCF)C3)c2c1 ZINC000601202878 399254080 /nfs/dbraw/zinc/25/40/80/399254080.db2.gz KKZQSSQEWYDQKS-LBPRGKRZSA-N 1 1 305.309 2.708 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H]4CCC[C@]4(CO)C3)c2c1 ZINC000601204061 399254351 /nfs/dbraw/zinc/25/43/51/399254351.db2.gz YRVGLMNMCCPWJP-YVEFUNNKSA-N 1 1 313.357 2.742 20 5 DFBDMO CC[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000601229115 399259852 /nfs/dbraw/zinc/25/98/52/399259852.db2.gz GDSUTQHFQDKRQR-LLVKDONJSA-N 1 1 324.356 2.682 20 5 DFBDMO O=[N+]([O-])c1ncccc1N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614735504 399264662 /nfs/dbraw/zinc/26/46/62/399264662.db2.gz ZLIGYRUADYAAFK-LBPRGKRZSA-N 1 1 313.361 2.517 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCCn4nccc43)c2c1 ZINC000601269205 399267261 /nfs/dbraw/zinc/26/72/61/399267261.db2.gz DRFDEWYODLBPAE-HNNXBMFYSA-N 1 1 309.329 2.708 20 5 DFBDMO C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000608886390 399300565 /nfs/dbraw/zinc/30/05/65/399300565.db2.gz HVTIKUAPELLKII-GFCCVEGCSA-N 1 1 307.394 2.750 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609157454 399307173 /nfs/dbraw/zinc/30/71/73/399307173.db2.gz RFPHOTUCNGFZRB-INIZCTEOSA-N 1 1 300.362 2.671 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000609204296 399309593 /nfs/dbraw/zinc/30/95/93/399309593.db2.gz FCJGVMQYMHNMLT-CQSZACIVSA-N 1 1 322.405 2.976 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000421896171 296279488 /nfs/dbraw/zinc/27/94/88/296279488.db2.gz PGRGNAUIOFXHNB-INIZCTEOSA-N 1 1 319.405 2.624 20 5 DFBDMO CC[C@H]1CCCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610080181 399341631 /nfs/dbraw/zinc/34/16/31/399341631.db2.gz QXNXDSAKSLJWLN-HOCLYGCPSA-N 1 1 322.405 2.989 20 5 DFBDMO Cc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000104970037 194060700 /nfs/dbraw/zinc/06/07/00/194060700.db2.gz CWRDEDDBDNDETM-CQSZACIVSA-N 1 1 318.377 2.605 20 5 DFBDMO CCC(=O)c1ccc(N[C@H]2C[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000619484863 399352935 /nfs/dbraw/zinc/35/29/35/399352935.db2.gz KKEYXSHDXJNXPL-FZMZJTMJSA-N 1 1 305.378 2.940 20 5 DFBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000284881925 218219180 /nfs/dbraw/zinc/21/91/80/218219180.db2.gz TUCYNQCKWKGOTR-OAHLLOKOSA-N 1 1 319.405 2.784 20 5 DFBDMO CSCCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619613148 399368276 /nfs/dbraw/zinc/36/82/76/399368276.db2.gz JMXWXHUBRZMXGH-UHFFFAOYSA-N 1 1 312.391 2.551 20 5 DFBDMO CC1(C)C[NH2+]CC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000601970027 399371320 /nfs/dbraw/zinc/37/13/20/399371320.db2.gz IRJYCQROSJESAS-KEDPEKRHSA-N 1 1 303.406 2.976 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601970998 399372268 /nfs/dbraw/zinc/37/22/68/399372268.db2.gz SMTMHVMORNYBPW-IUODEOHRSA-N 1 1 305.378 2.599 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601970998 399372272 /nfs/dbraw/zinc/37/22/72/399372272.db2.gz SMTMHVMORNYBPW-IUODEOHRSA-N 1 1 305.378 2.599 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000610476659 399371452 /nfs/dbraw/zinc/37/14/52/399371452.db2.gz STVFFNKLWJIVEI-ZDUSSCGKSA-N 1 1 308.378 2.588 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1F ZINC000285174735 218319011 /nfs/dbraw/zinc/31/90/11/218319011.db2.gz BGQFEXAHPKIGPV-KRWDZBQOSA-N 1 1 318.348 2.942 20 5 DFBDMO CC[C@@]1(CO)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285209496 218333579 /nfs/dbraw/zinc/33/35/79/218333579.db2.gz FUEHIBFOFSRKDY-AWEZNQCLSA-N 1 1 300.305 2.610 20 5 DFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285209496 218333581 /nfs/dbraw/zinc/33/35/81/218333581.db2.gz FUEHIBFOFSRKDY-AWEZNQCLSA-N 1 1 300.305 2.610 20 5 DFBDMO COCCc1cc[nH+]c(NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000285217755 218337342 /nfs/dbraw/zinc/33/73/42/218337342.db2.gz PRTRMBSDDBOFAZ-UHFFFAOYSA-N 1 1 317.345 2.799 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000615838931 399387997 /nfs/dbraw/zinc/38/79/97/399387997.db2.gz XXTRRGNDFPEZQI-UDYBNVKDSA-N 1 1 313.361 2.537 20 5 DFBDMO CCOc1ccc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000610675129 399391078 /nfs/dbraw/zinc/39/10/78/399391078.db2.gz KMLGBFLHWYVRBG-UHFFFAOYSA-N 1 1 318.377 2.630 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000109966980 194300789 /nfs/dbraw/zinc/30/07/89/194300789.db2.gz URGKRMFBCBTRIO-CYBMUJFWSA-N 1 1 305.378 2.507 20 5 DFBDMO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285598284 218529816 /nfs/dbraw/zinc/52/98/16/218529816.db2.gz LFSBZPMJGTVOAQ-RKDXNWHRSA-N 1 1 316.304 2.550 20 5 DFBDMO COc1cc(C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000053778368 183912566 /nfs/dbraw/zinc/91/25/66/183912566.db2.gz MMXIIHCCRLUJCZ-UHFFFAOYSA-N 1 1 302.277 2.801 20 5 DFBDMO CN(C)c1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000619846232 399396129 /nfs/dbraw/zinc/39/61/29/399396129.db2.gz PODJOEJZOPNBLM-UHFFFAOYSA-N 1 1 314.389 2.730 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000110995460 194379514 /nfs/dbraw/zinc/37/95/14/194379514.db2.gz IHNQRSVNSPRBFX-LLVKDONJSA-N 1 1 311.407 2.569 20 5 DFBDMO C[N@@H+](CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000602161382 399402829 /nfs/dbraw/zinc/40/28/29/399402829.db2.gz QBSKSJHMWYPXBY-UHFFFAOYSA-N 1 1 321.421 2.924 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOC(C)(C)C ZINC000610859779 399413212 /nfs/dbraw/zinc/41/32/12/399413212.db2.gz MDVGAAOEZRNMOG-LBPRGKRZSA-N 1 1 323.393 2.669 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOC(C)(C)C ZINC000610859779 399413214 /nfs/dbraw/zinc/41/32/14/399413214.db2.gz MDVGAAOEZRNMOG-LBPRGKRZSA-N 1 1 323.393 2.669 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](CC)[C@H](C)C1 ZINC000611092495 399433885 /nfs/dbraw/zinc/43/38/85/399433885.db2.gz VVOIRFGVYWKWJW-CYBMUJFWSA-N 1 1 307.394 2.520 20 5 DFBDMO C[C@@H](NC[C@@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269020700 207171748 /nfs/dbraw/zinc/17/17/48/207171748.db2.gz ZZOSZVUJMXWBDW-DOMZBBRYSA-N 1 1 309.435 2.683 20 5 DFBDMO CC[N@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000611084579 399433045 /nfs/dbraw/zinc/43/30/45/399433045.db2.gz FQJFTDKKHFOQSZ-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@H]2CCc2ccccc2)c([N+](=O)[O-])n1 ZINC000602438166 399444084 /nfs/dbraw/zinc/44/40/84/399444084.db2.gz CMFMKNZROWPXAJ-INIZCTEOSA-N 1 1 314.389 2.926 20 5 DFBDMO Cn1cc(C[N@H+](C)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602430978 399442396 /nfs/dbraw/zinc/44/23/96/399442396.db2.gz AUJCEKLVZTXVCM-OAHLLOKOSA-N 1 1 300.362 2.838 20 5 DFBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602430978 399442400 /nfs/dbraw/zinc/44/24/00/399442400.db2.gz AUJCEKLVZTXVCM-OAHLLOKOSA-N 1 1 300.362 2.838 20 5 DFBDMO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000602443647 399446143 /nfs/dbraw/zinc/44/61/43/399446143.db2.gz JTBHYSQSUDNEMW-UHFFFAOYSA-N 1 1 318.377 2.749 20 5 DFBDMO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000602443647 399446144 /nfs/dbraw/zinc/44/61/44/399446144.db2.gz JTBHYSQSUDNEMW-UHFFFAOYSA-N 1 1 318.377 2.749 20 5 DFBDMO Cn1cc(C[N@@H+](C)CCCCc2ccccc2)c([N+](=O)[O-])n1 ZINC000602448930 399446731 /nfs/dbraw/zinc/44/67/31/399446731.db2.gz WHSWUSRMODEWCZ-UHFFFAOYSA-N 1 1 302.378 2.783 20 5 DFBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602473325 399453805 /nfs/dbraw/zinc/45/38/05/399453805.db2.gz FNEOCNHXZGDBCV-OAHLLOKOSA-N 1 1 302.378 2.781 20 5 DFBDMO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441087 399444738 /nfs/dbraw/zinc/44/47/38/399444738.db2.gz SZCDFCWUZWFYKI-HNNXBMFYSA-N 1 1 300.362 2.974 20 5 DFBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602475733 399455145 /nfs/dbraw/zinc/45/51/45/399455145.db2.gz YXWUMZZSPIDZSM-CYBMUJFWSA-N 1 1 318.295 2.960 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])n1 ZINC000602475961 399455966 /nfs/dbraw/zinc/45/59/66/399455966.db2.gz UPCUZNFMFHZQOO-LBPRGKRZSA-N 1 1 320.780 2.971 20 5 DFBDMO CSC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274730 399456465 /nfs/dbraw/zinc/45/64/65/399456465.db2.gz PRBXXNGCDPWDDD-LBPRGKRZSA-N 1 1 324.402 2.693 20 5 DFBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C)ncn2)cc1[N+](=O)[O-] ZINC000611337234 399462930 /nfs/dbraw/zinc/46/29/30/399462930.db2.gz CPEWTONKVJWWJT-LBPRGKRZSA-N 1 1 316.361 2.943 20 5 DFBDMO C[N@@H+]1CCC[C@@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602533371 399469548 /nfs/dbraw/zinc/46/95/48/399469548.db2.gz XNCIEDXULKULQY-GFCCVEGCSA-N 1 1 317.311 2.797 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602533371 399469551 /nfs/dbraw/zinc/46/95/51/399469551.db2.gz XNCIEDXULKULQY-GFCCVEGCSA-N 1 1 317.311 2.797 20 5 DFBDMO CC[N@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000611444782 399477556 /nfs/dbraw/zinc/47/75/56/399477556.db2.gz HTJWDAHPGJQNGJ-ZDUSSCGKSA-N 1 1 314.389 2.982 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@@H]1CCO ZINC000347365780 285017534 /nfs/dbraw/zinc/01/75/34/285017534.db2.gz UMTMNHOHQBPVIW-WQMJKPAKSA-N 1 1 322.430 2.798 20 5 DFBDMO COCCO[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347386578 285025650 /nfs/dbraw/zinc/02/56/50/285025650.db2.gz YRBDJXDPUGXVNN-IDKBZEPQSA-N 1 1 320.389 2.735 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](O)C34CCCC4)nc2c1 ZINC000602672998 399514925 /nfs/dbraw/zinc/51/49/25/399514925.db2.gz ALFLONHASOPEJJ-AWEZNQCLSA-N 1 1 317.345 2.615 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602683791 399519257 /nfs/dbraw/zinc/51/92/57/399519257.db2.gz SNLKZFBWLCQHHC-LBPRGKRZSA-N 1 1 318.377 2.652 20 5 DFBDMO C[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687008 399520735 /nfs/dbraw/zinc/52/07/35/399520735.db2.gz UEIHVHMCUXKKLU-CABZTGNLSA-N 1 1 318.295 2.816 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](O)CC34CCC4)nc2c1 ZINC000602697717 399525408 /nfs/dbraw/zinc/52/54/08/399525408.db2.gz LJKWUYFJBVXABL-GFCCVEGCSA-N 1 1 317.345 2.615 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](O)CC34CCC4)nc2c1 ZINC000602697717 399525412 /nfs/dbraw/zinc/52/54/12/399525412.db2.gz LJKWUYFJBVXABL-GFCCVEGCSA-N 1 1 317.345 2.615 20 5 DFBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602704184 399530423 /nfs/dbraw/zinc/53/04/23/399530423.db2.gz GIMSAFWJLOJPLI-VIFPVBQESA-N 1 1 306.284 2.816 20 5 DFBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246621695 285079858 /nfs/dbraw/zinc/07/98/58/285079858.db2.gz NAYKKAHQYQDPTR-ZDUSSCGKSA-N 1 1 312.373 2.818 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000270144496 208205191 /nfs/dbraw/zinc/20/51/91/208205191.db2.gz QEXIJMKQIGWGKF-IUODEOHRSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602705188 399530232 /nfs/dbraw/zinc/53/02/32/399530232.db2.gz DMBCKLQXOTZTDU-LLVKDONJSA-N 1 1 318.377 2.698 20 5 DFBDMO CCCc1[nH+]ccn1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000270157431 208218069 /nfs/dbraw/zinc/21/80/69/208218069.db2.gz SWFFLVFORIDFLF-UHFFFAOYSA-N 1 1 302.334 2.691 20 5 DFBDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000347571632 285083497 /nfs/dbraw/zinc/08/34/97/285083497.db2.gz YENNVMGZKIYHGH-AWEZNQCLSA-N 1 1 318.377 2.883 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000364910191 285095220 /nfs/dbraw/zinc/09/52/20/285095220.db2.gz UOMVYQOACNFBDY-UHFFFAOYSA-N 1 1 304.325 2.916 20 5 DFBDMO CC(=O)NCC[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000347629379 285101733 /nfs/dbraw/zinc/10/17/33/285101733.db2.gz KCJMNZJWJSRGOT-UKRRQHHQSA-N 1 1 319.405 2.894 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000270320693 208392468 /nfs/dbraw/zinc/39/24/68/208392468.db2.gz KEOWZFDBGDNPPX-CYBMUJFWSA-N 1 1 303.362 2.882 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000270320693 208392471 /nfs/dbraw/zinc/39/24/71/208392471.db2.gz KEOWZFDBGDNPPX-CYBMUJFWSA-N 1 1 303.362 2.882 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2sccc2[C@@H]1C ZINC000611939923 399546585 /nfs/dbraw/zinc/54/65/85/399546585.db2.gz WFSXMFHNULYGSR-JTQLQIEISA-N 1 1 306.391 2.781 20 5 DFBDMO C[N@H+](CCc1cnccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272962235 210347870 /nfs/dbraw/zinc/34/78/70/210347870.db2.gz NSXRGDUPCRTSOM-UHFFFAOYSA-N 1 1 306.753 2.713 20 5 DFBDMO C[N@@H+](CCc1cnccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272962235 210347874 /nfs/dbraw/zinc/34/78/74/210347874.db2.gz NSXRGDUPCRTSOM-UHFFFAOYSA-N 1 1 306.753 2.713 20 5 DFBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272947591 210334694 /nfs/dbraw/zinc/33/46/94/210334694.db2.gz MLMZPKNPFFPPHI-JTQLQIEISA-N 1 1 306.322 2.565 20 5 DFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000288674778 220339330 /nfs/dbraw/zinc/33/93/30/220339330.db2.gz CLULIYDUPDHORK-INIZCTEOSA-N 1 1 319.361 2.721 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000602773261 399567198 /nfs/dbraw/zinc/56/71/98/399567198.db2.gz ZBMWHDWEMJJPFT-HNNXBMFYSA-N 1 1 314.389 2.898 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000602780215 399570496 /nfs/dbraw/zinc/57/04/96/399570496.db2.gz PZYKFEVQOXNQNI-UHFFFAOYSA-N 1 1 320.780 2.811 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000602780215 399570499 /nfs/dbraw/zinc/57/04/99/399570499.db2.gz PZYKFEVQOXNQNI-UHFFFAOYSA-N 1 1 320.780 2.811 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482375 285164603 /nfs/dbraw/zinc/16/46/03/285164603.db2.gz LHGFZSQBBVZDOK-CQSZACIVSA-N 1 1 316.361 2.924 20 5 DFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000423189714 296390430 /nfs/dbraw/zinc/39/04/30/296390430.db2.gz RCFBAHMHJUXADR-LBPRGKRZSA-N 1 1 309.435 2.807 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000602806133 399582734 /nfs/dbraw/zinc/58/27/34/399582734.db2.gz LVNWRPVFIAKDHO-ONGXEEELSA-N 1 1 320.315 2.763 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000347785013 285173297 /nfs/dbraw/zinc/17/32/97/285173297.db2.gz MYKOSCOBJYNKLN-DZGCQCFKSA-N 1 1 322.405 2.832 20 5 DFBDMO Cc1cnc(CC[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000157317572 197178823 /nfs/dbraw/zinc/17/88/23/197178823.db2.gz MGOBARKODGCHNK-UHFFFAOYSA-N 1 1 321.402 2.913 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602809336 399584172 /nfs/dbraw/zinc/58/41/72/399584172.db2.gz AZWHQPGHGREJQW-QGZVFWFLSA-N 1 1 314.389 2.926 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156505595 197119331 /nfs/dbraw/zinc/11/93/31/197119331.db2.gz CBYILABZBZOTQU-BBRMVZONSA-N 1 1 300.362 2.874 20 5 DFBDMO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156425871 197113012 /nfs/dbraw/zinc/11/30/12/197113012.db2.gz ZVQUXSJHHNBMLW-AAEUAGOBSA-N 1 1 306.391 2.936 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156425871 197113013 /nfs/dbraw/zinc/11/30/13/197113013.db2.gz ZVQUXSJHHNBMLW-AAEUAGOBSA-N 1 1 306.391 2.936 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000156029469 197081784 /nfs/dbraw/zinc/08/17/84/197081784.db2.gz VQSHPVBYBPQEBB-AWEZNQCLSA-N 1 1 318.377 2.605 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000156029345 197081499 /nfs/dbraw/zinc/08/14/99/197081499.db2.gz VQSHPVBYBPQEBB-CQSZACIVSA-N 1 1 318.377 2.605 20 5 DFBDMO C[C@H](CSc1ccccc1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602859466 399606455 /nfs/dbraw/zinc/60/64/55/399606455.db2.gz BCYBGFGBXAUKPB-GFCCVEGCSA-N 1 1 320.418 2.941 20 5 DFBDMO C[C@H](CSc1ccccc1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602859466 399606460 /nfs/dbraw/zinc/60/64/60/399606460.db2.gz BCYBGFGBXAUKPB-GFCCVEGCSA-N 1 1 320.418 2.941 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000602879922 399613582 /nfs/dbraw/zinc/61/35/82/399613582.db2.gz HJPYMTSTVBPMFM-ZDUSSCGKSA-N 1 1 302.334 2.664 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000602879922 399613586 /nfs/dbraw/zinc/61/35/86/399613586.db2.gz HJPYMTSTVBPMFM-ZDUSSCGKSA-N 1 1 302.334 2.664 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000602881453 399614805 /nfs/dbraw/zinc/61/48/05/399614805.db2.gz QNDXCFYVGVMBIS-OAHLLOKOSA-N 1 1 302.334 2.534 20 5 DFBDMO Cn1cc(C2=CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000602890237 399617043 /nfs/dbraw/zinc/61/70/43/399617043.db2.gz ZAIUGHZPUSCMBY-UHFFFAOYSA-N 1 1 312.373 2.660 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271612530 209059321 /nfs/dbraw/zinc/05/93/21/209059321.db2.gz CRDQOCGKPOOYJA-STQMWFEESA-N 1 1 322.409 2.685 20 5 DFBDMO Cc1noc(C[NH+]2CCC(c3ccc(F)cn3)CC2)c1[N+](=O)[O-] ZINC000602903624 399621382 /nfs/dbraw/zinc/62/13/82/399621382.db2.gz JRZASJJEMANVIZ-UHFFFAOYSA-N 1 1 320.324 2.805 20 5 DFBDMO CSC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000602920839 399626433 /nfs/dbraw/zinc/62/64/33/399626433.db2.gz NRRQXBGLFODMDQ-UHFFFAOYSA-N 1 1 306.391 2.799 20 5 DFBDMO COC(=O)[C@@]1(C)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000602925813 399630154 /nfs/dbraw/zinc/63/01/54/399630154.db2.gz DSJUTGSGUNDKRA-OZVIIMIRSA-N 1 1 306.362 2.787 20 5 DFBDMO COc1ccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)cc1[N+](=O)[O-] ZINC000289795242 221230743 /nfs/dbraw/zinc/23/07/43/221230743.db2.gz HXGWAEPDVYICED-AWEZNQCLSA-N 1 1 316.361 2.555 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)cc1[N+](=O)[O-] ZINC000289795242 221230748 /nfs/dbraw/zinc/23/07/48/221230748.db2.gz HXGWAEPDVYICED-AWEZNQCLSA-N 1 1 316.361 2.555 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(F)CC1 ZINC000602993154 399653082 /nfs/dbraw/zinc/65/30/82/399653082.db2.gz RNXPALLYJVTRAV-LLVKDONJSA-N 1 1 309.341 2.746 20 5 DFBDMO C[C@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[N@H+]1C1CC1 ZINC000612447837 399653696 /nfs/dbraw/zinc/65/36/96/399653696.db2.gz XQLBILRMXGRGCF-WDEREUQCSA-N 1 1 313.361 2.575 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c(F)c1 ZINC000602997226 399654278 /nfs/dbraw/zinc/65/42/78/399654278.db2.gz GAKQOQXXQOGANT-IMJJTQAJSA-N 1 1 308.353 2.859 20 5 DFBDMO Cn1cc[nH+]c1C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000612785867 399723278 /nfs/dbraw/zinc/72/32/78/399723278.db2.gz USFRRHNYIIHSKD-AWEZNQCLSA-N 1 1 324.344 2.514 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000121067095 195289187 /nfs/dbraw/zinc/28/91/87/195289187.db2.gz AJKKJISZCCANBI-GFCCVEGCSA-N 1 1 315.377 2.644 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000121067095 195289189 /nfs/dbraw/zinc/28/91/89/195289189.db2.gz AJKKJISZCCANBI-GFCCVEGCSA-N 1 1 315.377 2.644 20 5 DFBDMO CCC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000121930344 195376084 /nfs/dbraw/zinc/37/60/84/195376084.db2.gz DVNKATHZWSNMFJ-MRXNPFEDSA-N 1 1 321.421 2.528 20 5 DFBDMO Cc1nn(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603322834 399744012 /nfs/dbraw/zinc/74/40/12/399744012.db2.gz VIBJEVQFWNLHRQ-TXEJJXNPSA-N 1 1 317.393 2.626 20 5 DFBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000603400432 399765306 /nfs/dbraw/zinc/76/53/06/399765306.db2.gz XDHRAFAYPPJQEU-CABCVRRESA-N 1 1 323.368 2.645 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000366627101 131021899 /nfs/dbraw/zinc/02/18/99/131021899.db2.gz LTQPVERTKILZKN-CQSZACIVSA-N 1 1 320.389 2.852 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000366650166 131282728 /nfs/dbraw/zinc/28/27/28/131282728.db2.gz DTQDVQPPRDCUTN-HIFRSBDPSA-N 1 1 302.330 2.711 20 5 DFBDMO COc1ccnc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000424183800 296491030 /nfs/dbraw/zinc/49/10/30/296491030.db2.gz CGGZNTZHSWVOLK-XYOKQWHBSA-N 1 1 314.345 2.587 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302825736 543047662 /nfs/dbraw/zinc/04/76/62/543047662.db2.gz HCAAEQPMZRKYKQ-LBPRGKRZSA-N 1 1 304.394 2.849 20 5 DFBDMO Cc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173462400 145344170 /nfs/dbraw/zinc/34/41/70/145344170.db2.gz TYWOFOZURILYAD-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DFBDMO O=C(C[N@@H+]1CCC2(CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173827699 145356997 /nfs/dbraw/zinc/35/69/97/145356997.db2.gz ZBRUMMMPJUAMIG-UHFFFAOYSA-N 1 1 303.362 2.799 20 5 DFBDMO O=C(C[N@H+]1CCC2(CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000173827699 145356999 /nfs/dbraw/zinc/35/69/99/145356999.db2.gz ZBRUMMMPJUAMIG-UHFFFAOYSA-N 1 1 303.362 2.799 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000174822750 145391792 /nfs/dbraw/zinc/39/17/92/145391792.db2.gz HYTYUQYPGURMMN-OAHLLOKOSA-N 1 1 318.352 2.638 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246669923 146147963 /nfs/dbraw/zinc/14/79/63/146147963.db2.gz MBDOEGIJIAKKTM-LRDDRELGSA-N 1 1 306.362 2.604 20 5 DFBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000249698503 146203525 /nfs/dbraw/zinc/20/35/25/146203525.db2.gz CUOACFFTVDJHKV-NWDGAFQWSA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000250111865 146209759 /nfs/dbraw/zinc/20/97/59/146209759.db2.gz LSUNHOUWBJEICX-OCCSQVGLSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1cc(CN2CCC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000250889265 146212323 /nfs/dbraw/zinc/21/23/23/146212323.db2.gz KUSHCCZCSHKALP-ZDUSSCGKSA-N 1 1 309.797 2.918 20 5 DFBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000255029013 146230730 /nfs/dbraw/zinc/23/07/30/146230730.db2.gz TVEVAJJLSAUZAJ-WUKHSURWSA-N 1 1 303.406 2.882 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000354355984 147006052 /nfs/dbraw/zinc/00/60/52/147006052.db2.gz ZCIYABFXOKODJR-QWRGUYRKSA-N 1 1 323.422 2.613 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000354869994 147185243 /nfs/dbraw/zinc/18/52/43/147185243.db2.gz QWYCCUQLOKFLNB-WDEREUQCSA-N 1 1 302.334 2.875 20 5 DFBDMO CC1(C)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000357813017 148133636 /nfs/dbraw/zinc/13/36/36/148133636.db2.gz SHKAOELCCLCTJP-HNNXBMFYSA-N 1 1 322.405 2.847 20 5 DFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358214540 148288169 /nfs/dbraw/zinc/28/81/69/148288169.db2.gz VHWGCHVKUMKJBL-HZPDHXFCSA-N 1 1 308.378 2.599 20 5 DFBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000350351478 286031004 /nfs/dbraw/zinc/03/10/04/286031004.db2.gz ILBWMTTZQYRKRW-UHFFFAOYSA-N 1 1 319.405 2.782 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000358352117 148338583 /nfs/dbraw/zinc/33/85/83/148338583.db2.gz MSTOIAXDOKWAKT-NSHDSACASA-N 1 1 311.357 2.584 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+]CCCCF)c1ccc([N+](=O)[O-])cc1 ZINC000360999216 149003691 /nfs/dbraw/zinc/00/36/91/149003691.db2.gz SJLBEBPYUFBSRA-AWEZNQCLSA-N 1 1 306.341 2.757 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361050190 149017587 /nfs/dbraw/zinc/01/75/87/149017587.db2.gz ICULIXGLFYYBDA-LQPUYASZSA-N 1 1 312.316 2.558 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361050190 149017588 /nfs/dbraw/zinc/01/75/88/149017588.db2.gz ICULIXGLFYYBDA-LQPUYASZSA-N 1 1 312.316 2.558 20 5 DFBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2ncsc2c1 ZINC000362574089 149313181 /nfs/dbraw/zinc/31/31/81/149313181.db2.gz AINQTIPPNCIQKR-VIFPVBQESA-N 1 1 317.374 2.789 20 5 DFBDMO Cc1c(NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000362740728 149355707 /nfs/dbraw/zinc/35/57/07/149355707.db2.gz KDPFWOCPJHJZCI-OAHLLOKOSA-N 1 1 320.393 2.707 20 5 DFBDMO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000371332864 150025329 /nfs/dbraw/zinc/02/53/29/150025329.db2.gz BJTVKRVVPPQNAX-ZRFDWSJLSA-N 1 1 313.361 2.606 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000371331257 150025417 /nfs/dbraw/zinc/02/54/17/150025417.db2.gz GFARFZCGEBRMIC-CFSAUIFESA-N 1 1 302.374 2.966 20 5 DFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000372056565 150131140 /nfs/dbraw/zinc/13/11/40/150131140.db2.gz RJFSIPGEBKFRCY-DOMZBBRYSA-N 1 1 314.389 2.786 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000372811422 150186819 /nfs/dbraw/zinc/18/68/19/150186819.db2.gz FMTOWAYTLRULJY-MRXNPFEDSA-N 1 1 306.362 2.606 20 5 DFBDMO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373967311 150285574 /nfs/dbraw/zinc/28/55/74/150285574.db2.gz GYTNGLYBEJSIIC-CPUCHLNUSA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373967311 150285576 /nfs/dbraw/zinc/28/55/76/150285576.db2.gz GYTNGLYBEJSIIC-CPUCHLNUSA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351647918 286181709 /nfs/dbraw/zinc/18/17/09/286181709.db2.gz JRQRKTCNGOPMTR-WDEREUQCSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351647918 286181711 /nfs/dbraw/zinc/18/17/11/286181711.db2.gz JRQRKTCNGOPMTR-WDEREUQCSA-N 1 1 314.332 2.856 20 5 DFBDMO O=C(CC[N@H+]1CCC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000374292852 150338354 /nfs/dbraw/zinc/33/83/54/150338354.db2.gz OGTOKIAHJVZWNI-CQSZACIVSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351755219 286210863 /nfs/dbraw/zinc/21/08/63/286210863.db2.gz HNHXYKKQOSEXOH-NXEZZACHSA-N 1 1 300.305 2.608 20 5 DFBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351755219 286210864 /nfs/dbraw/zinc/21/08/64/286210864.db2.gz HNHXYKKQOSEXOH-NXEZZACHSA-N 1 1 300.305 2.608 20 5 DFBDMO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351757046 286211343 /nfs/dbraw/zinc/21/13/43/286211343.db2.gz MFJMSGASMJOECC-CYBMUJFWSA-N 1 1 300.305 2.608 20 5 DFBDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351757046 286211345 /nfs/dbraw/zinc/21/13/45/286211345.db2.gz MFJMSGASMJOECC-CYBMUJFWSA-N 1 1 300.305 2.608 20 5 DFBDMO COC1CC([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000352202010 286317888 /nfs/dbraw/zinc/31/78/88/286317888.db2.gz HVWHKUAQPCCJRM-UHFFFAOYSA-N 1 1 317.345 2.859 20 5 DFBDMO COC1CC([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000352202010 286317889 /nfs/dbraw/zinc/31/78/89/286317889.db2.gz HVWHKUAQPCCJRM-UHFFFAOYSA-N 1 1 317.345 2.859 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+]CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353388856 286632381 /nfs/dbraw/zinc/63/23/81/286632381.db2.gz SAKSTBQBXPPSTL-OAHLLOKOSA-N 1 1 300.362 2.807 20 5 DFBDMO Cn1cccc1[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246275240 158083190 /nfs/dbraw/zinc/08/31/90/158083190.db2.gz MVFQLOJHWBRCKE-DLBZAZTESA-N 1 1 315.373 2.804 20 5 DFBDMO CC(C)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246981396 158111662 /nfs/dbraw/zinc/11/16/62/158111662.db2.gz FNYABQNAYTYCKG-NVXWUHKLSA-N 1 1 322.405 2.845 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000247060164 158116746 /nfs/dbraw/zinc/11/67/46/158116746.db2.gz XFDSEVWFYSEBRR-RYUDHWBXSA-N 1 1 323.418 2.664 20 5 DFBDMO COCCOC[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247186583 158122614 /nfs/dbraw/zinc/12/26/14/158122614.db2.gz BOJFTQNFLZBCJP-ZIAGYGMSSA-N 1 1 308.378 2.641 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252566857 158206072 /nfs/dbraw/zinc/20/60/72/158206072.db2.gz ZWRAAFGVBNHGDW-NWDGAFQWSA-N 1 1 311.769 2.523 20 5 DFBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000354584305 158233576 /nfs/dbraw/zinc/23/35/76/158233576.db2.gz ZEBNSGAYECNZEF-UHFFFAOYSA-N 1 1 313.304 2.870 20 5 DFBDMO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271630588 209074366 /nfs/dbraw/zinc/07/43/66/209074366.db2.gz OWUVBHGNCFGMFY-QWHCGFSZSA-N 1 1 307.394 2.940 20 5 DFBDMO CC[N@H+]1CCC[C@H](CNc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000133262520 196326295 /nfs/dbraw/zinc/32/62/95/196326295.db2.gz WVJJXPFRVMVRPW-LLVKDONJSA-N 1 1 311.357 2.886 20 5 DFBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+](C2CC2)C1 ZINC000296673767 226109438 /nfs/dbraw/zinc/10/94/38/226109438.db2.gz HGRSHWZPVYTEMQ-GFCCVEGCSA-N 1 1 307.369 2.650 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000290515994 221712215 /nfs/dbraw/zinc/71/22/15/221712215.db2.gz NIULMEMADQFVMP-INIZCTEOSA-N 1 1 324.352 2.851 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291236695 222246463 /nfs/dbraw/zinc/24/64/63/222246463.db2.gz KUGGACTWSGQONA-GOSISDBHSA-N 1 1 312.369 2.731 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000298139778 228377490 /nfs/dbraw/zinc/37/74/90/228377490.db2.gz DAJRIPJFAIQRSS-CQSZACIVSA-N 1 1 319.405 2.898 20 5 DFBDMO Cc1cc(N2CCC([NH+](C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302165765 230136163 /nfs/dbraw/zinc/13/61/63/230136163.db2.gz KUSJTDNIDAUERO-UHFFFAOYSA-N 1 1 314.389 2.982 20 5 DFBDMO COc1cc(N[C@@H]2CCc3[nH+]c(C)cn3C2)c([N+](=O)[O-])cc1F ZINC000302626323 230324426 /nfs/dbraw/zinc/32/44/26/230324426.db2.gz FOWDAWJOAAUVQJ-SNVBAGLBSA-N 1 1 320.324 2.674 20 5 DFBDMO COCCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000066379580 425904036 /nfs/dbraw/zinc/90/40/36/425904036.db2.gz ARTSMOSBHORLIR-LLVKDONJSA-N 1 1 320.349 2.674 20 5 DFBDMO C[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067378515 425910103 /nfs/dbraw/zinc/91/01/03/425910103.db2.gz PZZGYHZADNCUNS-XJKSGUPXSA-N 1 1 317.389 2.822 20 5 DFBDMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000016444857 425784784 /nfs/dbraw/zinc/78/47/84/425784784.db2.gz QOBZIKDHOJNVIJ-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000016444857 425784790 /nfs/dbraw/zinc/78/47/90/425784790.db2.gz QOBZIKDHOJNVIJ-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000030141990 425830349 /nfs/dbraw/zinc/83/03/49/425830349.db2.gz MNCQULMEEPOLFS-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000030141990 425830350 /nfs/dbraw/zinc/83/03/50/425830350.db2.gz MNCQULMEEPOLFS-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000030141988 425830432 /nfs/dbraw/zinc/83/04/32/425830432.db2.gz MNCQULMEEPOLFS-GFCCVEGCSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000030141988 425830433 /nfs/dbraw/zinc/83/04/33/425830433.db2.gz MNCQULMEEPOLFS-GFCCVEGCSA-N 1 1 321.377 2.664 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649006 425848872 /nfs/dbraw/zinc/84/88/72/425848872.db2.gz RKWPCQMNWOVIKN-LLVKDONJSA-N 1 1 309.797 2.822 20 5 DFBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000193637464 268075177 /nfs/dbraw/zinc/07/51/77/268075177.db2.gz CNNHHOSSCOAFIZ-LLVKDONJSA-N 1 1 303.318 2.786 20 5 DFBDMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000271447290 268249871 /nfs/dbraw/zinc/24/98/71/268249871.db2.gz CJCHSMZHKXFNKQ-RYUDHWBXSA-N 1 1 321.377 2.805 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277862079 268265488 /nfs/dbraw/zinc/26/54/88/268265488.db2.gz JYVGQACDHUZIRZ-OAHLLOKOSA-N 1 1 317.389 2.650 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000278084692 268267218 /nfs/dbraw/zinc/26/72/18/268267218.db2.gz XOWFXFHXTXEOCW-AWEZNQCLSA-N 1 1 319.405 2.707 20 5 DFBDMO CCOc1cc(NC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000308665425 268335441 /nfs/dbraw/zinc/33/54/41/268335441.db2.gz UNAUHRYNQOAYBE-UHFFFAOYSA-N 1 1 323.393 2.516 20 5 DFBDMO COc1ccc(C[NH2+]C(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000308636398 268335537 /nfs/dbraw/zinc/33/55/37/268335537.db2.gz ROWPIGHMPQUAHP-UHFFFAOYSA-N 1 1 307.394 2.567 20 5 DFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331723577 268358840 /nfs/dbraw/zinc/35/88/40/268358840.db2.gz LUPYQAITKJJJTG-GXTWGEPZSA-N 1 1 317.389 2.604 20 5 DFBDMO CCOCC[N@@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000107679899 426000492 /nfs/dbraw/zinc/00/04/92/426000492.db2.gz GLKWZOVXADMVKY-UHFFFAOYSA-N 1 1 323.393 2.590 20 5 DFBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CC1 ZINC000070014883 425966638 /nfs/dbraw/zinc/96/66/38/425966638.db2.gz JOQTZVQHSBZVQJ-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000105795594 425969467 /nfs/dbraw/zinc/96/94/67/425969467.db2.gz HUHZSBRIENDZIL-GFCCVEGCSA-N 1 1 301.350 2.590 20 5 DFBDMO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000125440538 425971968 /nfs/dbraw/zinc/97/19/68/425971968.db2.gz MMELFLXMHSJXQN-QWHCGFSZSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162458701 426064797 /nfs/dbraw/zinc/06/47/97/426064797.db2.gz ZGUKSJGCEXGPSS-VIFPVBQESA-N 1 1 317.183 2.560 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000113226564 426107112 /nfs/dbraw/zinc/10/71/12/426107112.db2.gz VEVUNVQUZZYRMO-CMPLNLGQSA-N 1 1 323.780 2.557 20 5 DFBDMO NC(=O)CC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000077325187 426127244 /nfs/dbraw/zinc/12/72/44/426127244.db2.gz BVDNEZGFWOLHQO-UHFFFAOYSA-N 1 1 319.386 2.534 20 5 DFBDMO NC(=O)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000077325187 426127247 /nfs/dbraw/zinc/12/72/47/426127247.db2.gz BVDNEZGFWOLHQO-UHFFFAOYSA-N 1 1 319.386 2.534 20 5 DFBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000077323855 426127708 /nfs/dbraw/zinc/12/77/08/426127708.db2.gz FPTKOXVBUQHDGP-UHFFFAOYSA-N 1 1 308.378 2.863 20 5 DFBDMO CCCC[N@@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000075634310 426080421 /nfs/dbraw/zinc/08/04/21/426080421.db2.gz BWEMDZCWFMJYES-UHFFFAOYSA-N 1 1 305.378 2.606 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000170872780 426156420 /nfs/dbraw/zinc/15/64/20/426156420.db2.gz BSCLMRBTXZEUDG-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000170872780 426156423 /nfs/dbraw/zinc/15/64/23/426156423.db2.gz BSCLMRBTXZEUDG-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO O=[N+]([O-])c1c(F)cccc1NCCc1cn2c([nH+]1)CCCC2 ZINC000134888390 426198729 /nfs/dbraw/zinc/19/87/29/426198729.db2.gz RSTODIOKYZKJPK-UHFFFAOYSA-N 1 1 304.325 2.921 20 5 DFBDMO C[N@@H+](CCOc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136808728 426247513 /nfs/dbraw/zinc/24/75/13/426247513.db2.gz AJFBLBBMLCRMQE-QGZVFWFLSA-N 1 1 316.357 2.639 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173794297 426248389 /nfs/dbraw/zinc/24/83/89/426248389.db2.gz AXBWNUFJYRZAFI-AWEZNQCLSA-N 1 1 319.405 2.707 20 5 DFBDMO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000150904346 426266138 /nfs/dbraw/zinc/26/61/38/426266138.db2.gz NVDSWHXHDKCXHV-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000150904346 426266143 /nfs/dbraw/zinc/26/61/43/426266143.db2.gz NVDSWHXHDKCXHV-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117333306 426212026 /nfs/dbraw/zinc/21/20/26/426212026.db2.gz DKSWJEHDXKDRRZ-LBPRGKRZSA-N 1 1 319.361 2.625 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[N@H+]1CC ZINC000175362949 426300363 /nfs/dbraw/zinc/30/03/63/426300363.db2.gz CWYSJSJYPRKJQE-INIZCTEOSA-N 1 1 321.421 2.910 20 5 DFBDMO COCCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089888097 426315093 /nfs/dbraw/zinc/31/50/93/426315093.db2.gz GQAXPBHTMJAMHJ-UHFFFAOYSA-N 1 1 305.334 2.718 20 5 DFBDMO CC(C)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](C)O ZINC000089896662 426316411 /nfs/dbraw/zinc/31/64/11/426316411.db2.gz OENHRXYFSOLOOU-LBPRGKRZSA-N 1 1 319.361 2.841 20 5 DFBDMO CCNC(=O)C[N@H+](CC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000119319212 426278861 /nfs/dbraw/zinc/27/88/61/426278861.db2.gz XPEGCYXUZNLDMR-UHFFFAOYSA-N 1 1 307.394 2.676 20 5 DFBDMO CCNC(=O)C[N@@H+](CC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000119319212 426278862 /nfs/dbraw/zinc/27/88/62/426278862.db2.gz XPEGCYXUZNLDMR-UHFFFAOYSA-N 1 1 307.394 2.676 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000152771150 426352779 /nfs/dbraw/zinc/35/27/79/426352779.db2.gz NICYFESTAXUWQE-UKRRQHHQSA-N 1 1 306.362 2.604 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000152790016 426354126 /nfs/dbraw/zinc/35/41/26/426354126.db2.gz DFLJWBOLDCTFNM-QGZVFWFLSA-N 1 1 316.332 2.826 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000152790016 426354127 /nfs/dbraw/zinc/35/41/27/426354127.db2.gz DFLJWBOLDCTFNM-QGZVFWFLSA-N 1 1 316.332 2.826 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](C)CCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000093320335 426355338 /nfs/dbraw/zinc/35/53/38/426355338.db2.gz KJPCIFFVZMNXFH-UHFFFAOYSA-N 1 1 319.405 2.772 20 5 DFBDMO COc1ccc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176194900 426359944 /nfs/dbraw/zinc/35/99/44/426359944.db2.gz WFMUSCXGLPUFQN-HNNXBMFYSA-N 1 1 316.361 2.637 20 5 DFBDMO Cc1ccccc1OCCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176213795 426360658 /nfs/dbraw/zinc/36/06/58/426360658.db2.gz VSESKTJIKIZWIV-UHFFFAOYSA-N 1 1 318.377 2.501 20 5 DFBDMO CCC[N@H+](CCc1cccc(F)c1)CCn1ccc([N+](=O)[O-])n1 ZINC000176244174 426363540 /nfs/dbraw/zinc/36/35/40/426363540.db2.gz VHGKQUWRTXFOQY-UHFFFAOYSA-N 1 1 320.368 2.885 20 5 DFBDMO CCN(C)C(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000153135985 426373077 /nfs/dbraw/zinc/37/30/77/426373077.db2.gz ZGNLYAFPWXDKPS-UHFFFAOYSA-N 1 1 313.785 2.548 20 5 DFBDMO CCN(C)C(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000153135985 426373080 /nfs/dbraw/zinc/37/30/80/426373080.db2.gz ZGNLYAFPWXDKPS-UHFFFAOYSA-N 1 1 313.785 2.548 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000122668772 426387575 /nfs/dbraw/zinc/38/75/75/426387575.db2.gz AEZVSTDFFIDQAS-DGCLKSJQSA-N 1 1 305.378 2.820 20 5 DFBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122998026 426408485 /nfs/dbraw/zinc/40/84/85/426408485.db2.gz KMZJETLNBHSABF-OLZOCXBDSA-N 1 1 305.378 2.536 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153851100 426410799 /nfs/dbraw/zinc/41/07/99/426410799.db2.gz MMDQXBCSIZRYCE-GFCCVEGCSA-N 1 1 312.801 2.954 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000123686613 426447150 /nfs/dbraw/zinc/44/71/50/426447150.db2.gz PWCZKNOEQJKMCR-AAEUAGOBSA-N 1 1 318.295 2.791 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000123686613 426447154 /nfs/dbraw/zinc/44/71/54/426447154.db2.gz PWCZKNOEQJKMCR-AAEUAGOBSA-N 1 1 318.295 2.791 20 5 DFBDMO CCCO[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154188843 426428919 /nfs/dbraw/zinc/42/89/19/426428919.db2.gz FHGZHMLKIQEPNS-IRXDYDNUSA-N 1 1 322.405 2.909 20 5 DFBDMO CCc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000177004670 426433637 /nfs/dbraw/zinc/43/36/37/426433637.db2.gz JDYWZDOZZRAIDQ-OAHLLOKOSA-N 1 1 319.405 2.714 20 5 DFBDMO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177033033 426435641 /nfs/dbraw/zinc/43/56/41/426435641.db2.gz MCVMYBNYAREJNN-GXSJLCMTSA-N 1 1 323.780 2.603 20 5 DFBDMO CC(C)c1[nH+]ccn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000123555015 426440339 /nfs/dbraw/zinc/44/03/39/426440339.db2.gz GXYBEHRKSZQWHI-UHFFFAOYSA-N 1 1 303.318 2.830 20 5 DFBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000177082426 426441443 /nfs/dbraw/zinc/44/14/43/426441443.db2.gz YDUWITMSPBEZLV-VHSXEESVSA-N 1 1 323.780 2.603 20 5 DFBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177111070 426444824 /nfs/dbraw/zinc/44/48/24/426444824.db2.gz DQZJJSRZTJATDI-GXSJLCMTSA-N 1 1 323.780 2.603 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000340888566 269027075 /nfs/dbraw/zinc/02/70/75/269027075.db2.gz YMNLHIGIJZIZCZ-CYBMUJFWSA-N 1 1 307.398 2.548 20 5 DFBDMO COc1ccc(C[N@H+](CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000154611526 426448802 /nfs/dbraw/zinc/44/88/02/426448802.db2.gz IZTIQVSOENSOIU-UHFFFAOYSA-N 1 1 321.421 2.910 20 5 DFBDMO COc1ccc(C[N@@H+](CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000154611526 426448806 /nfs/dbraw/zinc/44/88/06/426448806.db2.gz IZTIQVSOENSOIU-UHFFFAOYSA-N 1 1 321.421 2.910 20 5 DFBDMO C[C@@H]1C[N@H+](CCCNc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000341419250 269074899 /nfs/dbraw/zinc/07/48/99/269074899.db2.gz OPSUIVWUNLFPNG-TXEJJXNPSA-N 1 1 311.357 2.645 20 5 DFBDMO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177220934 426455234 /nfs/dbraw/zinc/45/52/34/426455234.db2.gz QUTYUHUOFNJVQS-SKDRFNHKSA-N 1 1 323.780 2.603 20 5 DFBDMO COCC[NH+]1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154850273 426457733 /nfs/dbraw/zinc/45/77/33/426457733.db2.gz NQCQFKKWXVNRRB-CQSZACIVSA-N 1 1 321.421 2.665 20 5 DFBDMO Cc1sc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155410369 426470822 /nfs/dbraw/zinc/47/08/22/426470822.db2.gz CYLSPINEKLKUSF-NWDGAFQWSA-N 1 1 323.418 2.521 20 5 DFBDMO Cn1nccc1C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000195504410 426531107 /nfs/dbraw/zinc/53/11/07/426531107.db2.gz OBEWSMVTYHYPRL-UHFFFAOYSA-N 1 1 318.352 2.847 20 5 DFBDMO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264398909 426547233 /nfs/dbraw/zinc/54/72/33/426547233.db2.gz OOMUAKINCGJLMC-CQSZACIVSA-N 1 1 319.405 2.722 20 5 DFBDMO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264398909 426547237 /nfs/dbraw/zinc/54/72/37/426547237.db2.gz OOMUAKINCGJLMC-CQSZACIVSA-N 1 1 319.405 2.722 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000272534467 426550704 /nfs/dbraw/zinc/55/07/04/426550704.db2.gz BLDBADNZQHSXAK-NHYWBVRUSA-N 1 1 309.797 2.774 20 5 DFBDMO CCOC(=O)N1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194865542 426493906 /nfs/dbraw/zinc/49/39/06/426493906.db2.gz SBZNGUVOFVPZEO-ZDUSSCGKSA-N 1 1 321.377 2.820 20 5 DFBDMO CCOC(=O)N1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194865542 426493907 /nfs/dbraw/zinc/49/39/07/426493907.db2.gz SBZNGUVOFVPZEO-ZDUSSCGKSA-N 1 1 321.377 2.820 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)cc1 ZINC000195026077 426499270 /nfs/dbraw/zinc/49/92/70/426499270.db2.gz VSVVLJFMVWMSKF-INIZCTEOSA-N 1 1 323.356 2.635 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280399294 426566590 /nfs/dbraw/zinc/56/65/90/426566590.db2.gz KSECBUFZQYDTDD-DVOMOZLQSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280399294 426566592 /nfs/dbraw/zinc/56/65/92/426566592.db2.gz KSECBUFZQYDTDD-DVOMOZLQSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272737324 426572003 /nfs/dbraw/zinc/57/20/03/426572003.db2.gz CIILSROFVRCGCD-JTQLQIEISA-N 1 1 323.780 2.628 20 5 DFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000265224024 426601379 /nfs/dbraw/zinc/60/13/79/426601379.db2.gz OCBMCUQQQQCYBT-ZFWWWQNUSA-N 1 1 308.378 2.599 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280593786 426608138 /nfs/dbraw/zinc/60/81/38/426608138.db2.gz UNBBRRYXHCOCCA-JKIFEVAISA-N 1 1 320.389 2.844 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280593786 426608142 /nfs/dbraw/zinc/60/81/42/426608142.db2.gz UNBBRRYXHCOCCA-JKIFEVAISA-N 1 1 320.389 2.844 20 5 DFBDMO Cc1cc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000187225640 426641742 /nfs/dbraw/zinc/64/17/42/426641742.db2.gz CIVLUKQLBLFYOM-ZDUSSCGKSA-N 1 1 315.377 2.510 20 5 DFBDMO CCC(=O)c1ccc(N2CC[C@H](C[N@H+](C)CC)C2)c([N+](=O)[O-])c1 ZINC000280763707 426651260 /nfs/dbraw/zinc/65/12/60/426651260.db2.gz RAEYHJJZFWZABC-CYBMUJFWSA-N 1 1 319.405 2.966 20 5 DFBDMO COc1cc(C[N@@H+]2CCCSCC2)c([N+](=O)[O-])cc1OC ZINC000273405207 426658799 /nfs/dbraw/zinc/65/87/99/426658799.db2.gz NEQAPQQMIRCBPJ-UHFFFAOYSA-N 1 1 312.391 2.551 20 5 DFBDMO COc1cc(C[N@H+]2CCCSCC2)c([N+](=O)[O-])cc1OC ZINC000273405207 426658809 /nfs/dbraw/zinc/65/88/09/426658809.db2.gz NEQAPQQMIRCBPJ-UHFFFAOYSA-N 1 1 312.391 2.551 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000273248222 426625292 /nfs/dbraw/zinc/62/52/92/426625292.db2.gz GPZFZSSJOIYBKV-UKRRQHHQSA-N 1 1 322.405 2.832 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000280933363 426689580 /nfs/dbraw/zinc/68/95/80/426689580.db2.gz HHHQPGDASSDNBD-QGZVFWFLSA-N 1 1 313.357 2.781 20 5 DFBDMO CCOc1cccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000273898290 426713103 /nfs/dbraw/zinc/71/31/03/426713103.db2.gz VIBPYFJVSKZYDR-KBPBESRZSA-N 1 1 319.405 2.914 20 5 DFBDMO CC(C)c1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000188077248 426719960 /nfs/dbraw/zinc/71/99/60/426719960.db2.gz QOWCCTXSTPMSBC-CHWSQXEVSA-N 1 1 319.405 2.883 20 5 DFBDMO COCCO[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245985057 426789885 /nfs/dbraw/zinc/78/98/85/426789885.db2.gz WDCGVDQCJTXBDS-CZUORRHYSA-N 1 1 308.378 2.783 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000290515995 426781012 /nfs/dbraw/zinc/78/10/12/426781012.db2.gz NIULMEMADQFVMP-MRXNPFEDSA-N 1 1 324.352 2.851 20 5 DFBDMO COc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290518350 426782981 /nfs/dbraw/zinc/78/29/81/426782981.db2.gz CBKUDNNKNXAIFF-GHMZBOCLSA-N 1 1 321.377 2.649 20 5 DFBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCCCC1 ZINC000266843798 426785928 /nfs/dbraw/zinc/78/59/28/426785928.db2.gz HKBMUKNCEWOFFB-CHWSQXEVSA-N 1 1 305.378 2.646 20 5 DFBDMO CC[N@@H+](CCNC(=O)c1cccc(SC)c1[N+](=O)[O-])C1CC1 ZINC000188112639 426724579 /nfs/dbraw/zinc/72/45/79/426724579.db2.gz JEGHRRQYHSOWBH-UHFFFAOYSA-N 1 1 323.418 2.531 20 5 DFBDMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266517698 426728992 /nfs/dbraw/zinc/72/89/92/426728992.db2.gz HLUBZYJUFROPLL-OLZOCXBDSA-N 1 1 306.362 2.931 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245438982 426738945 /nfs/dbraw/zinc/73/89/45/426738945.db2.gz SLOOEYZOKYDMDF-WFASDCNBSA-N 1 1 309.385 2.896 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000245441338 426739871 /nfs/dbraw/zinc/73/98/71/426739871.db2.gz VHNSCIZZVOVJPT-GJZGRUSLSA-N 1 1 319.405 2.532 20 5 DFBDMO COCC[N@H+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000245524483 426747730 /nfs/dbraw/zinc/74/77/30/426747730.db2.gz NQGSZTYMFSSKQH-GJZGRUSLSA-N 1 1 321.421 2.617 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000290545888 426789176 /nfs/dbraw/zinc/78/91/76/426789176.db2.gz FNHGEBLKGZYIDC-SNVBAGLBSA-N 1 1 312.345 2.584 20 5 DFBDMO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000179183839 426764770 /nfs/dbraw/zinc/76/47/70/426764770.db2.gz PCYYVWYJYDDHBM-GFCCVEGCSA-N 1 1 317.345 2.861 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000179183839 426764773 /nfs/dbraw/zinc/76/47/73/426764773.db2.gz PCYYVWYJYDDHBM-GFCCVEGCSA-N 1 1 317.345 2.861 20 5 DFBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(F)c1 ZINC000266943266 426800482 /nfs/dbraw/zinc/80/04/82/426800482.db2.gz XGTUMTWKYFVGTG-UHFFFAOYSA-N 1 1 306.341 2.841 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)cc1[N+](=O)[O-] ZINC000179576143 426802495 /nfs/dbraw/zinc/80/24/95/426802495.db2.gz KGQPUTBFJBHTCL-OAHLLOKOSA-N 1 1 322.405 2.692 20 5 DFBDMO CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000246255159 426815226 /nfs/dbraw/zinc/81/52/26/426815226.db2.gz PXGVGWGUVILAPH-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246455591 426835214 /nfs/dbraw/zinc/83/52/14/426835214.db2.gz YKIRANMWZPSIGZ-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000189347976 426842827 /nfs/dbraw/zinc/84/28/27/426842827.db2.gz BXZBMSSBVUMDBP-MLGOLLRUSA-N 1 1 308.378 2.850 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000189347976 426842830 /nfs/dbraw/zinc/84/28/30/426842830.db2.gz BXZBMSSBVUMDBP-MLGOLLRUSA-N 1 1 308.378 2.850 20 5 DFBDMO C[C@@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@H+]1C1CC1 ZINC000290805242 426843971 /nfs/dbraw/zinc/84/39/71/426843971.db2.gz QIVBIIZTRFCUBG-ZJUUUORDSA-N 1 1 301.350 2.508 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000290834538 426849776 /nfs/dbraw/zinc/84/97/76/426849776.db2.gz VACCIMQQEVSMAA-YPMHNXCESA-N 1 1 305.378 2.778 20 5 DFBDMO CCc1ccc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000266925938 426796962 /nfs/dbraw/zinc/79/69/62/426796962.db2.gz KBPDYZGCSVMDDU-AWEZNQCLSA-N 1 1 304.350 2.784 20 5 DFBDMO COC(=O)[C@]1(C)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282277952 426869627 /nfs/dbraw/zinc/86/96/27/426869627.db2.gz DSJUTGSGUNDKRA-XHBSWPGZSA-N 1 1 306.362 2.787 20 5 DFBDMO Cc1c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246896668 426876501 /nfs/dbraw/zinc/87/65/01/426876501.db2.gz YDBKLXCQPRLRKS-AAEUAGOBSA-N 1 1 320.393 2.850 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267413792 426879693 /nfs/dbraw/zinc/87/96/93/426879693.db2.gz QZKOBSGYLHUPKF-GHMZBOCLSA-N 1 1 323.780 2.557 20 5 DFBDMO CCOC(=O)CCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282356683 426888666 /nfs/dbraw/zinc/88/86/66/426888666.db2.gz CZYRZXCLPPKTDG-UHFFFAOYSA-N 1 1 308.378 2.803 20 5 DFBDMO COc1cc(C[N@@H+](CCO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000305832994 426913934 /nfs/dbraw/zinc/91/39/34/426913934.db2.gz ORCGDUUGPJVHLG-UHFFFAOYSA-N 1 1 308.378 2.730 20 5 DFBDMO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000247797777 426961971 /nfs/dbraw/zinc/96/19/71/426961971.db2.gz ZVQUXSJHHNBMLW-DGCLKSJQSA-N 1 1 306.391 2.936 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000247797777 426961983 /nfs/dbraw/zinc/96/19/83/426961983.db2.gz ZVQUXSJHHNBMLW-DGCLKSJQSA-N 1 1 306.391 2.936 20 5 DFBDMO CC(C)C[N@@H+]1CCO[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000181691650 426972466 /nfs/dbraw/zinc/97/24/66/426972466.db2.gz FNOQKOYJBWRQAZ-YOEHRIQHSA-N 1 1 321.421 2.602 20 5 DFBDMO CC(C)C[N@H+]1CCO[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000181691650 426972473 /nfs/dbraw/zinc/97/24/73/426972473.db2.gz FNOQKOYJBWRQAZ-YOEHRIQHSA-N 1 1 321.421 2.602 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248343569 426990578 /nfs/dbraw/zinc/99/05/78/426990578.db2.gz KMDTYDAIZOBTDC-WOPDTQHZSA-N 1 1 321.377 2.661 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1F ZINC000283064297 426944784 /nfs/dbraw/zinc/94/47/84/426944784.db2.gz JQXAKCLTUBOOHA-XJKSGUPXSA-N 1 1 308.353 2.861 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000283064292 426944901 /nfs/dbraw/zinc/94/49/01/426944901.db2.gz JQXAKCLTUBOOHA-CZUORRHYSA-N 1 1 308.353 2.861 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337870998 427011889 /nfs/dbraw/zinc/01/18/89/427011889.db2.gz NRBLGOSLSWYOEV-CABCVRRESA-N 1 1 319.405 2.710 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291917978 427025954 /nfs/dbraw/zinc/02/59/54/427025954.db2.gz LITQWYWTLBIDOD-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCSC[C@@H](C)C1 ZINC000248972796 427070555 /nfs/dbraw/zinc/07/05/55/427070555.db2.gz DMPJSAGFNUGZHP-NWDGAFQWSA-N 1 1 323.418 2.607 20 5 DFBDMO CO[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296090850 427073319 /nfs/dbraw/zinc/07/33/19/427073319.db2.gz QOUAPIDTKITXQS-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000296110047 427077934 /nfs/dbraw/zinc/07/79/34/427077934.db2.gz RHKJQJWPWORGLX-AWEZNQCLSA-N 1 1 319.361 2.983 20 5 DFBDMO CO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000296110047 427077938 /nfs/dbraw/zinc/07/79/38/427077938.db2.gz RHKJQJWPWORGLX-AWEZNQCLSA-N 1 1 319.361 2.983 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1F ZINC000292235900 427140169 /nfs/dbraw/zinc/14/01/69/427140169.db2.gz WIDNLNRJKFKFDP-AWEZNQCLSA-N 1 1 308.353 2.982 20 5 DFBDMO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000182766105 427141584 /nfs/dbraw/zinc/14/15/84/427141584.db2.gz YKPQDRJWSXSKEX-KGLIPLIRSA-N 1 1 318.377 2.604 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292241863 427142896 /nfs/dbraw/zinc/14/28/96/427142896.db2.gz WWKHBJWXSMDKRT-HNNXBMFYSA-N 1 1 320.389 2.852 20 5 DFBDMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000296357391 427155543 /nfs/dbraw/zinc/15/55/43/427155543.db2.gz RYJANDRCSOROMQ-XHDPSFHLSA-N 1 1 317.345 2.595 20 5 DFBDMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000296357391 427155549 /nfs/dbraw/zinc/15/55/49/427155549.db2.gz RYJANDRCSOROMQ-XHDPSFHLSA-N 1 1 317.345 2.595 20 5 DFBDMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000162497459 271084068 /nfs/dbraw/zinc/08/40/68/271084068.db2.gz FKMOVQNCHNUFJJ-GFCCVEGCSA-N 1 1 306.366 2.509 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000178530597 271195242 /nfs/dbraw/zinc/19/52/42/271195242.db2.gz GIBPBHRNTKKMSD-NSHDSACASA-N 1 1 324.352 2.898 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000178530597 271195246 /nfs/dbraw/zinc/19/52/46/271195246.db2.gz GIBPBHRNTKKMSD-NSHDSACASA-N 1 1 324.352 2.898 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC=C(C)C1 ZINC000280912657 271327191 /nfs/dbraw/zinc/32/71/91/271327191.db2.gz SGWCQZGOWMSQCZ-UHFFFAOYSA-N 1 1 319.361 2.584 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000302185964 271363127 /nfs/dbraw/zinc/36/31/27/271363127.db2.gz UTRAODIJUMOPFZ-DZGCQCFKSA-N 1 1 312.373 2.922 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCNC(=O)C(C)C ZINC000182997398 427179588 /nfs/dbraw/zinc/17/95/88/427179588.db2.gz HUIVMTHZAZVGJR-ZDUSSCGKSA-N 1 1 307.394 2.668 20 5 DFBDMO Cc1ccnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269384164 427183806 /nfs/dbraw/zinc/18/38/06/427183806.db2.gz ADLZSASRSVWQDM-DZGCQCFKSA-N 1 1 316.405 2.751 20 5 DFBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1F ZINC000284336295 427184832 /nfs/dbraw/zinc/18/48/32/427184832.db2.gz XDPLFSSFVQNVEQ-BXUZGUMPSA-N 1 1 323.368 2.501 20 5 DFBDMO Cc1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000269440631 427198173 /nfs/dbraw/zinc/19/81/73/427198173.db2.gz SMPXSYBHOYAFCL-HIFRSBDPSA-N 1 1 316.405 2.751 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269453536 427199954 /nfs/dbraw/zinc/19/99/54/427199954.db2.gz WMFMPAUCIVZNPZ-BBRMVZONSA-N 1 1 316.405 2.751 20 5 DFBDMO C[N@H+]1CCC[C@]2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292844515 427200763 /nfs/dbraw/zinc/20/07/63/427200763.db2.gz QTGISJXRSYMAKE-AWEZNQCLSA-N 1 1 310.785 2.565 20 5 DFBDMO C[N@H+]1CCC[C@@]2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292844517 427201062 /nfs/dbraw/zinc/20/10/62/427201062.db2.gz QTGISJXRSYMAKE-CQSZACIVSA-N 1 1 310.785 2.565 20 5 DFBDMO CC(=O)c1ccc(N(C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000269471792 427205647 /nfs/dbraw/zinc/20/56/47/427205647.db2.gz JFTLSBWFYTWHIA-UHFFFAOYSA-N 1 1 316.361 2.829 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSCC[C@@H]1C ZINC000285601589 427285291 /nfs/dbraw/zinc/28/52/91/427285291.db2.gz BWEPPPDFLUHOLL-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSCC[C@@H]1C ZINC000285601589 427285297 /nfs/dbraw/zinc/28/52/97/427285297.db2.gz BWEPPPDFLUHOLL-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183207213 427222362 /nfs/dbraw/zinc/22/23/62/427222362.db2.gz WJRLQQQBOHPNJB-CQSZACIVSA-N 1 1 306.362 2.678 20 5 DFBDMO CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000255030526 427235700 /nfs/dbraw/zinc/23/57/00/427235700.db2.gz MEMGCAKPSGRHBF-OCCSQVGLSA-N 1 1 305.378 2.504 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](O)CC3)co2)cc1 ZINC000293196418 427243177 /nfs/dbraw/zinc/24/31/77/427243177.db2.gz QNDIJEUYLVHHTE-HNNXBMFYSA-N 1 1 317.345 2.597 20 5 DFBDMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183310212 427245883 /nfs/dbraw/zinc/24/58/83/427245883.db2.gz YXGCBWVZXICNFW-HNNXBMFYSA-N 1 1 319.405 2.784 20 5 DFBDMO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1c(F)cncc1F ZINC000285535438 427262274 /nfs/dbraw/zinc/26/22/74/427262274.db2.gz FQSOOYZWUZSMNY-JTQLQIEISA-N 1 1 323.299 2.998 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000330589715 427270320 /nfs/dbraw/zinc/27/03/20/427270320.db2.gz POJKKHKPQGIEDW-MNOVXSKESA-N 1 1 307.350 2.739 20 5 DFBDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000183475655 427274788 /nfs/dbraw/zinc/27/47/88/427274788.db2.gz IINZQRQBEJVFDG-OAHLLOKOSA-N 1 1 314.389 2.898 20 5 DFBDMO CC[N@H+]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297003503 427302090 /nfs/dbraw/zinc/30/20/90/427302090.db2.gz GBUMIGJFCGQNOV-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277768433 427313978 /nfs/dbraw/zinc/31/39/78/427313978.db2.gz MVQBWTLXGVHKCH-WCQYABFASA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277768433 427313982 /nfs/dbraw/zinc/31/39/82/427313982.db2.gz MVQBWTLXGVHKCH-WCQYABFASA-N 1 1 318.295 2.730 20 5 DFBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000331113055 427347716 /nfs/dbraw/zinc/34/77/16/427347716.db2.gz JJNIMTJGYPRLLP-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)C[C@H]1C ZINC000330666391 427288232 /nfs/dbraw/zinc/28/82/32/427288232.db2.gz IDGFMHLYQANVDX-CYBMUJFWSA-N 1 1 307.394 2.518 20 5 DFBDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C2 ZINC000285635828 427296238 /nfs/dbraw/zinc/29/62/38/427296238.db2.gz YWKLXYDSXNMFRW-UHFFFAOYSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000331299139 427395383 /nfs/dbraw/zinc/39/53/83/427395383.db2.gz VIMQPINTSTVKDV-HUBLWGQQSA-N 1 1 308.378 2.585 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286049160 427410776 /nfs/dbraw/zinc/41/07/76/427410776.db2.gz ARAUPTNHTARCBZ-VIFPVBQESA-N 1 1 309.395 2.742 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2C(C)(C)O)ccc1[N+](=O)[O-] ZINC000331132883 427355018 /nfs/dbraw/zinc/35/50/18/427355018.db2.gz BKIYFTLOJIONPX-OAHLLOKOSA-N 1 1 308.378 2.729 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293555329 427362366 /nfs/dbraw/zinc/36/23/66/427362366.db2.gz FLWMBEBZUUUIAX-INIZCTEOSA-N 1 1 302.374 2.986 20 5 DFBDMO COc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000277952319 427369534 /nfs/dbraw/zinc/36/95/34/427369534.db2.gz IQQLCBOHVFGIMT-ZDUSSCGKSA-N 1 1 323.393 2.516 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000286251493 427469921 /nfs/dbraw/zinc/46/99/21/427469921.db2.gz APCXODPYDOOZOW-BOOVAVIHSA-N 1 1 306.337 2.589 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000286291961 427481061 /nfs/dbraw/zinc/48/10/61/427481061.db2.gz GVJWIJBSIQZJRK-UHFFFAOYSA-N 1 1 318.377 2.850 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191803266 427430306 /nfs/dbraw/zinc/43/03/06/427430306.db2.gz HLMSFAJXPANGGH-RISCZKNCSA-N 1 1 306.362 2.534 20 5 DFBDMO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000338795855 427495816 /nfs/dbraw/zinc/49/58/16/427495816.db2.gz PWCMFNOXQHORTO-TXEJJXNPSA-N 1 1 300.362 2.672 20 5 DFBDMO C[C@H]1CCCCN1C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000298036715 427509454 /nfs/dbraw/zinc/50/94/54/427509454.db2.gz CWMYVIQYYOIEMS-ZDUSSCGKSA-N 1 1 319.405 2.821 20 5 DFBDMO Cc1nc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000278962401 427516157 /nfs/dbraw/zinc/51/61/57/427516157.db2.gz BIUBFXHBINCSNO-CQSZACIVSA-N 1 1 315.377 2.576 20 5 DFBDMO Cc1nnc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000278962401 427516161 /nfs/dbraw/zinc/51/61/61/427516161.db2.gz BIUBFXHBINCSNO-CQSZACIVSA-N 1 1 315.377 2.576 20 5 DFBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000286413838 427519550 /nfs/dbraw/zinc/51/95/50/427519550.db2.gz KCLVSJFIFPLACR-ZDUSSCGKSA-N 1 1 323.368 2.615 20 5 DFBDMO CN(c1c(F)cc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286425452 427524966 /nfs/dbraw/zinc/52/49/66/427524966.db2.gz QCXLFXQIHLRHPB-ZACCUICWSA-N 1 1 311.332 2.934 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CC1CCCC1)CC2 ZINC000332172249 427532371 /nfs/dbraw/zinc/53/23/71/427532371.db2.gz SKCIIEALGQCODK-KRWDZBQOSA-N 1 1 304.390 2.894 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000192531544 427559967 /nfs/dbraw/zinc/55/99/67/427559967.db2.gz NJKOVDIRERKQFO-YPMHNXCESA-N 1 1 318.402 2.984 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000184918976 427563321 /nfs/dbraw/zinc/56/33/21/427563321.db2.gz NNEBEMUDENTWKQ-SICOMBFOSA-N 1 1 317.389 2.599 20 5 DFBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000298328732 427572291 /nfs/dbraw/zinc/57/22/91/427572291.db2.gz ZPOSVGDZCZAGCY-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccco1 ZINC000185150442 427603289 /nfs/dbraw/zinc/60/32/89/427603289.db2.gz KYUPSQLSFBDSNZ-UHFFFAOYSA-N 1 1 321.308 2.788 20 5 DFBDMO O=[N+]([O-])c1ccc(SCCC[NH+]2CCOCC2)c(F)c1 ZINC000185158811 427606540 /nfs/dbraw/zinc/60/65/40/427606540.db2.gz JRTVJMKLAQYIKM-UHFFFAOYSA-N 1 1 300.355 2.548 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCC[C@@H](C)C1 ZINC000298494265 427629656 /nfs/dbraw/zinc/62/96/56/427629656.db2.gz LHARXVJHGIXTNT-MNOVXSKESA-N 1 1 311.407 2.507 20 5 DFBDMO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1CO ZINC000294738154 427648341 /nfs/dbraw/zinc/64/83/41/427648341.db2.gz WRFRRPVXIDFAAB-TVQRCGJNSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1CO ZINC000294738154 427648349 /nfs/dbraw/zinc/64/83/49/427648349.db2.gz WRFRRPVXIDFAAB-TVQRCGJNSA-N 1 1 318.295 2.816 20 5 DFBDMO Cc1c(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000264065368 427649126 /nfs/dbraw/zinc/64/91/26/427649126.db2.gz LKMSOGRJTODYSX-INIZCTEOSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000264095316 427655577 /nfs/dbraw/zinc/65/55/77/427655577.db2.gz ADUJPPSWUGYNHL-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000185482722 427660926 /nfs/dbraw/zinc/66/09/26/427660926.db2.gz ILLPQAVGUXRHLS-GFCCVEGCSA-N 1 1 318.402 2.935 20 5 DFBDMO CC(=O)c1cc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000343220623 272098802 /nfs/dbraw/zinc/09/88/02/272098802.db2.gz YEPVRFXHSJVSIR-MRXNPFEDSA-N 1 1 305.378 2.574 20 5 DFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000343267870 272108956 /nfs/dbraw/zinc/10/89/56/272108956.db2.gz HGFUNMXBGVBIEZ-JTQLQIEISA-N 1 1 315.320 2.727 20 5 DFBDMO COc1cccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000185581667 427674268 /nfs/dbraw/zinc/67/42/68/427674268.db2.gz DLYGNYSGOVGUDP-STQMWFEESA-N 1 1 305.378 2.524 20 5 DFBDMO CC(C)[C@@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343693938 272202581 /nfs/dbraw/zinc/20/25/81/272202581.db2.gz PKGDGORNPGSVGT-GFCCVEGCSA-N 1 1 321.377 2.869 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000343907500 272235160 /nfs/dbraw/zinc/23/51/60/272235160.db2.gz AGSPTVXTRJWFRY-HOCLYGCPSA-N 1 1 319.405 2.532 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344027701 272251813 /nfs/dbraw/zinc/25/18/13/272251813.db2.gz JETBCGKMYAOYJA-DGCLKSJQSA-N 1 1 303.362 2.654 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344045605 272252777 /nfs/dbraw/zinc/25/27/77/272252777.db2.gz JYTSNVQMFQCQDN-RCBQFDQVSA-N 1 1 320.389 2.585 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](CO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000344123063 272268482 /nfs/dbraw/zinc/26/84/82/272268482.db2.gz GKWQRDRSCCWCBB-TZMCWYRMSA-N 1 1 308.378 2.586 20 5 DFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000344126399 272270101 /nfs/dbraw/zinc/27/01/01/272270101.db2.gz INAMPYTYRVXALM-MRXNPFEDSA-N 1 1 308.378 2.588 20 5 DFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@@H]1c1cccnc1 ZINC000344244733 272295893 /nfs/dbraw/zinc/29/58/93/272295893.db2.gz KYCXTYFWOKHQRQ-IAGOWNOFSA-N 1 1 313.357 2.952 20 5 DFBDMO Cc1c(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000344738694 272363944 /nfs/dbraw/zinc/36/39/44/272363944.db2.gz ZSXGCVUNQLQJJT-OAHLLOKOSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1nc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000295108018 427697775 /nfs/dbraw/zinc/69/77/75/427697775.db2.gz UYNPFFDBJFWVOT-DGCLKSJQSA-N 1 1 319.409 2.758 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCC[C@@H]1O ZINC000339189381 427723729 /nfs/dbraw/zinc/72/37/29/427723729.db2.gz QQXFZGBRQMJIFE-OLZOCXBDSA-N 1 1 318.295 2.959 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298807621 427709412 /nfs/dbraw/zinc/70/94/12/427709412.db2.gz NNXSADNQETVAFB-CYBMUJFWSA-N 1 1 317.345 2.555 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000298831587 427714027 /nfs/dbraw/zinc/71/40/27/427714027.db2.gz HFUJWKJCFOAGKU-STQMWFEESA-N 1 1 305.378 2.646 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287937895 427718047 /nfs/dbraw/zinc/71/80/47/427718047.db2.gz RHQNEWKMQUVBQD-MWLCHTKSSA-N 1 1 321.406 2.740 20 5 DFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000333978956 427719881 /nfs/dbraw/zinc/71/98/81/427719881.db2.gz QIKSKDQJYBNDPC-STQMWFEESA-N 1 1 320.393 2.837 20 5 DFBDMO C[C@H](c1ccccn1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299201454 427760969 /nfs/dbraw/zinc/76/09/69/427760969.db2.gz WCEOFTNXSHJMEW-CQSZACIVSA-N 1 1 312.373 2.873 20 5 DFBDMO CC(=O)c1ccc(N[C@H]2CCc3[nH+]c(C)cn3C2)c([N+](=O)[O-])c1 ZINC000301131916 427777501 /nfs/dbraw/zinc/77/75/01/427777501.db2.gz SIGKPRRQYPOBSB-ZDUSSCGKSA-N 1 1 314.345 2.729 20 5 DFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301284639 427786547 /nfs/dbraw/zinc/78/65/47/427786547.db2.gz LJPXOUDMNFOGAG-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO Cc1cccc(N2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)[nH+]1 ZINC000301312328 427787967 /nfs/dbraw/zinc/78/79/67/427787967.db2.gz IOQDBDKRXFSAIH-UHFFFAOYSA-N 1 1 313.361 2.774 20 5 DFBDMO CCC[N@H+]1CCCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301368849 427792323 /nfs/dbraw/zinc/79/23/23/427792323.db2.gz UFTGOMFMSFJUON-UHFFFAOYSA-N 1 1 311.357 2.665 20 5 DFBDMO Cc1ccc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c([N+](=O)[O-])c1 ZINC000301512777 427801615 /nfs/dbraw/zinc/80/16/15/427801615.db2.gz IZNCNIJHNNDFQF-CQSZACIVSA-N 1 1 307.394 2.672 20 5 DFBDMO COC(=O)c1cc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301606769 427809319 /nfs/dbraw/zinc/80/93/19/427809319.db2.gz NHNZQUGCLDDOCD-SMDDNHRTSA-N 1 1 321.377 2.522 20 5 DFBDMO Cc1nc(NCC[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301650412 427812756 /nfs/dbraw/zinc/81/27/56/427812756.db2.gz PQSJBLLGYSBIFN-UHFFFAOYSA-N 1 1 312.373 2.768 20 5 DFBDMO C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301864382 427830618 /nfs/dbraw/zinc/83/06/18/427830618.db2.gz GTWWTGAQLXJHHF-UHFFFAOYSA-N 1 1 307.394 2.914 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000301872840 427831425 /nfs/dbraw/zinc/83/14/25/427831425.db2.gz QJDSRIQNBUTHFJ-LSDHHAIUSA-N 1 1 305.378 2.568 20 5 DFBDMO COc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000301914101 427839289 /nfs/dbraw/zinc/83/92/89/427839289.db2.gz FLQAJIYUKHUUMM-GXFFZTMASA-N 1 1 311.357 2.883 20 5 DFBDMO C[C@H]1C[NH+](C(C)(C)CNc2sccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301919516 427841471 /nfs/dbraw/zinc/84/14/71/427841471.db2.gz CDERIOSLUCVBFB-QWRGUYRKSA-N 1 1 313.423 2.956 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc([N+](=O)[O-])c1 ZINC000337337479 427851005 /nfs/dbraw/zinc/85/10/05/427851005.db2.gz DYWMFBQNOBKIIG-OAHLLOKOSA-N 1 1 319.405 2.753 20 5 DFBDMO CCc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000345679989 427855976 /nfs/dbraw/zinc/85/59/76/427855976.db2.gz MWUPQBZVPQSNAR-ZDUSSCGKSA-N 1 1 319.405 2.619 20 5 DFBDMO CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000302791721 427871789 /nfs/dbraw/zinc/87/17/89/427871789.db2.gz YQLAAPUSHAPIID-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413180746 427982513 /nfs/dbraw/zinc/98/25/13/427982513.db2.gz ZGQZTTWNQOUDGX-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000413210240 427991150 /nfs/dbraw/zinc/99/11/50/427991150.db2.gz OUTPRPUYBYWSQV-CABCVRRESA-N 1 1 316.336 2.986 20 5 DFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)[C@@H](C)C[N@H+]1C ZINC000413217735 427992512 /nfs/dbraw/zinc/99/25/12/427992512.db2.gz DHSFJQKSHLXSQF-NEPJUHHUSA-N 1 1 300.362 2.672 20 5 DFBDMO Cc1c(-c2noc([C@H]3C[N@H+](C)C[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000351145348 428020851 /nfs/dbraw/zinc/02/08/51/428020851.db2.gz JVVUVVRTXXRMCA-SKDRFNHKSA-N 1 1 302.334 2.618 20 5 DFBDMO C[N@@H+](CCCCNc1nccc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000413345836 428027675 /nfs/dbraw/zinc/02/76/75/428027675.db2.gz GPGZCEGYAJEOAC-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000341261452 428031557 /nfs/dbraw/zinc/03/15/57/428031557.db2.gz PKXVCVYJQVZNMK-CQSZACIVSA-N 1 1 324.384 3.305 20 5 DFBDMO C[N@H+]1CCC[C@H](CCNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413435294 428048287 /nfs/dbraw/zinc/04/82/87/428048287.db2.gz HEUJOHPGUZUHCZ-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DFBDMO C[N@H+]1CCC[C@@H](CCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000413433310 428048726 /nfs/dbraw/zinc/04/87/26/428048726.db2.gz DDJSFRYXKKOCLM-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)C1 ZINC000413306475 428015900 /nfs/dbraw/zinc/01/59/00/428015900.db2.gz VSPAXCONKFDFKT-KRWDZBQOSA-N 1 1 312.373 2.675 20 5 DFBDMO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356342663 428133629 /nfs/dbraw/zinc/13/36/29/428133629.db2.gz OUMMBCDFBAGRPY-GFCCVEGCSA-N 1 1 323.393 2.541 20 5 DFBDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341663342 428146108 /nfs/dbraw/zinc/14/61/08/428146108.db2.gz XIFUHJFXTAWKSF-CYBMUJFWSA-N 1 1 318.377 2.968 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352540050 428140682 /nfs/dbraw/zinc/14/06/82/428140682.db2.gz GOKVEIWLMKZNBY-CABCVRRESA-N 1 1 319.405 2.662 20 5 DFBDMO CC[C@@H]1C[C@@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000356515519 428213392 /nfs/dbraw/zinc/21/33/92/428213392.db2.gz DTXXXNSDCOZOEU-XJKSGUPXSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000377825840 428238516 /nfs/dbraw/zinc/23/85/16/428238516.db2.gz GGVPOHDDNPXLTL-CQSZACIVSA-N 1 1 300.362 2.626 20 5 DFBDMO COCC[N@@H+](C)CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000342096540 428298591 /nfs/dbraw/zinc/29/85/91/428298591.db2.gz ODWSEZKZECGYMH-UHFFFAOYSA-N 1 1 322.192 2.892 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773690 428242752 /nfs/dbraw/zinc/24/27/52/428242752.db2.gz UFCHADOYMZORIJ-UKRRQHHQSA-N 1 1 321.421 2.766 20 5 DFBDMO COc1cc(C[N@@H+](C)CCc2ccccn2)ccc1[N+](=O)[O-] ZINC000352780231 428247079 /nfs/dbraw/zinc/24/70/79/428247079.db2.gz SFGVSLFEHFKPMX-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000377862863 428250954 /nfs/dbraw/zinc/25/09/54/428250954.db2.gz ZVIWWXZBXSUFEU-HNNXBMFYSA-N 1 1 314.389 2.794 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000370879739 428313255 /nfs/dbraw/zinc/31/32/55/428313255.db2.gz YCBQEKJVNCQLAQ-KBPBESRZSA-N 1 1 311.332 2.936 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000353005384 428345606 /nfs/dbraw/zinc/34/56/06/428345606.db2.gz CRYINOJVSOAALM-LBPRGKRZSA-N 1 1 300.305 2.698 20 5 DFBDMO Cc1[nH+]c(CNCc2csc([N+](=O)[O-])c2)c2n1CCCC2 ZINC000378399543 428388670 /nfs/dbraw/zinc/38/86/70/428388670.db2.gz UQSDRYVHOYMOGB-UHFFFAOYSA-N 1 1 306.391 2.787 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353030508 428362221 /nfs/dbraw/zinc/36/22/21/428362221.db2.gz RZRJAQWMHNTOIY-JTQLQIEISA-N 1 1 316.304 2.665 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353030508 428362225 /nfs/dbraw/zinc/36/22/25/428362225.db2.gz RZRJAQWMHNTOIY-JTQLQIEISA-N 1 1 316.304 2.665 20 5 DFBDMO C[C@H](C1CCC1)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357046323 428371469 /nfs/dbraw/zinc/37/14/69/428371469.db2.gz UWTZVDDTRPNATO-GFCCVEGCSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000342291420 428387098 /nfs/dbraw/zinc/38/70/98/428387098.db2.gz DHVHAUBOBYZFCP-LLVKDONJSA-N 1 1 317.389 2.550 20 5 DFBDMO Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000372416794 428446780 /nfs/dbraw/zinc/44/67/80/428446780.db2.gz RFDMOADSRJHBNX-HZPDHXFCSA-N 1 1 303.406 2.962 20 5 DFBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc2ccccc2o1 ZINC000342757861 428446928 /nfs/dbraw/zinc/44/69/28/428446928.db2.gz RZIGYVMQMSIWON-JTQLQIEISA-N 1 1 300.318 2.925 20 5 DFBDMO N[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414890535 428448101 /nfs/dbraw/zinc/44/81/01/428448101.db2.gz MWXAZSVJRXZVMV-IMJJTQAJSA-N 1 1 303.406 2.633 20 5 DFBDMO CO[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000372975705 428507993 /nfs/dbraw/zinc/50/79/93/428507993.db2.gz OVECINHKEHJODJ-ZDUSSCGKSA-N 1 1 309.322 2.504 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000360959107 428510290 /nfs/dbraw/zinc/51/02/90/428510290.db2.gz FIMQDUJFSBLDMB-RYUDHWBXSA-N 1 1 309.414 2.794 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000347256411 428515246 /nfs/dbraw/zinc/51/52/46/428515246.db2.gz GVDHOZCMPBWGMS-WDEREUQCSA-N 1 1 324.356 2.680 20 5 DFBDMO C[C@@H]1C[C@@H]1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353408671 428524519 /nfs/dbraw/zinc/52/45/19/428524519.db2.gz UPYRRIPBHNAZNP-UXIGCNINSA-N 1 1 300.362 2.663 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCCCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000372590561 428471399 /nfs/dbraw/zinc/47/13/99/428471399.db2.gz RHSOAYLURCYWIH-ZFWWWQNUSA-N 1 1 317.389 2.848 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000360882938 428476641 /nfs/dbraw/zinc/47/66/41/428476641.db2.gz HRCCVISDXBLPPS-CQSZACIVSA-N 1 1 304.394 2.975 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cnn(C)c1 ZINC000347318547 428542641 /nfs/dbraw/zinc/54/26/41/428542641.db2.gz NPGIMLAFDNBAET-QPEQYQDCSA-N 1 1 300.362 2.864 20 5 DFBDMO COCC1(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000361373475 428563102 /nfs/dbraw/zinc/56/31/02/428563102.db2.gz BXXLOXKGOAEDIC-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO COCC1(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000361373475 428563106 /nfs/dbraw/zinc/56/31/06/428563106.db2.gz BXXLOXKGOAEDIC-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000408079823 428598884 /nfs/dbraw/zinc/59/88/84/428598884.db2.gz OKDDMNUEEDFVAY-STQMWFEESA-N 1 1 319.405 2.685 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000408079823 428598890 /nfs/dbraw/zinc/59/88/90/428598890.db2.gz OKDDMNUEEDFVAY-STQMWFEESA-N 1 1 319.405 2.685 20 5 DFBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344030463 428611918 /nfs/dbraw/zinc/61/19/18/428611918.db2.gz BQPZXGRRXHEEAE-ZIAGYGMSSA-N 1 1 322.405 2.703 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000408243264 428626640 /nfs/dbraw/zinc/62/66/40/428626640.db2.gz FJSUDOMLQXNLSV-QWHCGFSZSA-N 1 1 320.393 2.768 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC(F)(F)F)c(Cl)c1 ZINC000344303543 428630106 /nfs/dbraw/zinc/63/01/06/428630106.db2.gz MSTXAPWABYMLPC-QMMMGPOBSA-N 1 1 312.675 2.651 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000348201700 428652460 /nfs/dbraw/zinc/65/24/60/428652460.db2.gz XJTATHCNYALJSS-INIZCTEOSA-N 1 1 319.405 2.532 20 5 DFBDMO CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348201700 428652465 /nfs/dbraw/zinc/65/24/65/428652465.db2.gz XJTATHCNYALJSS-INIZCTEOSA-N 1 1 319.405 2.532 20 5 DFBDMO CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000348201700 428652471 /nfs/dbraw/zinc/65/24/71/428652471.db2.gz XJTATHCNYALJSS-INIZCTEOSA-N 1 1 319.405 2.532 20 5 DFBDMO CCc1ccc(C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000344470112 428654733 /nfs/dbraw/zinc/65/47/33/428654733.db2.gz VJVGZOUOAKLFGJ-BETUJISGSA-N 1 1 319.405 2.712 20 5 DFBDMO C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067378514 274291943 /nfs/dbraw/zinc/29/19/43/274291943.db2.gz PZZGYHZADNCUNS-CZUORRHYSA-N 1 1 317.389 2.822 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000066532419 274295528 /nfs/dbraw/zinc/29/55/28/274295528.db2.gz XFFKZGXMRTWEDJ-BETUJISGSA-N 1 1 317.389 2.747 20 5 DFBDMO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1CO ZINC000294738150 274302520 /nfs/dbraw/zinc/30/25/20/274302520.db2.gz WRFRRPVXIDFAAB-RNCFNFMXSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1CO ZINC000294738150 274302521 /nfs/dbraw/zinc/30/25/21/274302521.db2.gz WRFRRPVXIDFAAB-RNCFNFMXSA-N 1 1 318.295 2.816 20 5 DFBDMO COc1cc(C[N@H+](C[C@@H](C)OC)C(C)C)c([N+](=O)[O-])cc1F ZINC000362328940 428705152 /nfs/dbraw/zinc/70/51/52/428705152.db2.gz XIBTVIMSSRKHGF-LLVKDONJSA-N 1 1 314.357 2.988 20 5 DFBDMO C[C@@H]1CC[C@@H]1[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353800525 428721721 /nfs/dbraw/zinc/72/17/21/428721721.db2.gz CVUDDAOSZBADMC-BYCMXARLSA-N 1 1 300.362 2.806 20 5 DFBDMO COc1ccc(C[N@H+](C)Cc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000353743053 428688746 /nfs/dbraw/zinc/68/87/46/428688746.db2.gz BJUAGMZVPWTQCR-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO COc1ccc(C[N@@H+](C)Cc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000353743053 428688753 /nfs/dbraw/zinc/68/87/53/428688753.db2.gz BJUAGMZVPWTQCR-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](CC)C1CC1 ZINC000353913880 428775613 /nfs/dbraw/zinc/77/56/13/428775613.db2.gz QJCVGOFDGFSFTK-UHFFFAOYSA-N 1 1 320.393 2.763 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411359622 428783560 /nfs/dbraw/zinc/78/35/60/428783560.db2.gz DWPJDFVUIRYNKC-NSHDSACASA-N 1 1 309.366 2.662 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362453900 428752203 /nfs/dbraw/zinc/75/22/03/428752203.db2.gz XXJXCYRYSHTLRH-IUODEOHRSA-N 1 1 306.362 2.604 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000359096566 428813687 /nfs/dbraw/zinc/81/36/87/428813687.db2.gz PJUBLJAVSNEXAG-KBPBESRZSA-N 1 1 304.394 2.670 20 5 DFBDMO O=C(CC[N@H+]1CC[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411568336 428818490 /nfs/dbraw/zinc/81/84/90/428818490.db2.gz KCOLBZLJFXIANI-WFASDCNBSA-N 1 1 303.362 2.798 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000349043061 428907818 /nfs/dbraw/zinc/90/78/18/428907818.db2.gz XKFMVKWTTYSLGI-WDBUWWRISA-N 1 1 308.353 2.795 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](F)(CO)C1 ZINC000349043061 428907821 /nfs/dbraw/zinc/90/78/21/428907821.db2.gz XKFMVKWTTYSLGI-WDBUWWRISA-N 1 1 308.353 2.795 20 5 DFBDMO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000354084887 428855094 /nfs/dbraw/zinc/85/50/94/428855094.db2.gz RTCGWDUUMYENOC-INIZCTEOSA-N 1 1 321.421 2.528 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000354112592 428868193 /nfs/dbraw/zinc/86/81/93/428868193.db2.gz ZLMZBSYGHLBQRX-HZPDHXFCSA-N 1 1 319.405 2.816 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000354112592 428868199 /nfs/dbraw/zinc/86/81/99/428868199.db2.gz ZLMZBSYGHLBQRX-HZPDHXFCSA-N 1 1 319.405 2.816 20 5 DFBDMO Cc1c([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000363153525 428871930 /nfs/dbraw/zinc/87/19/30/428871930.db2.gz SMSRQLBQXCWOSI-INIZCTEOSA-N 1 1 300.362 2.974 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375417979 428879461 /nfs/dbraw/zinc/87/94/61/428879461.db2.gz WPPARIUKALYFAZ-ZDUSSCGKSA-N 1 1 314.345 2.845 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000375468618 428891908 /nfs/dbraw/zinc/89/19/08/428891908.db2.gz FRWNDXMVSNKMQF-DFBGVHRSSA-N 1 1 308.353 2.979 20 5 DFBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000412039098 428919089 /nfs/dbraw/zinc/91/90/89/428919089.db2.gz PHDZORZMSCSWLO-CQSZACIVSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1nnc([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412048276 428925474 /nfs/dbraw/zinc/92/54/74/428925474.db2.gz WLCIVIPAVSGILM-CMPLNLGQSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000412048276 428925480 /nfs/dbraw/zinc/92/54/80/428925480.db2.gz WLCIVIPAVSGILM-CMPLNLGQSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1n[nH]c([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000412048276 428925484 /nfs/dbraw/zinc/92/54/84/428925484.db2.gz WLCIVIPAVSGILM-CMPLNLGQSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412048276 428925488 /nfs/dbraw/zinc/92/54/88/428925488.db2.gz WLCIVIPAVSGILM-CMPLNLGQSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412048276 428925495 /nfs/dbraw/zinc/92/54/95/428925495.db2.gz WLCIVIPAVSGILM-CMPLNLGQSA-N 1 1 301.350 2.572 20 5 DFBDMO CCc1nn(C)c(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354323960 428966926 /nfs/dbraw/zinc/96/69/26/428966926.db2.gz ISGOEAXKFGGKEZ-TXEJJXNPSA-N 1 1 309.414 2.566 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412158755 428968016 /nfs/dbraw/zinc/96/80/16/428968016.db2.gz MUMOAEXXCUTUPL-JKSUJKDBSA-N 1 1 319.405 2.546 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000421747238 429026149 /nfs/dbraw/zinc/02/61/49/429026149.db2.gz BLZJFOQKUZUTNN-AWEZNQCLSA-N 1 1 319.405 2.816 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000421765259 429029211 /nfs/dbraw/zinc/02/92/11/429029211.db2.gz YKZFNDHSDKPOLT-UHFFFAOYSA-N 1 1 319.405 2.768 20 5 DFBDMO Cc1cccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000375798206 428979040 /nfs/dbraw/zinc/97/90/40/428979040.db2.gz WEVODSQJDGNKAQ-KGLIPLIRSA-N 1 1 317.389 2.602 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808614 428981161 /nfs/dbraw/zinc/98/11/61/428981161.db2.gz DCNYQRXJSIONCI-IAGOWNOFSA-N 1 1 303.406 2.696 20 5 DFBDMO CN1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808614 428981167 /nfs/dbraw/zinc/98/11/67/428981167.db2.gz DCNYQRXJSIONCI-IAGOWNOFSA-N 1 1 303.406 2.696 20 5 DFBDMO CN1CCC[C@@H]1[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808614 428981171 /nfs/dbraw/zinc/98/11/71/428981171.db2.gz DCNYQRXJSIONCI-IAGOWNOFSA-N 1 1 303.406 2.696 20 5 DFBDMO COc1ccc(CN2CCC[C@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000375809584 428983402 /nfs/dbraw/zinc/98/34/02/428983402.db2.gz FHAXYVBITQTYMO-CABCVRRESA-N 1 1 319.405 2.662 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000375817633 428986089 /nfs/dbraw/zinc/98/60/89/428986089.db2.gz UUUWJUWMWMGCNF-WCQYABFASA-N 1 1 320.349 2.566 20 5 DFBDMO COC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000452044672 429041298 /nfs/dbraw/zinc/04/12/98/429041298.db2.gz WRQOSUAKZXBICE-GFCCVEGCSA-N 1 1 312.341 2.743 20 5 DFBDMO COC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000452044672 429041302 /nfs/dbraw/zinc/04/13/02/429041302.db2.gz WRQOSUAKZXBICE-GFCCVEGCSA-N 1 1 312.341 2.743 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452065240 429047695 /nfs/dbraw/zinc/04/76/95/429047695.db2.gz HLPMGWBPODPPGO-WFASDCNBSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452065240 429047702 /nfs/dbraw/zinc/04/77/02/429047702.db2.gz HLPMGWBPODPPGO-WFASDCNBSA-N 1 1 308.378 2.585 20 5 DFBDMO COC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000452094192 429055259 /nfs/dbraw/zinc/05/52/59/429055259.db2.gz VTLPYDGYBVVGEL-AWEZNQCLSA-N 1 1 308.378 2.722 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452113468 429061527 /nfs/dbraw/zinc/06/15/27/429061527.db2.gz BZRXOGAHGXNYEU-CYBMUJFWSA-N 1 1 308.378 2.588 20 5 DFBDMO CC(=O)c1cc(N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000376222153 429079153 /nfs/dbraw/zinc/07/91/53/429079153.db2.gz PDPVXCFVKRIDFY-IRXDYDNUSA-N 1 1 317.389 2.860 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376235244 429082774 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DFBDMO CCOCC[N@@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000107677831 185488048 /nfs/dbraw/zinc/48/80/48/185488048.db2.gz TXDGDSHRYFCJFZ-UHFFFAOYSA-N 1 1 320.349 2.503 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000016484713 282371099 /nfs/dbraw/zinc/37/10/99/282371099.db2.gz OUBDHVCHGSHIGS-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000016484713 282371102 /nfs/dbraw/zinc/37/11/02/282371102.db2.gz OUBDHVCHGSHIGS-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO NC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000596648176 398471520 /nfs/dbraw/zinc/47/15/20/398471520.db2.gz KPDSJEBWVBHKJH-HNNXBMFYSA-N 1 1 303.406 2.777 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000588037886 398477817 /nfs/dbraw/zinc/47/78/17/398477817.db2.gz XNLPIUCGFJKPLG-UHFFFAOYSA-N 1 1 301.350 2.645 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C(C1CC1)C1CC1 ZINC000050989351 282394807 /nfs/dbraw/zinc/39/48/07/282394807.db2.gz RIUMXTHPAWTKHP-UHFFFAOYSA-N 1 1 317.389 2.962 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000330931522 232175249 /nfs/dbraw/zinc/17/52/49/232175249.db2.gz UNBFNHPGBJPFHO-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000330931522 232175251 /nfs/dbraw/zinc/17/52/51/232175251.db2.gz UNBFNHPGBJPFHO-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592743599 398479855 /nfs/dbraw/zinc/47/98/55/398479855.db2.gz FSGHKIRMWRNYEL-LLVKDONJSA-N 1 1 302.334 2.944 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCCC[C@H]12 ZINC000090517121 398488594 /nfs/dbraw/zinc/48/85/94/398488594.db2.gz MAUTWAZFQMCCLK-BMFZPTHFSA-N 1 1 319.405 2.657 20 5 DFBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CC[N@@H+](C)C1 ZINC000592830911 398491842 /nfs/dbraw/zinc/49/18/42/398491842.db2.gz HUJZTNIEANFALA-NSHDSACASA-N 1 1 311.407 2.521 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689105 210096353 /nfs/dbraw/zinc/09/63/53/210096353.db2.gz WUGCVZDNJVIHEU-UXILZDJPSA-N 1 1 301.390 2.634 20 5 DFBDMO Cc1cncc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000593022087 398522817 /nfs/dbraw/zinc/52/28/17/398522817.db2.gz DRZGCMIYYLCAQM-UHFFFAOYSA-N 1 1 312.373 2.900 20 5 DFBDMO Cn1ccnc1[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589199828 398536709 /nfs/dbraw/zinc/53/67/09/398536709.db2.gz OJIGNIJTVRRYCK-ZDTYVGOBSA-N 1 1 312.373 2.831 20 5 DFBDMO COCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000068911170 398537094 /nfs/dbraw/zinc/53/70/94/398537094.db2.gz SCQFUGQMNRDXAI-GFCCVEGCSA-N 1 1 313.785 2.771 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000032731441 398537518 /nfs/dbraw/zinc/53/75/18/398537518.db2.gz MWNHNTOWHYGXHU-OLZOCXBDSA-N 1 1 305.378 2.588 20 5 DFBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000068905715 398537582 /nfs/dbraw/zinc/53/75/82/398537582.db2.gz XFQITWHIMDKYKQ-UHFFFAOYSA-N 1 1 305.378 2.589 20 5 DFBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000032731296 398537684 /nfs/dbraw/zinc/53/76/84/398537684.db2.gz VPVZABMHIBSDKG-STQMWFEESA-N 1 1 305.378 2.588 20 5 DFBDMO CCc1nn(C)c(NC[C@@H]2CCCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000091670627 398539061 /nfs/dbraw/zinc/53/90/61/398539061.db2.gz BEVQPDMNLPARLO-ZDUSSCGKSA-N 1 1 323.441 2.813 20 5 DFBDMO Cc1c(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)cccc1[N+](=O)[O-] ZINC000414129295 295770439 /nfs/dbraw/zinc/77/04/39/295770439.db2.gz IAGJOANXHKSVNZ-LBPRGKRZSA-N 1 1 300.362 2.897 20 5 DFBDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000593107740 398547783 /nfs/dbraw/zinc/54/77/83/398547783.db2.gz HYOQRLGLWYNGGW-SECBINFHSA-N 1 1 317.183 2.560 20 5 DFBDMO COC(=O)c1oc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000597047818 398554641 /nfs/dbraw/zinc/55/46/41/398554641.db2.gz UKKHFAYGYWTPAF-UHFFFAOYSA-N 1 1 304.302 2.573 20 5 DFBDMO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1C1CC1 ZINC000589517593 398558531 /nfs/dbraw/zinc/55/85/31/398558531.db2.gz LLRRZUSPKSQPLK-INIZCTEOSA-N 1 1 318.373 2.986 20 5 DFBDMO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]1C1CC1 ZINC000589517593 398558535 /nfs/dbraw/zinc/55/85/35/398558535.db2.gz LLRRZUSPKSQPLK-INIZCTEOSA-N 1 1 318.373 2.986 20 5 DFBDMO C[C@H](C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000593189183 398567888 /nfs/dbraw/zinc/56/78/88/398567888.db2.gz JPTXTZBYFOQJTA-RQJABVFESA-N 1 1 319.405 2.638 20 5 DFBDMO CC[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000593250401 398580970 /nfs/dbraw/zinc/58/09/70/398580970.db2.gz MCTDLXYSYZOMDG-UHFFFAOYSA-N 1 1 323.393 2.962 20 5 DFBDMO CCOc1cc(N[C@@H]2CCc3[nH+]c(C)cn3C2)ccc1[N+](=O)[O-] ZINC000092634650 398588943 /nfs/dbraw/zinc/58/89/43/398588943.db2.gz JISWPRCTAXXEEJ-CYBMUJFWSA-N 1 1 316.361 2.925 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092649378 398589487 /nfs/dbraw/zinc/58/94/87/398589487.db2.gz IOKXWWDFFBXDRU-JTQLQIEISA-N 1 1 320.324 2.850 20 5 DFBDMO CC[N@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000590083849 398594488 /nfs/dbraw/zinc/59/44/88/398594488.db2.gz XGNHMBDXJWYSAX-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072698065 398630298 /nfs/dbraw/zinc/63/02/98/398630298.db2.gz MKPNKHQLDIXPLN-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072697579 398630408 /nfs/dbraw/zinc/63/04/08/398630408.db2.gz IYIUWXWDHTUKBH-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000593468374 398638573 /nfs/dbraw/zinc/63/85/73/398638573.db2.gz FKKKSSAMBQXFNB-SJCJKPOMSA-N 1 1 312.373 2.673 20 5 DFBDMO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[N@H+]1C ZINC000593470106 398639267 /nfs/dbraw/zinc/63/92/67/398639267.db2.gz PSHYZJPFOZZWDX-NEPJUHHUSA-N 1 1 300.362 2.672 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000177891896 186199926 /nfs/dbraw/zinc/19/99/26/186199926.db2.gz KXWRHVSTEIWNGP-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000177891896 186199928 /nfs/dbraw/zinc/19/99/28/186199928.db2.gz KXWRHVSTEIWNGP-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@@H]1C ZINC000179683534 186204984 /nfs/dbraw/zinc/20/49/84/186204984.db2.gz QWDUNKJEOMBGCC-RYUDHWBXSA-N 1 1 306.362 2.939 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000072873615 398644094 /nfs/dbraw/zinc/64/40/94/398644094.db2.gz ZVQAALZLPODHQC-TUAOUCFPSA-N 1 1 321.377 2.518 20 5 DFBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000051063048 425882466 /nfs/dbraw/zinc/88/24/66/425882466.db2.gz JZTUQQYLHQCHHG-HNNXBMFYSA-N 1 1 319.405 2.723 20 5 DFBDMO CCOC[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000459726521 299173811 /nfs/dbraw/zinc/17/38/11/299173811.db2.gz XUFFDXGJMYGCFM-AWEZNQCLSA-N 1 1 308.378 2.865 20 5 DFBDMO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000285899229 186565096 /nfs/dbraw/zinc/56/50/96/186565096.db2.gz ZQYRJPVTIHRFBR-SNVBAGLBSA-N 1 1 323.299 2.998 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC13CCCC3)OCCO2 ZINC000593645088 398664881 /nfs/dbraw/zinc/66/48/81/398664881.db2.gz JOZKFYFCPUNCEY-UHFFFAOYSA-N 1 1 304.346 2.885 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000072897391 191249555 /nfs/dbraw/zinc/24/95/55/191249555.db2.gz VOXSOTMOHIHWCS-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000072897391 191249557 /nfs/dbraw/zinc/24/95/57/191249557.db2.gz VOXSOTMOHIHWCS-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859905 398705973 /nfs/dbraw/zinc/70/59/73/398705973.db2.gz ZZAIUJSQQBLWIV-ZDUSSCGKSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859904 398706162 /nfs/dbraw/zinc/70/61/62/398706162.db2.gz ZZAIUJSQQBLWIV-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597857598 398705530 /nfs/dbraw/zinc/70/55/30/398705530.db2.gz GIENHMFJFWHLKH-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174869486 198395475 /nfs/dbraw/zinc/39/54/75/198395475.db2.gz ZDWIZWSXWUVSOS-HUUCEWRRSA-N 1 1 314.389 2.978 20 5 DFBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccco2)C1 ZINC000174882908 198397264 /nfs/dbraw/zinc/39/72/64/198397264.db2.gz MHBNXWDXXGTIJZ-JSGCOSHPSA-N 1 1 304.350 2.858 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597924458 398722301 /nfs/dbraw/zinc/72/23/01/398722301.db2.gz RYXOGUBGSBEPSJ-ZDUSSCGKSA-N 1 1 319.405 2.814 20 5 DFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCC1CCOCC1)CC2 ZINC000332497695 235035392 /nfs/dbraw/zinc/03/53/92/235035392.db2.gz ZJJFFCZNIYTCES-UHFFFAOYSA-N 1 1 305.378 2.555 20 5 DFBDMO COC[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112986144 398737429 /nfs/dbraw/zinc/73/74/29/398737429.db2.gz MJWJTZMHFQPEOP-CQSZACIVSA-N 1 1 308.378 2.722 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](C3CCC3)C1)OCCO2 ZINC000591267713 398743673 /nfs/dbraw/zinc/74/36/73/398743673.db2.gz DQLUAPNPDHMUBI-ZDUSSCGKSA-N 1 1 318.373 2.988 20 5 DFBDMO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000074726043 398762322 /nfs/dbraw/zinc/76/23/22/398762322.db2.gz GOSGMOBINKFZBU-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594202783 398764795 /nfs/dbraw/zinc/76/47/95/398764795.db2.gz RTGGECFYJDPIGS-UONOGXRCSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000594203896 398764934 /nfs/dbraw/zinc/76/49/34/398764934.db2.gz VIWAJNDHEAQGRD-CVEARBPZSA-N 1 1 317.389 2.650 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCC[NH2+]C1CC1 ZINC000591577314 398773089 /nfs/dbraw/zinc/77/30/89/398773089.db2.gz OUPVVBNTVHUDFE-XJKSGUPXSA-N 1 1 303.406 2.648 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000276942869 213192635 /nfs/dbraw/zinc/19/26/35/213192635.db2.gz SOQKGFLQNMYGHW-AWEZNQCLSA-N 1 1 308.378 2.994 20 5 DFBDMO CC(C)OC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135235793 283211902 /nfs/dbraw/zinc/21/19/02/283211902.db2.gz UBAWOQCRSYZCIU-UHFFFAOYSA-N 1 1 306.362 2.901 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000276899266 213162913 /nfs/dbraw/zinc/16/29/13/213162913.db2.gz LOEMZNZSRIISAS-UKRRQHHQSA-N 1 1 308.378 2.586 20 5 DFBDMO C[N@@H+](CCC(=O)OC(C)(C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC000150955795 283272049 /nfs/dbraw/zinc/27/20/49/283272049.db2.gz YTMMIFNPFDEIEZ-UHFFFAOYSA-N 1 1 308.378 2.801 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594604441 398829900 /nfs/dbraw/zinc/82/99/00/398829900.db2.gz ZFCPAYGKPDXRDW-OLZOCXBDSA-N 1 1 307.398 2.548 20 5 DFBDMO Cc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccn1 ZINC000598586818 398835740 /nfs/dbraw/zinc/83/57/40/398835740.db2.gz DVLBJLWXMBOUGI-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)C1CC1 ZINC000129996541 398841248 /nfs/dbraw/zinc/84/12/48/398841248.db2.gz SHMSDSILECQIKT-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@]1(O)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180193193 199128908 /nfs/dbraw/zinc/12/89/08/199128908.db2.gz XDFMGNYDVUSPOU-INIZCTEOSA-N 1 1 302.330 2.812 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598678388 398854488 /nfs/dbraw/zinc/85/44/88/398854488.db2.gz XDZPKHYTUMYJCZ-XLQKBUROSA-N 1 1 304.390 2.948 20 5 DFBDMO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594925985 398873332 /nfs/dbraw/zinc/87/33/32/398873332.db2.gz QXKQXJFOTZHXJR-UHFFFAOYSA-N 1 1 314.267 2.637 20 5 DFBDMO O=[N+]([O-])c1cccnc1NCC[N@@H+]1CCc2sccc2C1 ZINC000053580023 398877755 /nfs/dbraw/zinc/87/77/55/398877755.db2.gz NDQKTWOPFQAHRF-UHFFFAOYSA-N 1 1 304.375 2.522 20 5 DFBDMO O=[N+]([O-])c1cccnc1NCC[N@H+]1CCc2sccc2C1 ZINC000053580023 398877758 /nfs/dbraw/zinc/87/77/58/398877758.db2.gz NDQKTWOPFQAHRF-UHFFFAOYSA-N 1 1 304.375 2.522 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000594957526 398881771 /nfs/dbraw/zinc/88/17/71/398881771.db2.gz QUBJADJMRBVRTL-UHFFFAOYSA-N 1 1 312.373 2.880 20 5 DFBDMO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015742 398891561 /nfs/dbraw/zinc/89/15/61/398891561.db2.gz GNFKGGJDGSKYPU-UONOGXRCSA-N 1 1 321.421 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000595009044 398890721 /nfs/dbraw/zinc/89/07/21/398890721.db2.gz BCWJMCXCNOBEFW-WQGACYEGSA-N 1 1 319.405 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000595009044 398890722 /nfs/dbraw/zinc/89/07/22/398890722.db2.gz BCWJMCXCNOBEFW-WQGACYEGSA-N 1 1 319.405 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000595027752 398894203 /nfs/dbraw/zinc/89/42/03/398894203.db2.gz SDUQNQABBZUPMH-LBPRGKRZSA-N 1 1 305.378 2.516 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000595027752 398894207 /nfs/dbraw/zinc/89/42/07/398894207.db2.gz SDUQNQABBZUPMH-LBPRGKRZSA-N 1 1 305.378 2.516 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cc1cc(C)[nH]n1 ZINC000595023901 398894399 /nfs/dbraw/zinc/89/43/99/398894399.db2.gz ZIWBHEGTHITVFP-JQWIXIFHSA-N 1 1 318.377 2.917 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000595053409 398897995 /nfs/dbraw/zinc/89/79/95/398897995.db2.gz YAKXZIKPKFLXQO-WDEREUQCSA-N 1 1 316.361 2.535 20 5 DFBDMO C[N@H+]1CCCC[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000598994335 398904989 /nfs/dbraw/zinc/90/49/89/398904989.db2.gz KGUZIADPTRDGLP-PPYMECGQSA-N 1 1 303.406 2.930 20 5 DFBDMO C[N@@H+]1CCCC[C@@H](CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000598994335 398904991 /nfs/dbraw/zinc/90/49/91/398904991.db2.gz KGUZIADPTRDGLP-PPYMECGQSA-N 1 1 303.406 2.930 20 5 DFBDMO C[N@H+]1CCCC[C@@H](CNC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000598994335 398904993 /nfs/dbraw/zinc/90/49/93/398904993.db2.gz KGUZIADPTRDGLP-PPYMECGQSA-N 1 1 303.406 2.930 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000470214779 299293674 /nfs/dbraw/zinc/29/36/74/299293674.db2.gz HDAJPYZMSWWYJX-IDJPSDCMSA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000470214779 299293675 /nfs/dbraw/zinc/29/36/75/299293675.db2.gz HDAJPYZMSWWYJX-IDJPSDCMSA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCN(C)C1 ZINC000470214779 299293677 /nfs/dbraw/zinc/29/36/77/299293677.db2.gz HDAJPYZMSWWYJX-IDJPSDCMSA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCN(C)C1 ZINC000470214779 299293679 /nfs/dbraw/zinc/29/36/79/299293679.db2.gz HDAJPYZMSWWYJX-IDJPSDCMSA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000470204604 299293112 /nfs/dbraw/zinc/29/31/12/299293112.db2.gz AMYSNKNCUXGEPC-ASVNSTDUSA-N 1 1 302.374 2.701 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187935607 200178924 /nfs/dbraw/zinc/17/89/24/200178924.db2.gz WHJYGMZQDTYWOW-WBMJQRKESA-N 1 1 308.378 2.586 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187935549 200179190 /nfs/dbraw/zinc/17/91/90/200179190.db2.gz WHJYGMZQDTYWOW-MLGOLLRUSA-N 1 1 308.378 2.586 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599053490 398914033 /nfs/dbraw/zinc/91/40/33/398914033.db2.gz UJOMXBXPBOOBEP-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO CCC(F)(F)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599068491 398916344 /nfs/dbraw/zinc/91/63/44/398916344.db2.gz NIMVGPMWLIEZKS-MNOVXSKESA-N 1 1 302.325 2.910 20 5 DFBDMO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595295012 398917671 /nfs/dbraw/zinc/91/76/71/398917671.db2.gz FOUMFBYSTRWMEQ-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595295012 398917673 /nfs/dbraw/zinc/91/76/73/398917673.db2.gz FOUMFBYSTRWMEQ-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188078387 200190402 /nfs/dbraw/zinc/19/04/02/200190402.db2.gz CEDMCAVKJVJBDG-NSHDSACASA-N 1 1 323.418 2.531 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595295011 398917927 /nfs/dbraw/zinc/91/79/27/398917927.db2.gz FOUMFBYSTRWMEQ-GFCCVEGCSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595295011 398917931 /nfs/dbraw/zinc/91/79/31/398917931.db2.gz FOUMFBYSTRWMEQ-GFCCVEGCSA-N 1 1 320.324 2.805 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000595302377 398919810 /nfs/dbraw/zinc/91/98/10/398919810.db2.gz GRKZBLJNQCBFBH-UHFFFAOYSA-N 1 1 304.325 2.837 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312267 398921230 /nfs/dbraw/zinc/92/12/30/398921230.db2.gz SEKPEEXAWOXKGS-CABCVRRESA-N 1 1 307.369 2.793 20 5 DFBDMO COc1ccccc1C[C@H](C)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595327714 398922468 /nfs/dbraw/zinc/92/24/68/398922468.db2.gz SYAMBDDLQGZTTF-NSHDSACASA-N 1 1 319.361 2.963 20 5 DFBDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595327714 398922469 /nfs/dbraw/zinc/92/24/69/398922469.db2.gz SYAMBDDLQGZTTF-NSHDSACASA-N 1 1 319.361 2.963 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000595344431 398925252 /nfs/dbraw/zinc/92/52/52/398925252.db2.gz DZOMXEPQMYCWOB-BBRMVZONSA-N 1 1 308.353 2.861 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595381081 398930290 /nfs/dbraw/zinc/93/02/90/398930290.db2.gz ITUPSLHMGZAIDX-LSDHHAIUSA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1noc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000595443551 398939691 /nfs/dbraw/zinc/93/96/91/398939691.db2.gz CEBMMZUVHSFCSK-INIZCTEOSA-N 1 1 315.329 2.523 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000595443551 398939693 /nfs/dbraw/zinc/93/96/93/398939693.db2.gz CEBMMZUVHSFCSK-INIZCTEOSA-N 1 1 315.329 2.523 20 5 DFBDMO Cc1noc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000595443570 398939754 /nfs/dbraw/zinc/93/97/54/398939754.db2.gz CEBMMZUVHSFCSK-MRXNPFEDSA-N 1 1 315.329 2.523 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000595443570 398939757 /nfs/dbraw/zinc/93/97/57/398939757.db2.gz CEBMMZUVHSFCSK-MRXNPFEDSA-N 1 1 315.329 2.523 20 5 DFBDMO CSCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000281261134 216192648 /nfs/dbraw/zinc/19/26/48/216192648.db2.gz FFJSCOHVWYQNSE-NSHDSACASA-N 1 1 311.407 2.607 20 5 DFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507779 398953017 /nfs/dbraw/zinc/95/30/17/398953017.db2.gz QPSXRWLDURWWIE-QGZVFWFLSA-N 1 1 303.406 2.555 20 5 DFBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505819 398953307 /nfs/dbraw/zinc/95/33/07/398953307.db2.gz VRHNZTTXZZBBIA-MRXNPFEDSA-N 1 1 307.369 2.652 20 5 DFBDMO CC[C@@H]([NH2+]Cc1cncc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000599354137 398959637 /nfs/dbraw/zinc/95/96/37/398959637.db2.gz MQOHQWFWPYIFES-CQSZACIVSA-N 1 1 302.334 2.634 20 5 DFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078506550 398961364 /nfs/dbraw/zinc/96/13/64/398961364.db2.gz HPFZHWOQFWZZCE-OAHLLOKOSA-N 1 1 312.373 2.701 20 5 DFBDMO C[C@@H](O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000078516295 398963203 /nfs/dbraw/zinc/96/32/03/398963203.db2.gz YXNPDNDEHOORED-CQSZACIVSA-N 1 1 322.405 2.989 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](O)C23CCCC3)c(F)c1 ZINC000292637839 223178636 /nfs/dbraw/zinc/17/86/36/223178636.db2.gz HFODVWQKDFNWER-AWEZNQCLSA-N 1 1 312.316 2.752 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](O)C23CCCC3)c(F)c1 ZINC000292637839 223178638 /nfs/dbraw/zinc/17/86/38/223178638.db2.gz HFODVWQKDFNWER-AWEZNQCLSA-N 1 1 312.316 2.752 20 5 DFBDMO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000193044833 200981817 /nfs/dbraw/zinc/98/18/17/200981817.db2.gz GBOKWXIXTCRGBH-LBPRGKRZSA-N 1 1 317.345 2.810 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(CO)ccc1F ZINC000599403536 398974104 /nfs/dbraw/zinc/97/41/04/398974104.db2.gz ATFQPIXNWQYWTC-UHFFFAOYSA-N 1 1 318.348 2.901 20 5 DFBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000193622313 201090293 /nfs/dbraw/zinc/09/02/93/201090293.db2.gz GJPPNTNTMDMFSZ-GFCCVEGCSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000193622313 201090296 /nfs/dbraw/zinc/09/02/96/201090296.db2.gz GJPPNTNTMDMFSZ-GFCCVEGCSA-N 1 1 323.780 2.559 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(CO)ccc1F ZINC000599411654 398975491 /nfs/dbraw/zinc/97/54/91/398975491.db2.gz BKNHQUUXSWICFU-UHFFFAOYSA-N 1 1 318.348 2.901 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000078723170 398983219 /nfs/dbraw/zinc/98/32/19/398983219.db2.gz ADVJMYDPOJPHSX-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595597605 398991168 /nfs/dbraw/zinc/99/11/68/398991168.db2.gz STIXKORBWJLCHO-AWEZNQCLSA-N 1 1 318.348 2.769 20 5 DFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595597605 398991171 /nfs/dbraw/zinc/99/11/71/398991171.db2.gz STIXKORBWJLCHO-AWEZNQCLSA-N 1 1 318.348 2.769 20 5 DFBDMO Cc1ccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000600181285 398992563 /nfs/dbraw/zinc/99/25/63/398992563.db2.gz NFLMLTGVXYFRPR-KRWDZBQOSA-N 1 1 316.357 2.606 20 5 DFBDMO COC(=O)Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000600187739 398996500 /nfs/dbraw/zinc/99/65/00/398996500.db2.gz QADHBXIBTIUOHN-UHFFFAOYSA-N 1 1 320.370 2.662 20 5 DFBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCCCC1 ZINC000266843803 299345761 /nfs/dbraw/zinc/34/57/61/299345761.db2.gz HKBMUKNCEWOFFB-STQMWFEESA-N 1 1 305.378 2.646 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595634003 399012083 /nfs/dbraw/zinc/01/20/83/399012083.db2.gz SIOLUZWBBFZYMX-SCDSUCTJSA-N 1 1 310.781 2.841 20 5 DFBDMO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000292969717 223331264 /nfs/dbraw/zinc/33/12/64/223331264.db2.gz DNUUWFORZFCZKM-CYBMUJFWSA-N 1 1 314.389 2.839 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000275410579 212315896 /nfs/dbraw/zinc/31/58/96/212315896.db2.gz DLCRUGXMPYPXGE-CYBMUJFWSA-N 1 1 317.389 2.600 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000275410579 212315897 /nfs/dbraw/zinc/31/58/97/212315897.db2.gz DLCRUGXMPYPXGE-CYBMUJFWSA-N 1 1 317.389 2.600 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1NCC[NH+]1Cc3ccccc3C1)CCN2 ZINC000618151477 399021242 /nfs/dbraw/zinc/02/12/42/399021242.db2.gz RNSGYMQZTXKUDO-UHFFFAOYSA-N 1 1 324.384 2.991 20 5 DFBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595671377 399027847 /nfs/dbraw/zinc/02/78/47/399027847.db2.gz FEAJWQSVLNHMTI-PBHICJAKSA-N 1 1 322.405 2.847 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091673018 193089587 /nfs/dbraw/zinc/08/95/87/193089587.db2.gz PUCNCOZQGPEPCS-GHMZBOCLSA-N 1 1 311.769 2.523 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000091832515 193114376 /nfs/dbraw/zinc/11/43/76/193114376.db2.gz XOCWVFRUOLELBH-AWEZNQCLSA-N 1 1 316.361 2.974 20 5 DFBDMO C[C@H](c1ccncc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091988924 193137648 /nfs/dbraw/zinc/13/76/48/193137648.db2.gz BFHUTEXATIYFBL-WBMJQRKESA-N 1 1 301.346 2.716 20 5 DFBDMO CCOCCO[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092067333 193152316 /nfs/dbraw/zinc/15/23/16/193152316.db2.gz ICBMKZLSXGZAIE-YERXGYGTSA-N 1 1 320.389 2.735 20 5 DFBDMO C[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1CCO ZINC000595695443 399039786 /nfs/dbraw/zinc/03/97/86/399039786.db2.gz HSHIKFRXJJLPGN-BONVTDFDSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1CCO ZINC000595695443 399039791 /nfs/dbraw/zinc/03/97/91/399039791.db2.gz HSHIKFRXJJLPGN-BONVTDFDSA-N 1 1 314.332 2.856 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000595699832 399042455 /nfs/dbraw/zinc/04/24/55/399042455.db2.gz ONMUCQOOBPVRLF-DZGCQCFKSA-N 1 1 322.405 2.976 20 5 DFBDMO CCOc1cc(C[N@@H+](C)CC(O)(CC)CC)ccc1[N+](=O)[O-] ZINC000599673090 399055244 /nfs/dbraw/zinc/05/52/44/399055244.db2.gz JMQWPIHNLCLJEJ-UHFFFAOYSA-N 1 1 310.394 2.976 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600474585 399058748 /nfs/dbraw/zinc/05/87/48/399058748.db2.gz ZISHCUWWUZPSHR-CQSZACIVSA-N 1 1 317.389 2.650 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000595749085 399068349 /nfs/dbraw/zinc/06/83/49/399068349.db2.gz DFWUOBFEOKYBIY-QGZVFWFLSA-N 1 1 320.389 2.730 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595757110 399071631 /nfs/dbraw/zinc/07/16/31/399071631.db2.gz ZKXQRTSENLOSLJ-ZDUSSCGKSA-N 1 1 323.368 2.913 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595757110 399071636 /nfs/dbraw/zinc/07/16/36/399071636.db2.gz ZKXQRTSENLOSLJ-ZDUSSCGKSA-N 1 1 323.368 2.913 20 5 DFBDMO C[C@@H](O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292803686 284009162 /nfs/dbraw/zinc/00/91/62/284009162.db2.gz MMOURYMWQYYRBX-SECBINFHSA-N 1 1 306.284 2.816 20 5 DFBDMO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271714840 296115797 /nfs/dbraw/zinc/11/57/97/296115797.db2.gz JTCQSFRACGKQNF-MGPQQGTHSA-N 1 1 319.405 2.750 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000079770768 399083661 /nfs/dbraw/zinc/08/36/61/399083661.db2.gz FDKTYWCFODYHTK-HNNXBMFYSA-N 1 1 308.378 2.585 20 5 DFBDMO CC[N@@H+](CCC(=O)OC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097757 193202618 /nfs/dbraw/zinc/20/26/18/193202618.db2.gz KKKQCBUYCYWBIF-UHFFFAOYSA-N 1 1 300.742 2.633 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419374685 296137848 /nfs/dbraw/zinc/13/78/48/296137848.db2.gz QITNBGLMJZPNNI-YNEHKIRRSA-N 1 1 305.378 2.818 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419379355 296138101 /nfs/dbraw/zinc/13/81/01/296138101.db2.gz WPUIJMWBQVCYET-FDYHWXHSSA-N 1 1 305.378 2.898 20 5 DFBDMO CC[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339100319 284137080 /nfs/dbraw/zinc/13/70/80/284137080.db2.gz LAPKDHZFWZDDHR-ZDUSSCGKSA-N 1 1 318.295 2.960 20 5 DFBDMO CC[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339100319 284137082 /nfs/dbraw/zinc/13/70/82/284137082.db2.gz LAPKDHZFWZDDHR-ZDUSSCGKSA-N 1 1 318.295 2.960 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340201954 284160353 /nfs/dbraw/zinc/16/03/53/284160353.db2.gz JGENFKHFPHYYCB-QWHCGFSZSA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340201954 284160355 /nfs/dbraw/zinc/16/03/55/284160355.db2.gz JGENFKHFPHYYCB-QWHCGFSZSA-N 1 1 318.295 2.873 20 5 DFBDMO COCCOC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093754321 193300507 /nfs/dbraw/zinc/30/05/07/193300507.db2.gz BWDQDOZLTKKTLJ-CSPWOOARSA-N 1 1 320.389 2.593 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000093808903 193310117 /nfs/dbraw/zinc/31/01/17/193310117.db2.gz ALFVHSVTUYQKIK-ZDUSSCGKSA-N 1 1 319.405 2.806 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900204 399128292 /nfs/dbraw/zinc/12/82/92/399128292.db2.gz ARZYQRRCTSMKCZ-CQSZACIVSA-N 1 1 321.396 2.946 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cs1 ZINC000340386431 284179530 /nfs/dbraw/zinc/17/95/30/284179530.db2.gz DGEFXWDEFVPHQL-UHFFFAOYSA-N 1 1 318.402 2.941 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000340925307 284219509 /nfs/dbraw/zinc/21/95/09/284219509.db2.gz ZFWAWGKFMXODCC-UHFFFAOYSA-N 1 1 315.377 2.709 20 5 DFBDMO C[C@@]1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCS1 ZINC000600114778 399140168 /nfs/dbraw/zinc/14/01/68/399140168.db2.gz AXTIEQODGWYLTK-WFASDCNBSA-N 1 1 322.434 2.762 20 5 DFBDMO Cc1cc(NC[C@H]2CC[NH2+]CC2(F)F)c(F)cc1[N+](=O)[O-] ZINC000420271499 296167888 /nfs/dbraw/zinc/16/78/88/296167888.db2.gz CSMDXXLHTHWZLJ-SECBINFHSA-N 1 1 303.284 2.699 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000264949854 204296895 /nfs/dbraw/zinc/29/68/95/204296895.db2.gz JVDDCKJRGPKWLL-UHFFFAOYSA-N 1 1 323.780 2.559 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596077318 399164374 /nfs/dbraw/zinc/16/43/74/399164374.db2.gz SXKLZEVJARGFJE-LBPRGKRZSA-N 1 1 308.382 2.619 20 5 DFBDMO C[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3F)cs2)CC1 ZINC000600884080 399165591 /nfs/dbraw/zinc/16/55/91/399165591.db2.gz BKXCGRBKESJVOM-UHFFFAOYSA-N 1 1 322.365 2.609 20 5 DFBDMO COC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182739280 284331774 /nfs/dbraw/zinc/33/17/74/284331774.db2.gz VKDIVQYTNQNOKR-STQMWFEESA-N 1 1 306.362 2.849 20 5 DFBDMO C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342474171 284340239 /nfs/dbraw/zinc/34/02/39/284340239.db2.gz PLVYZMLYNSHCGH-XQQFMLRXSA-N 1 1 305.378 2.645 20 5 DFBDMO CCN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@H+]1CC ZINC000614236448 399185686 /nfs/dbraw/zinc/18/56/86/399185686.db2.gz RIMZLMICKBWEAM-KRWDZBQOSA-N 1 1 305.422 2.944 20 5 DFBDMO CCN1CCC[C@H]1C[N@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000614236448 399185690 /nfs/dbraw/zinc/18/56/90/399185690.db2.gz RIMZLMICKBWEAM-KRWDZBQOSA-N 1 1 305.422 2.944 20 5 DFBDMO CCN1CCC[C@H]1C[N@@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000614236448 399185696 /nfs/dbraw/zinc/18/56/96/399185696.db2.gz RIMZLMICKBWEAM-KRWDZBQOSA-N 1 1 305.422 2.944 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000063464872 399190529 /nfs/dbraw/zinc/19/05/29/399190529.db2.gz PLHHEFYAMKOUMC-CQSZACIVSA-N 1 1 317.345 2.529 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000271683109 209122817 /nfs/dbraw/zinc/12/28/17/209122817.db2.gz PIWRHRRBLBHHCZ-INIZCTEOSA-N 1 1 316.357 2.817 20 5 DFBDMO Cc1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000198374822 399194305 /nfs/dbraw/zinc/19/43/05/399194305.db2.gz CYTFZLWUHMKRBY-CYBMUJFWSA-N 1 1 319.405 2.898 20 5 DFBDMO CC(=O)c1cc(NC[C@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000288494008 220178287 /nfs/dbraw/zinc/17/82/87/220178287.db2.gz SYPDJLUGLPPAGM-GFCCVEGCSA-N 1 1 314.345 2.668 20 5 DFBDMO CC[N@H+]1CCCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601116811 399231545 /nfs/dbraw/zinc/23/15/45/399231545.db2.gz XOQHKXICXOQUAE-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000601121405 399233608 /nfs/dbraw/zinc/23/36/08/399233608.db2.gz NVMPEJOIBMPCNU-UHFFFAOYSA-N 1 1 308.357 2.584 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3CCC[C@@H](O)C3)c2c1 ZINC000601119072 399232323 /nfs/dbraw/zinc/23/23/23/399232323.db2.gz LTUUARJYIYCQQS-DGCLKSJQSA-N 1 1 301.346 2.528 20 5 DFBDMO CC1(C)[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@H]2CCO[C@H]21 ZINC000601119539 399232560 /nfs/dbraw/zinc/23/25/60/399232560.db2.gz SXLVADAXOGELBO-HFBAOOFYSA-N 1 1 313.357 2.790 20 5 DFBDMO CN(C[C@@H]1CCC[C@@H]1O)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601134839 399237412 /nfs/dbraw/zinc/23/74/12/399237412.db2.gz IMUJXELWACQXBN-ZBEGNZNMSA-N 1 1 301.346 2.740 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601135407 399238353 /nfs/dbraw/zinc/23/83/53/399238353.db2.gz OIKVLNVTFHESNE-ZDUSSCGKSA-N 1 1 302.309 2.728 20 5 DFBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601135407 399238355 /nfs/dbraw/zinc/23/83/55/399238355.db2.gz OIKVLNVTFHESNE-ZDUSSCGKSA-N 1 1 302.309 2.728 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000601139573 399239713 /nfs/dbraw/zinc/23/97/13/399239713.db2.gz GDOWCLUAUADNRT-PXAZEXFGSA-N 1 1 312.373 2.673 20 5 DFBDMO CC1(CO)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601143433 399240032 /nfs/dbraw/zinc/24/00/32/399240032.db2.gz DILQSSJXVUTWLI-UHFFFAOYSA-N 1 1 301.346 2.742 20 5 DFBDMO C[C@](CO)([NH2+]Cc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149781 399241593 /nfs/dbraw/zinc/24/15/93/399241593.db2.gz PJBNWPOCZHIFQI-MRXNPFEDSA-N 1 1 322.311 2.870 20 5 DFBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(F)(F)F ZINC000601151067 399241967 /nfs/dbraw/zinc/24/19/67/399241967.db2.gz NLVBEMAIPIOMFF-LDWIPMOCSA-N 1 1 312.675 2.650 20 5 DFBDMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000023991298 182371328 /nfs/dbraw/zinc/37/13/28/182371328.db2.gz OBPYPKONPLBPFZ-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000023991298 182371331 /nfs/dbraw/zinc/37/13/31/182371331.db2.gz OBPYPKONPLBPFZ-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000023991427 182371493 /nfs/dbraw/zinc/37/14/93/182371493.db2.gz GJRWYEXPOBSBGR-NSHDSACASA-N 1 1 302.334 2.877 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](n4cccn4)C3)c2c1 ZINC000601166572 399246023 /nfs/dbraw/zinc/24/60/23/399246023.db2.gz NVHCCQRDYJUJAI-ZDUSSCGKSA-N 1 1 309.329 2.791 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCC[C@@H]3CCOC3)c2c1 ZINC000601171886 399246983 /nfs/dbraw/zinc/24/69/83/399246983.db2.gz QIRFSRGHDKWZET-GFCCVEGCSA-N 1 1 301.346 2.794 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](n4cccn4)C3)c2c1 ZINC000601166571 399246400 /nfs/dbraw/zinc/24/64/00/399246400.db2.gz NVHCCQRDYJUJAI-CYBMUJFWSA-N 1 1 309.329 2.791 20 5 DFBDMO C[N@H+]1CC[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184330 399250121 /nfs/dbraw/zinc/25/01/21/399250121.db2.gz JZIOLMWFTFKYSK-OLZOCXBDSA-N 1 1 312.373 2.531 20 5 DFBDMO Cn1ncc(C2CC2)c1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601195615 399252558 /nfs/dbraw/zinc/25/25/58/399252558.db2.gz QWWYBAWWAHAQJK-UHFFFAOYSA-N 1 1 323.356 2.788 20 5 DFBDMO COc1cc(N2CC([NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000601193794 399252755 /nfs/dbraw/zinc/25/27/55/399252755.db2.gz PYYFPGGHDWOUFJ-UHFFFAOYSA-N 1 1 311.769 2.541 20 5 DFBDMO C[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000601198767 399253322 /nfs/dbraw/zinc/25/33/22/399253322.db2.gz GOSXOQCGEIIMLN-NWDGAFQWSA-N 1 1 301.346 2.598 20 5 DFBDMO COc1cc(NCCNc2cccc(C)[nH+]2)c([N+](=O)[O-])cc1F ZINC000343862936 284528529 /nfs/dbraw/zinc/52/85/29/284528529.db2.gz YMBXQFBNFNJEAW-UHFFFAOYSA-N 1 1 320.324 2.970 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000421472486 296258415 /nfs/dbraw/zinc/25/84/15/296258415.db2.gz FQNGRDMVOJGZJX-UKRRQHHQSA-N 1 1 319.405 2.624 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609258259 399310440 /nfs/dbraw/zinc/31/04/40/399310440.db2.gz PWYHQVMZLGYWQB-HNNXBMFYSA-N 1 1 316.361 2.637 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609258259 399310441 /nfs/dbraw/zinc/31/04/41/399310441.db2.gz PWYHQVMZLGYWQB-HNNXBMFYSA-N 1 1 316.361 2.637 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000609259623 399310878 /nfs/dbraw/zinc/31/08/78/399310878.db2.gz ATUPPEMLMCAJLH-LBPRGKRZSA-N 1 1 304.325 2.595 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000609259623 399310881 /nfs/dbraw/zinc/31/08/81/399310881.db2.gz ATUPPEMLMCAJLH-LBPRGKRZSA-N 1 1 304.325 2.595 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000609259622 399311078 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2.625 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1CCCC1 ZINC000064021426 184291601 /nfs/dbraw/zinc/29/16/01/184291601.db2.gz FBCMUNVTHRIXKP-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602525825 399468156 /nfs/dbraw/zinc/46/81/56/399468156.db2.gz SFFADZOQUIRKTR-LBPRGKRZSA-N 1 1 318.377 2.558 20 5 DFBDMO C[NH+]1CCC(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602544055 399472003 /nfs/dbraw/zinc/47/20/03/399472003.db2.gz ICUYASSAVUYMOZ-UHFFFAOYSA-N 1 1 318.377 2.558 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602569003 399478991 /nfs/dbraw/zinc/47/89/91/399478991.db2.gz QKFWIOPYHZBIIR-BXUZGUMPSA-N 1 1 318.377 2.554 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@@H]2C[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000611475956 399479943 /nfs/dbraw/zinc/47/99/43/399479943.db2.gz ZWQTXBNGKXWIKF-VNHYZAJKSA-N 1 1 321.421 2.984 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@@H]2C[N@@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000611475956 399479946 /nfs/dbraw/zinc/47/99/46/399479946.db2.gz ZWQTXBNGKXWIKF-VNHYZAJKSA-N 1 1 321.421 2.984 20 5 DFBDMO COc1cccc([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000611520576 399487247 /nfs/dbraw/zinc/48/72/47/399487247.db2.gz CVPLXNYKRCXFQK-MRXNPFEDSA-N 1 1 320.320 2.566 20 5 DFBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000611526211 399487898 /nfs/dbraw/zinc/48/78/98/399487898.db2.gz DENCFPVWBWXVNE-UHFFFAOYSA-N 1 1 313.357 2.623 20 5 DFBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC(c4[nH]cc[nH+]4)CC3)c21 ZINC000611565028 399493043 /nfs/dbraw/zinc/49/30/43/399493043.db2.gz ULOKLMYYUFVOOT-UHFFFAOYSA-N 1 1 324.344 2.645 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000611580516 399496137 /nfs/dbraw/zinc/49/61/37/399496137.db2.gz XDKDZFOMUMIZRO-ZDUSSCGKSA-N 1 1 300.305 2.841 20 5 DFBDMO C[C@@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000611707728 399508805 /nfs/dbraw/zinc/50/88/05/399508805.db2.gz KVRRLBYVWGSKKL-GHMZBOCLSA-N 1 1 313.361 2.575 20 5 DFBDMO COC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000347378162 285020130 /nfs/dbraw/zinc/02/01/30/285020130.db2.gz NOQHLEWQEMTRFR-UGQIPKQWSA-N 1 1 320.389 2.734 20 5 DFBDMO COC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000347378162 285020132 /nfs/dbraw/zinc/02/01/32/285020132.db2.gz NOQHLEWQEMTRFR-UGQIPKQWSA-N 1 1 320.389 2.734 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347413336 285041769 /nfs/dbraw/zinc/04/17/69/285041769.db2.gz UBMQHFVSTMQYGQ-DGCLKSJQSA-N 1 1 315.377 2.679 20 5 DFBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000119882870 195054388 /nfs/dbraw/zinc/05/43/88/195054388.db2.gz QXOWPXXYAQLIMF-GFCCVEGCSA-N 1 1 323.418 2.531 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000119966564 195071839 /nfs/dbraw/zinc/07/18/39/195071839.db2.gz GYPZZKIRYJKJLR-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO C[N@H+](CC[C@H]1CCOC1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120067271 195090905 /nfs/dbraw/zinc/09/09/05/195090905.db2.gz HSLXOQMSOUMKAY-JTQLQIEISA-N 1 1 312.753 2.633 20 5 DFBDMO C[N@@H+](CC[C@H]1CCOC1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120067271 195090907 /nfs/dbraw/zinc/09/09/07/195090907.db2.gz HSLXOQMSOUMKAY-JTQLQIEISA-N 1 1 312.753 2.633 20 5 DFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](CO)CC(C)(C)C ZINC000602684688 399519844 /nfs/dbraw/zinc/51/98/44/399519844.db2.gz QUGVCOUWJPRZMW-LBPRGKRZSA-N 1 1 321.377 2.965 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC000602705668 399530350 /nfs/dbraw/zinc/53/03/50/399530350.db2.gz NCBCEAFUFXUPCV-NSHDSACASA-N 1 1 318.352 2.629 20 5 DFBDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000347571634 285083607 /nfs/dbraw/zinc/08/36/07/285083607.db2.gz YENNVMGZKIYHGH-CQSZACIVSA-N 1 1 318.377 2.883 20 5 DFBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000347668145 285122657 /nfs/dbraw/zinc/12/26/57/285122657.db2.gz VBCMZVPKNGCXTB-OAHLLOKOSA-N 1 1 319.405 2.641 20 5 DFBDMO C[N@@H+]1CCC[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761242 197298994 /nfs/dbraw/zinc/29/89/94/197298994.db2.gz XBHDJOHZZVFPGF-WBVHZDCISA-N 1 1 303.406 2.553 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158761242 197298995 /nfs/dbraw/zinc/29/89/95/197298995.db2.gz XBHDJOHZZVFPGF-WBVHZDCISA-N 1 1 303.406 2.553 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](O)C3)o2)cc1 ZINC000158760225 197298690 /nfs/dbraw/zinc/29/86/90/197298690.db2.gz GXQCZJUFPHZTBJ-CQSZACIVSA-N 1 1 302.330 2.812 20 5 DFBDMO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000158641440 197290470 /nfs/dbraw/zinc/29/04/70/197290470.db2.gz ONRBCXOJFWUGSJ-CABCVRRESA-N 1 1 319.405 2.520 20 5 DFBDMO CC[N@H+](CCc1cccs1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602765301 399561813 /nfs/dbraw/zinc/56/18/13/399561813.db2.gz JRKIVIACARRUTJ-UHFFFAOYSA-N 1 1 308.407 2.726 20 5 DFBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000602768563 399563512 /nfs/dbraw/zinc/56/35/12/399563512.db2.gz JXKJEFAASSXGTQ-UHFFFAOYSA-N 1 1 302.378 2.930 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1N1CCC(c3[nH]cc[nH+]3)CC1)CCN2 ZINC000275333340 285146307 /nfs/dbraw/zinc/14/63/07/285146307.db2.gz GJCVIRIGEIHHPH-UHFFFAOYSA-N 1 1 313.361 2.670 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246859731 285159411 /nfs/dbraw/zinc/15/94/11/285159411.db2.gz SIZNCXGRBSWQQG-CFSAUIFESA-N 1 1 320.414 2.814 20 5 DFBDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602802620 399581182 /nfs/dbraw/zinc/58/11/82/399581182.db2.gz RQMYMRNMMVXSKX-LBPRGKRZSA-N 1 1 318.377 2.966 20 5 DFBDMO COc1ccc(C[N@@H+](C)CCc2nccs2)cc1[N+](=O)[O-] ZINC000157409634 197185042 /nfs/dbraw/zinc/18/50/42/197185042.db2.gz BIFGGKBIOVPYEC-UHFFFAOYSA-N 1 1 307.375 2.734 20 5 DFBDMO Cc1[nH]ncc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271549636 209003100 /nfs/dbraw/zinc/00/31/00/209003100.db2.gz VPLMLFQKUDHUMK-HNNXBMFYSA-N 1 1 300.362 2.737 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000156057943 197083462 /nfs/dbraw/zinc/08/34/62/197083462.db2.gz LRNQNJZNXXUMAJ-GFCCVEGCSA-N 1 1 308.382 2.755 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000090549336 285220755 /nfs/dbraw/zinc/22/07/55/285220755.db2.gz SHNDBVZGJABJTI-QGZVFWFLSA-N 1 1 317.389 2.579 20 5 DFBDMO Cn1cc(C[NH2+]C2(c3cccc(F)c3)CCC2)c([N+](=O)[O-])n1 ZINC000602852031 399603292 /nfs/dbraw/zinc/60/32/92/399603292.db2.gz NGDILKHKXZWQMW-UHFFFAOYSA-N 1 1 304.325 2.636 20 5 DFBDMO C[C@H]1CSCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000617102354 399605579 /nfs/dbraw/zinc/60/55/79/399605579.db2.gz PURLKDCESHGPQS-LLVKDONJSA-N 1 1 324.402 2.551 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000602868281 399609945 /nfs/dbraw/zinc/60/99/45/399609945.db2.gz VOYGZMVFQHLNHK-CYBMUJFWSA-N 1 1 314.389 2.762 20 5 DFBDMO C[N@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000602873029 399611485 /nfs/dbraw/zinc/61/14/85/399611485.db2.gz GQYZCVRWBBZEPM-INIZCTEOSA-N 1 1 321.421 2.636 20 5 DFBDMO CN1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000602873029 399611490 /nfs/dbraw/zinc/61/14/90/399611490.db2.gz GQYZCVRWBBZEPM-INIZCTEOSA-N 1 1 321.421 2.636 20 5 DFBDMO CN1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000602873029 399611495 /nfs/dbraw/zinc/61/14/95/399611495.db2.gz GQYZCVRWBBZEPM-INIZCTEOSA-N 1 1 321.421 2.636 20 5 DFBDMO C[NH+]1CCC2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000602877347 399612319 /nfs/dbraw/zinc/61/23/19/399612319.db2.gz GXXHIUTVVTUUPH-UHFFFAOYSA-N 1 1 307.369 2.652 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602883889 399615186 /nfs/dbraw/zinc/61/51/86/399615186.db2.gz YRJDXCUQIIWTRJ-CYBMUJFWSA-N 1 1 302.334 2.534 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000120855420 195251353 /nfs/dbraw/zinc/25/13/53/195251353.db2.gz ISVAQSLGQASBFN-UHFFFAOYSA-N 1 1 313.357 2.623 20 5 DFBDMO C[C@@H](CO)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289547406 221056289 /nfs/dbraw/zinc/05/62/89/221056289.db2.gz XKAUOZVTPJUQAB-JTQLQIEISA-N 1 1 307.375 2.531 20 5 DFBDMO C[C@@H](CO)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289547406 221056292 /nfs/dbraw/zinc/05/62/92/221056292.db2.gz XKAUOZVTPJUQAB-JTQLQIEISA-N 1 1 307.375 2.531 20 5 DFBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000289664685 221139493 /nfs/dbraw/zinc/13/94/93/221139493.db2.gz MJWCHCMDMYHMSA-JTQLQIEISA-N 1 1 324.768 2.560 20 5 DFBDMO CO[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289768570 221211919 /nfs/dbraw/zinc/21/19/19/221211919.db2.gz RDWNUPPPVYQNRC-SECBINFHSA-N 1 1 304.293 2.663 20 5 DFBDMO CO[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289768570 221211921 /nfs/dbraw/zinc/21/19/21/221211921.db2.gz RDWNUPPPVYQNRC-SECBINFHSA-N 1 1 304.293 2.663 20 5 DFBDMO COc1ccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1[N+](=O)[O-] ZINC000289795245 221231799 /nfs/dbraw/zinc/23/17/99/221231799.db2.gz HXGWAEPDVYICED-CQSZACIVSA-N 1 1 316.361 2.555 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1[N+](=O)[O-] ZINC000289795245 221231800 /nfs/dbraw/zinc/23/18/00/221231800.db2.gz HXGWAEPDVYICED-CQSZACIVSA-N 1 1 316.361 2.555 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290000857 221372671 /nfs/dbraw/zinc/37/26/71/221372671.db2.gz TUIAISPIOCQXRI-OAHLLOKOSA-N 1 1 316.361 2.555 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290000857 221372674 /nfs/dbraw/zinc/37/26/74/221372674.db2.gz TUIAISPIOCQXRI-OAHLLOKOSA-N 1 1 316.361 2.555 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997511 399654348 /nfs/dbraw/zinc/65/43/48/399654348.db2.gz LUBVPJMTXYDJPX-YCPHGPKFSA-N 1 1 308.353 2.859 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000602997264 399654627 /nfs/dbraw/zinc/65/46/27/399654627.db2.gz GROANOISUPWCGJ-FMKPAKJESA-N 1 1 320.389 2.729 20 5 DFBDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000120955062 195270710 /nfs/dbraw/zinc/27/07/10/195270710.db2.gz LOBJIMSRUJFDOL-LBPRGKRZSA-N 1 1 305.378 2.706 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC000348314371 285487735 /nfs/dbraw/zinc/48/77/35/285487735.db2.gz BBCHCBIYOYWDEO-GZBFAFLISA-N 1 1 318.352 2.898 20 5 DFBDMO Cc1cnc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000348355731 285506378 /nfs/dbraw/zinc/50/63/78/285506378.db2.gz LVUKXVPUTAIKOK-LLVKDONJSA-N 1 1 318.333 2.571 20 5 DFBDMO COc1cc(N2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000201140541 542868209 /nfs/dbraw/zinc/86/82/09/542868209.db2.gz YZCVKASOHBQELE-UHFFFAOYSA-N 1 1 305.378 2.668 20 5 DFBDMO CCC(=O)c1ccc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292732686 543017172 /nfs/dbraw/zinc/01/71/72/543017172.db2.gz IFWNXHMRESLCSH-TXEJJXNPSA-N 1 1 305.378 2.716 20 5 DFBDMO CCC(=O)c1ccc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292732686 543017177 /nfs/dbraw/zinc/01/71/77/543017177.db2.gz IFWNXHMRESLCSH-TXEJJXNPSA-N 1 1 305.378 2.716 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302825735 543047584 /nfs/dbraw/zinc/04/75/84/543047584.db2.gz HCAAEQPMZRKYKQ-GFCCVEGCSA-N 1 1 304.394 2.849 20 5 DFBDMO Cc1ccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000364245037 292069806 /nfs/dbraw/zinc/06/98/06/292069806.db2.gz PDXLWIJMCBXIAN-DZGCQCFKSA-N 1 1 317.389 2.602 20 5 DFBDMO CCCNC(=O)C[N@H+](CCC)Cc1cccc([N+](=O)[O-])c1C ZINC000052247252 425884223 /nfs/dbraw/zinc/88/42/23/425884223.db2.gz YMGVJQSTQWJOAW-UHFFFAOYSA-N 1 1 307.394 2.641 20 5 DFBDMO CCCNC(=O)C[N@@H+](CCC)Cc1cccc([N+](=O)[O-])c1C ZINC000052247252 425884224 /nfs/dbraw/zinc/88/42/24/425884224.db2.gz YMGVJQSTQWJOAW-UHFFFAOYSA-N 1 1 307.394 2.641 20 5 DFBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000604556777 399855735 /nfs/dbraw/zinc/85/57/35/399855735.db2.gz JEPSDXVQRRSGQY-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000123805206 145204726 /nfs/dbraw/zinc/20/47/26/145204726.db2.gz KRJWDSHLINUQPD-OAHLLOKOSA-N 1 1 314.389 2.783 20 5 DFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245669545 146091482 /nfs/dbraw/zinc/09/14/82/146091482.db2.gz CGEXYKPDMSBPTQ-WFASDCNBSA-N 1 1 318.377 2.543 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246670901 146148250 /nfs/dbraw/zinc/14/82/50/146148250.db2.gz LGUAOJUCLNLGFX-GXTWGEPZSA-N 1 1 308.378 2.729 20 5 DFBDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000250430896 146211692 /nfs/dbraw/zinc/21/16/92/146211692.db2.gz ITSIMHYOYYPWHN-UKRRQHHQSA-N 1 1 319.405 2.894 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000354351349 147005328 /nfs/dbraw/zinc/00/53/28/147005328.db2.gz CUOWQDXQWDKPRY-WDEREUQCSA-N 1 1 312.801 2.952 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000354383574 147015990 /nfs/dbraw/zinc/01/59/90/147015990.db2.gz AOFSBUGZYORIKW-DZGCQCFKSA-N 1 1 319.405 2.848 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000354411987 147026783 /nfs/dbraw/zinc/02/67/83/147026783.db2.gz WNYIAEOERSBUIF-BXUZGUMPSA-N 1 1 323.368 2.679 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000354435495 147034467 /nfs/dbraw/zinc/03/44/67/147034467.db2.gz PIQCYJGHNMNZRM-ZYHUDNBSSA-N 1 1 311.407 2.601 20 5 DFBDMO CCOC(=O)c1coc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000354538999 147072994 /nfs/dbraw/zinc/07/29/94/147072994.db2.gz HPUFBMOSXHRYBU-UHFFFAOYSA-N 1 1 304.302 2.654 20 5 DFBDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1c([N+](=O)[O-])ncn1C ZINC000355329644 147267916 /nfs/dbraw/zinc/26/79/16/147267916.db2.gz AEWJDZSBSFBJKU-UHFFFAOYSA-N 1 1 320.368 2.922 20 5 DFBDMO COC(=O)[C@@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000355331352 147268251 /nfs/dbraw/zinc/26/82/51/147268251.db2.gz YXAQMHIJWZNZPF-JTQLQIEISA-N 1 1 310.325 2.507 20 5 DFBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000355331352 147268253 /nfs/dbraw/zinc/26/82/53/147268253.db2.gz YXAQMHIJWZNZPF-JTQLQIEISA-N 1 1 310.325 2.507 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355373318 147288918 /nfs/dbraw/zinc/28/89/18/147288918.db2.gz WQRDGRWZLHTBQJ-QLBOMPFWSA-N 1 1 303.406 2.880 20 5 DFBDMO C[C@H](NC(=O)[C@H]1CCCc2[nH+]ccn21)c1ccccc1[N+](=O)[O-] ZINC000355458062 147324223 /nfs/dbraw/zinc/32/42/23/147324223.db2.gz QITWCCJGMDZFLI-SMDDNHRTSA-N 1 1 314.345 2.546 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)[C@@H]1CCCSC1 ZINC000355498514 147338679 /nfs/dbraw/zinc/33/86/79/147338679.db2.gz NSXHXYYMEXANQT-OMVNSRBRSA-N 1 1 322.430 2.798 20 5 DFBDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000355651083 147398433 /nfs/dbraw/zinc/39/84/33/147398433.db2.gz OBTMLSTVLSSEOC-UHFFFAOYSA-N 1 1 304.346 2.799 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000355651083 147398438 /nfs/dbraw/zinc/39/84/38/147398438.db2.gz OBTMLSTVLSSEOC-UHFFFAOYSA-N 1 1 304.346 2.799 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(C[NH+](C)C)CC1 ZINC000350183284 286016893 /nfs/dbraw/zinc/01/68/93/286016893.db2.gz FYPDEFDDTQUVSI-UHFFFAOYSA-N 1 1 321.421 2.767 20 5 DFBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000619783087 543481230 /nfs/dbraw/zinc/48/12/30/543481230.db2.gz OHTZCOUCSSFVFX-VIFPVBQESA-N 1 1 305.359 2.606 20 5 DFBDMO CC1=CC[N@@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358142906 148258135 /nfs/dbraw/zinc/25/81/35/148258135.db2.gz RVFQPOXMJPWBQG-UHFFFAOYSA-N 1 1 322.340 2.507 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCc4[nH+]ccn43)n2)cc1 ZINC000350394500 286034125 /nfs/dbraw/zinc/03/41/25/286034125.db2.gz GCWUYKSYMRNIPB-GFCCVEGCSA-N 1 1 311.301 2.767 20 5 DFBDMO CC(C)C[N@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000350702204 286075494 /nfs/dbraw/zinc/07/54/94/286075494.db2.gz PWVBYUPJUBOKRR-UHFFFAOYSA-N 1 1 316.405 2.992 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361050178 149017480 /nfs/dbraw/zinc/01/74/80/149017480.db2.gz ICULIXGLFYYBDA-DXTPNHAXSA-N 1 1 312.316 2.558 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361050178 149017481 /nfs/dbraw/zinc/01/74/81/149017481.db2.gz ICULIXGLFYYBDA-DXTPNHAXSA-N 1 1 312.316 2.558 20 5 DFBDMO Cc1ccc(C[N@H+](CCO)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000361510990 149135748 /nfs/dbraw/zinc/13/57/48/149135748.db2.gz NOAFWUATBBJQJX-UHFFFAOYSA-N 1 1 304.346 2.799 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000361510990 149135749 /nfs/dbraw/zinc/13/57/49/149135749.db2.gz NOAFWUATBBJQJX-UHFFFAOYSA-N 1 1 304.346 2.799 20 5 DFBDMO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000362528841 149298130 /nfs/dbraw/zinc/29/81/30/149298130.db2.gz OODNJEUTQDZMCE-LBPRGKRZSA-N 1 1 307.394 2.638 20 5 DFBDMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000362528841 149298134 /nfs/dbraw/zinc/29/81/34/149298134.db2.gz OODNJEUTQDZMCE-LBPRGKRZSA-N 1 1 307.394 2.638 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CNc1[nH]c2ccc(F)cc2[nH+]1 ZINC000362626954 149327621 /nfs/dbraw/zinc/32/76/21/149327621.db2.gz KWMPEKDPLNGOQC-UHFFFAOYSA-N 1 1 300.293 2.953 20 5 DFBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000362756815 149360171 /nfs/dbraw/zinc/36/01/71/149360171.db2.gz PLYYUOWTHKFKSV-MNOVXSKESA-N 1 1 323.418 2.529 20 5 DFBDMO CSc1cccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000362893716 149391167 /nfs/dbraw/zinc/39/11/67/149391167.db2.gz OBDDSUHIZNDCLG-PWSUYJOCSA-N 1 1 323.418 2.529 20 5 DFBDMO CSc1cccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000362893714 149391383 /nfs/dbraw/zinc/39/13/83/149391383.db2.gz OBDDSUHIZNDCLG-CMPLNLGQSA-N 1 1 323.418 2.529 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@]23CCOC3)cc1 ZINC000370737035 149975143 /nfs/dbraw/zinc/97/51/43/149975143.db2.gz HNACWAMNJZYYGE-MRXNPFEDSA-N 1 1 306.362 2.619 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C2CC2)C1 ZINC000371307305 150019118 /nfs/dbraw/zinc/01/91/18/150019118.db2.gz CTAQALCHIPSSAC-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCn2cc[nH+]c21 ZINC000372192229 150147524 /nfs/dbraw/zinc/14/75/24/150147524.db2.gz LYGXESFAHSOTBB-GFCCVEGCSA-N 1 1 316.361 2.927 20 5 DFBDMO CN(C[C@H]1CCn2cc[nH+]c2C1)c1ncc([N+](=O)[O-])cc1Cl ZINC000373048239 150221840 /nfs/dbraw/zinc/22/18/40/150221840.db2.gz USXLGSXBKFHACI-JTQLQIEISA-N 1 1 321.768 2.539 20 5 DFBDMO O=C(C[N@H+]1CCCC12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000373096483 150230412 /nfs/dbraw/zinc/23/04/12/150230412.db2.gz DFSNTHFESXLEKQ-UHFFFAOYSA-N 1 1 315.373 2.502 20 5 DFBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCC[C@@H]1O ZINC000351818298 286225524 /nfs/dbraw/zinc/22/55/24/286225524.db2.gz GIRDYDZMEINQNC-KBPBESRZSA-N 1 1 300.305 2.608 20 5 DFBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCC[C@@H]1O ZINC000351818298 286225526 /nfs/dbraw/zinc/22/55/26/286225526.db2.gz GIRDYDZMEINQNC-KBPBESRZSA-N 1 1 300.305 2.608 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(F)c1 ZINC000351881549 286236279 /nfs/dbraw/zinc/23/62/79/286236279.db2.gz NCYNECCJZIWCMB-MEBBXXQBSA-N 1 1 312.316 2.874 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c(F)c1 ZINC000351881549 286236280 /nfs/dbraw/zinc/23/62/80/286236280.db2.gz NCYNECCJZIWCMB-MEBBXXQBSA-N 1 1 312.316 2.874 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000373767846 286249518 /nfs/dbraw/zinc/24/95/18/286249518.db2.gz CKBHSJSXEMRPIJ-LSDHHAIUSA-N 1 1 306.362 2.747 20 5 DFBDMO COc1cc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351937296 286250235 /nfs/dbraw/zinc/25/02/35/286250235.db2.gz POIJOIDTNSVCDN-ZFWWWQNUSA-N 1 1 319.405 2.662 20 5 DFBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000352050279 286279933 /nfs/dbraw/zinc/27/99/33/286279933.db2.gz YYTLPMYRANUUSS-OAHLLOKOSA-N 1 1 319.405 2.518 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(F)cc3)nc2c1 ZINC000352131469 286300136 /nfs/dbraw/zinc/30/01/36/286300136.db2.gz RMPGKNRPNXULFN-UHFFFAOYSA-N 1 1 300.293 2.900 20 5 DFBDMO CC(C)(C)CC[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000352370706 286355929 /nfs/dbraw/zinc/35/59/29/286355929.db2.gz CMKYJKNIVRCAMN-UHFFFAOYSA-N 1 1 321.421 2.854 20 5 DFBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(O)CC1 ZINC000352407348 286365565 /nfs/dbraw/zinc/36/55/65/286365565.db2.gz QDIXZYCYXFFVGN-UHFFFAOYSA-N 1 1 300.305 2.608 20 5 DFBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(O)CC1 ZINC000352407348 286365567 /nfs/dbraw/zinc/36/55/67/286365567.db2.gz QDIXZYCYXFFVGN-UHFFFAOYSA-N 1 1 300.305 2.608 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000246955433 158108225 /nfs/dbraw/zinc/10/82/25/158108225.db2.gz RGCXCJSLXYPNFG-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000246955433 158108227 /nfs/dbraw/zinc/10/82/27/158108227.db2.gz RGCXCJSLXYPNFG-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO CC[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000247741643 158149714 /nfs/dbraw/zinc/14/97/14/158149714.db2.gz WZVNPBJXCZVVGG-NWDGAFQWSA-N 1 1 323.393 2.908 20 5 DFBDMO Cc1c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000247985025 158155087 /nfs/dbraw/zinc/15/50/87/158155087.db2.gz ITHCTBLYGZHUCR-RDJZCZTQSA-N 1 1 303.406 2.819 20 5 DFBDMO C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184646 158164493 /nfs/dbraw/zinc/16/44/93/158164493.db2.gz XBHDJOHZZVFPGF-NVXWUHKLSA-N 1 1 303.406 2.553 20 5 DFBDMO C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184646 158164496 /nfs/dbraw/zinc/16/44/96/158164496.db2.gz XBHDJOHZZVFPGF-NVXWUHKLSA-N 1 1 303.406 2.553 20 5 DFBDMO C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184646 158164501 /nfs/dbraw/zinc/16/45/01/158164501.db2.gz XBHDJOHZZVFPGF-NVXWUHKLSA-N 1 1 303.406 2.553 20 5 DFBDMO C[N@@H+]1CCC[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184646 158164505 /nfs/dbraw/zinc/16/45/05/158164505.db2.gz XBHDJOHZZVFPGF-NVXWUHKLSA-N 1 1 303.406 2.553 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184646 158164506 /nfs/dbraw/zinc/16/45/06/158164506.db2.gz XBHDJOHZZVFPGF-NVXWUHKLSA-N 1 1 303.406 2.553 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000248177168 158164627 /nfs/dbraw/zinc/16/46/27/158164627.db2.gz VTJPNLIZZDOSQQ-YOEHRIQHSA-N 1 1 320.389 2.601 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000248415526 158173773 /nfs/dbraw/zinc/17/37/73/158173773.db2.gz HZZFGBNYVWQULD-UGFHNGPFSA-N 1 1 317.389 2.704 20 5 DFBDMO C[C@@H](c1ccco1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248446803 158177726 /nfs/dbraw/zinc/17/77/26/158177726.db2.gz GZVHQFIRANHBRG-QWHCGFSZSA-N 1 1 320.345 2.621 20 5 DFBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000248465956 158178457 /nfs/dbraw/zinc/17/84/57/158178457.db2.gz RZBAXYFLHQCDFS-KGLIPLIRSA-N 1 1 310.394 2.701 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252551636 158205938 /nfs/dbraw/zinc/20/59/38/158205938.db2.gz PUCNCOZQGPEPCS-WDEREUQCSA-N 1 1 311.769 2.523 20 5 DFBDMO C[C@H](C1CCC1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000357029076 158351931 /nfs/dbraw/zinc/35/19/31/158351931.db2.gz VXTHSBMFBAIYFC-GFCCVEGCSA-N 1 1 305.378 2.678 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCc4[nH+]ccn43)n2)s1 ZINC000377798929 158945531 /nfs/dbraw/zinc/94/55/31/158945531.db2.gz ORJOAQQOVFWCSN-QMMMGPOBSA-N 1 1 317.330 2.829 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCC(C)CC1 ZINC000271610532 287051838 /nfs/dbraw/zinc/05/18/38/287051838.db2.gz KKQQZOZOGNVKPL-UONOGXRCSA-N 1 1 319.405 2.892 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000053364854 425887695 /nfs/dbraw/zinc/88/76/95/425887695.db2.gz FRTPBXHIWBBKKI-GFCCVEGCSA-N 1 1 323.393 2.908 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000129722707 196070795 /nfs/dbraw/zinc/07/07/95/196070795.db2.gz HGFOEHINYWNUHE-YGRLFVJLSA-N 1 1 311.357 2.883 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000129763703 196073554 /nfs/dbraw/zinc/07/35/54/196073554.db2.gz FAAKSFAICMAKAK-MFKMUULPSA-N 1 1 308.338 2.644 20 5 DFBDMO CC(C)[N@@H+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000054128184 425889370 /nfs/dbraw/zinc/88/93/70/425889370.db2.gz SMBSSFDNWIBLDE-UHFFFAOYSA-N 1 1 317.187 2.504 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000131182626 196147710 /nfs/dbraw/zinc/14/77/10/196147710.db2.gz VLDWMWQAHNWJCC-AWEZNQCLSA-N 1 1 319.386 2.655 20 5 DFBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000134265715 196374720 /nfs/dbraw/zinc/37/47/20/196374720.db2.gz QPRIQFQFYXSYBF-HNNXBMFYSA-N 1 1 314.389 2.917 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295620745 225055249 /nfs/dbraw/zinc/05/52/49/225055249.db2.gz OJYSWVAOCLKESH-DOMZBBRYSA-N 1 1 321.377 2.818 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295620745 225055255 /nfs/dbraw/zinc/05/52/55/225055255.db2.gz OJYSWVAOCLKESH-DOMZBBRYSA-N 1 1 321.377 2.818 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000291065471 222110710 /nfs/dbraw/zinc/11/07/10/222110710.db2.gz WQJJZAHWMRGYAH-CQSZACIVSA-N 1 1 321.421 2.764 20 5 DFBDMO Cc1cc(NCC2([N@@H+](C)CCO)CCCCC2)ccc1[N+](=O)[O-] ZINC000301962311 230005594 /nfs/dbraw/zinc/00/55/94/230005594.db2.gz RLHJIXYSUDLRSJ-UHFFFAOYSA-N 1 1 321.421 2.942 20 5 DFBDMO Cc1cccc(NC[C@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000302512214 230277890 /nfs/dbraw/zinc/27/78/90/230277890.db2.gz SZKXOARVMYODRN-OAHLLOKOSA-N 1 1 307.394 2.672 20 5 DFBDMO C[C@H](C1CC1)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000029725913 425828222 /nfs/dbraw/zinc/82/82/22/425828222.db2.gz VUJJJZVFKDZXAK-MLGOLLRUSA-N 1 1 320.389 2.597 20 5 DFBDMO CC(C)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000193214947 268062683 /nfs/dbraw/zinc/06/26/83/268062683.db2.gz SRMKUSPOHVAZBS-MRXNPFEDSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000248368249 268165923 /nfs/dbraw/zinc/16/59/23/268165923.db2.gz UZBVSUJKVLRGBB-RTXFEEFZSA-N 1 1 305.378 2.961 20 5 DFBDMO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000269623207 268189221 /nfs/dbraw/zinc/18/92/21/268189221.db2.gz OAZMXVKKMZHGOO-UHFFFAOYSA-N 1 1 309.366 2.551 20 5 DFBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000269623207 268189224 /nfs/dbraw/zinc/18/92/24/268189224.db2.gz OAZMXVKKMZHGOO-UHFFFAOYSA-N 1 1 309.366 2.551 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278880307 268268484 /nfs/dbraw/zinc/26/84/84/268268484.db2.gz TUFJUSCOHWGNMT-GWCFXTLKSA-N 1 1 318.295 2.903 20 5 DFBDMO Cc1ccc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000301059656 268322317 /nfs/dbraw/zinc/32/23/17/268322317.db2.gz BHIULKYHOXDSMN-QGZVFWFLSA-N 1 1 320.437 2.587 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H](C)C1 ZINC000332277674 268359545 /nfs/dbraw/zinc/35/95/45/268359545.db2.gz DDSWYKSGOBEIOH-LBPRGKRZSA-N 1 1 305.378 2.964 20 5 DFBDMO COc1ccc(C[N@@H+](CCCO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000106934518 425981597 /nfs/dbraw/zinc/98/15/97/425981597.db2.gz CQYSLXRLBCBYGG-UHFFFAOYSA-N 1 1 310.394 2.834 20 5 DFBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000125593748 425982010 /nfs/dbraw/zinc/98/20/10/425982010.db2.gz NPBYXIUMOZIGMY-CYBMUJFWSA-N 1 1 317.389 2.684 20 5 DFBDMO CC[C@H]([NH2+]Cc1c(C)nn(C)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000162317516 426060814 /nfs/dbraw/zinc/06/08/14/426060814.db2.gz BMZWMTIKAIGNKC-HNNXBMFYSA-N 1 1 318.377 2.886 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000072897611 426021223 /nfs/dbraw/zinc/02/12/23/426021223.db2.gz JKFQZNCOLCQKGW-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000072897611 426021226 /nfs/dbraw/zinc/02/12/26/426021226.db2.gz JKFQZNCOLCQKGW-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO CN(CCc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000075860345 426088002 /nfs/dbraw/zinc/08/80/02/426088002.db2.gz IKEJFTSZYOTUBY-INIZCTEOSA-N 1 1 305.422 2.944 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000113198761 426106066 /nfs/dbraw/zinc/10/60/66/426106066.db2.gz RDJUSLARYHHGLZ-CYBMUJFWSA-N 1 1 323.368 2.728 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000076489731 426113000 /nfs/dbraw/zinc/11/30/00/426113000.db2.gz FOABYYKUPCKHAF-CZUORRHYSA-N 1 1 319.405 2.706 20 5 DFBDMO Cc1ccc([C@H](C)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000168294952 426134404 /nfs/dbraw/zinc/13/44/04/426134404.db2.gz QBDGHSMPCBDUHR-AWEZNQCLSA-N 1 1 321.421 2.665 20 5 DFBDMO Cc1c([C@@H](C)NCC2([NH+](C)C)CCOCC2)cccc1[N+](=O)[O-] ZINC000168303942 426134671 /nfs/dbraw/zinc/13/46/71/426134671.db2.gz HBIUYYGPRKMNNW-CQSZACIVSA-N 1 1 321.421 2.665 20 5 DFBDMO CC[N@H+]1CCC[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000127597560 426074685 /nfs/dbraw/zinc/07/46/85/426074685.db2.gz OALAUOCPGIIYFC-ZDUSSCGKSA-N 1 1 320.393 2.817 20 5 DFBDMO CC(C)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000075611030 426078640 /nfs/dbraw/zinc/07/86/40/426078640.db2.gz MIAFXVBXCLMASM-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CC1 ZINC000114724121 426142952 /nfs/dbraw/zinc/14/29/52/426142952.db2.gz AXNKLFYORYSIER-UHFFFAOYSA-N 1 1 317.389 2.606 20 5 DFBDMO COc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000133608204 426182906 /nfs/dbraw/zinc/18/29/06/426182906.db2.gz BLHDJZBTWHKNCS-AAEUAGOBSA-N 1 1 323.368 2.663 20 5 DFBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000135593131 426223589 /nfs/dbraw/zinc/22/35/89/426223589.db2.gz DVPBKJGGCRONBM-HNNXBMFYSA-N 1 1 300.362 2.838 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135620391 426224433 /nfs/dbraw/zinc/22/44/33/426224433.db2.gz FVIOXTJBGGBORE-CYBMUJFWSA-N 1 1 306.362 2.537 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135620391 426224435 /nfs/dbraw/zinc/22/44/35/426224435.db2.gz FVIOXTJBGGBORE-CYBMUJFWSA-N 1 1 306.362 2.537 20 5 DFBDMO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000118825904 426247129 /nfs/dbraw/zinc/24/71/29/426247129.db2.gz GPAJTSXNXIHNET-JTQLQIEISA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000118825904 426247130 /nfs/dbraw/zinc/24/71/30/426247130.db2.gz GPAJTSXNXIHNET-JTQLQIEISA-N 1 1 312.753 2.633 20 5 DFBDMO C[N@@H+](CCOc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136808671 426247346 /nfs/dbraw/zinc/24/73/46/426247346.db2.gz AJFBLBBMLCRMQE-KRWDZBQOSA-N 1 1 316.357 2.639 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137076898 426250536 /nfs/dbraw/zinc/25/05/36/426250536.db2.gz TYNWFFYSNKFGLN-GHMZBOCLSA-N 1 1 323.780 2.557 20 5 DFBDMO Cc1nn(C)c(NC[C@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000119073469 426260414 /nfs/dbraw/zinc/26/04/14/426260414.db2.gz UGDJAPUBJZHTSE-CYBMUJFWSA-N 1 1 309.414 2.559 20 5 DFBDMO CC(C)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000117348959 426213195 /nfs/dbraw/zinc/21/31/95/426213195.db2.gz CZSAYLHMGDWTPV-CQSZACIVSA-N 1 1 305.378 2.704 20 5 DFBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171807590 426213934 /nfs/dbraw/zinc/21/39/34/426213934.db2.gz NQPKZMLGKMTIEF-LLVKDONJSA-N 1 1 324.768 2.560 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](COC)C1 ZINC000175230604 426289705 /nfs/dbraw/zinc/28/97/05/426289705.db2.gz UNHROHWBCHUWTA-ZDUSSCGKSA-N 1 1 308.378 2.852 20 5 DFBDMO CC(C)CO[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000119577339 426298587 /nfs/dbraw/zinc/29/85/87/426298587.db2.gz XKRMTZZHUIPBMM-AWEZNQCLSA-N 1 1 308.378 2.721 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175453173 426306123 /nfs/dbraw/zinc/30/61/23/426306123.db2.gz NLOLZYZIRWXJEV-UHFFFAOYSA-N 1 1 313.785 2.710 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000175612527 426318508 /nfs/dbraw/zinc/31/85/08/426318508.db2.gz DWPJBPUSRKRANF-UHFFFAOYSA-N 1 1 308.382 2.757 20 5 DFBDMO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090068479 426325544 /nfs/dbraw/zinc/32/55/44/426325544.db2.gz NLEPEPOTALFZIS-JKSUJKDBSA-N 1 1 313.357 2.862 20 5 DFBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000152538674 426345702 /nfs/dbraw/zinc/34/57/02/426345702.db2.gz HOZHWDLWIXREHG-CYBMUJFWSA-N 1 1 317.389 2.684 20 5 DFBDMO COc1ccc(Cl)cc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176198270 426360150 /nfs/dbraw/zinc/36/01/50/426360150.db2.gz UJLYLTRJCBZFIH-UHFFFAOYSA-N 1 1 324.768 2.585 20 5 DFBDMO COc1ccc(Cl)cc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176198270 426360151 /nfs/dbraw/zinc/36/01/51/426360151.db2.gz UJLYLTRJCBZFIH-UHFFFAOYSA-N 1 1 324.768 2.585 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153222967 426375902 /nfs/dbraw/zinc/37/59/02/426375902.db2.gz ZPFCPGNUKPUGPS-RWMBFGLXSA-N 1 1 303.362 2.654 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000154357099 426437853 /nfs/dbraw/zinc/43/78/53/426437853.db2.gz XXJJPMCZCDCLEY-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000154430128 426440241 /nfs/dbraw/zinc/44/02/41/426440241.db2.gz YCDXUYRBGWRNTK-XHSDSOJGSA-N 1 1 322.430 2.988 20 5 DFBDMO CS[C@@H]1CCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154663379 426449387 /nfs/dbraw/zinc/44/93/87/426449387.db2.gz WJQVJFXOXDEXEX-CABCVRRESA-N 1 1 310.419 2.846 20 5 DFBDMO CC(C)c1ccc(C[N@H+](C)[C@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000123918773 426460887 /nfs/dbraw/zinc/46/08/87/426460887.db2.gz OPSUSDNWLXKSEM-HNNXBMFYSA-N 1 1 319.405 2.819 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000123918773 426460889 /nfs/dbraw/zinc/46/08/89/426460889.db2.gz OPSUSDNWLXKSEM-HNNXBMFYSA-N 1 1 319.405 2.819 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1C ZINC000177323505 426467287 /nfs/dbraw/zinc/46/72/87/426467287.db2.gz CFBRYUQLTQXPCJ-CVEARBPZSA-N 1 1 303.406 2.962 20 5 DFBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1C ZINC000177323505 426467289 /nfs/dbraw/zinc/46/72/89/426467289.db2.gz CFBRYUQLTQXPCJ-CVEARBPZSA-N 1 1 303.406 2.962 20 5 DFBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1C ZINC000177323505 426467292 /nfs/dbraw/zinc/46/72/92/426467292.db2.gz CFBRYUQLTQXPCJ-CVEARBPZSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@H](NC(=O)C(C)C)C2)cccc1[N+](=O)[O-] ZINC000101551794 426484793 /nfs/dbraw/zinc/48/47/93/426484793.db2.gz ZMEVEQANUGEWTE-HNNXBMFYSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1c(C[N@@H+]2CCC[C@H](NC(=O)C(C)C)C2)cccc1[N+](=O)[O-] ZINC000101551794 426484794 /nfs/dbraw/zinc/48/47/94/426484794.db2.gz ZMEVEQANUGEWTE-HNNXBMFYSA-N 1 1 319.405 2.640 20 5 DFBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000101912784 426486962 /nfs/dbraw/zinc/48/69/62/426486962.db2.gz TYQHZYKAEFTZLK-OAHLLOKOSA-N 1 1 319.405 2.723 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177881974 426534481 /nfs/dbraw/zinc/53/44/81/426534481.db2.gz KMDTYDAIZOBTDC-UTUOFQBUSA-N 1 1 321.377 2.661 20 5 DFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000288854721 426542449 /nfs/dbraw/zinc/54/24/49/426542449.db2.gz PLOXBUKKFYFBHF-MRXNPFEDSA-N 1 1 308.378 2.588 20 5 DFBDMO CS[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272517534 426546733 /nfs/dbraw/zinc/54/67/33/426546733.db2.gz KLIIYTQYMFETKV-SMDDNHRTSA-N 1 1 320.418 2.759 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCc1cnccn1 ZINC000272531847 426549504 /nfs/dbraw/zinc/54/95/04/426549504.db2.gz QYFXWEGOMGZRFX-ZDUSSCGKSA-N 1 1 300.362 2.929 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCc2sccc2C1 ZINC000264429185 426551810 /nfs/dbraw/zinc/55/18/10/426551810.db2.gz CBVRXKSNOLGPEI-UHFFFAOYSA-N 1 1 318.402 2.830 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCc2sccc2C1 ZINC000264429185 426551812 /nfs/dbraw/zinc/55/18/12/426551812.db2.gz CBVRXKSNOLGPEI-UHFFFAOYSA-N 1 1 318.402 2.830 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000280341466 426553156 /nfs/dbraw/zinc/55/31/56/426553156.db2.gz SBZGBEAGBQCVQN-KRWDZBQOSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000280341466 426553161 /nfs/dbraw/zinc/55/31/61/426553161.db2.gz SBZGBEAGBQCVQN-KRWDZBQOSA-N 1 1 320.389 2.673 20 5 DFBDMO CC1([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)OCCO1 ZINC000273103450 426592513 /nfs/dbraw/zinc/59/25/13/426592513.db2.gz OZUMISWPONBGBI-ZDUSSCGKSA-N 1 1 324.352 2.709 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280552292 426598292 /nfs/dbraw/zinc/59/82/92/426598292.db2.gz UJZOESJRSVALAY-IOASZLSFSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280552292 426598297 /nfs/dbraw/zinc/59/82/97/426598297.db2.gz UJZOESJRSVALAY-IOASZLSFSA-N 1 1 306.362 2.536 20 5 DFBDMO CCC(C)(C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265275168 426611073 /nfs/dbraw/zinc/61/10/73/426611073.db2.gz XXYCWBNBFSJEAF-UHFFFAOYSA-N 1 1 305.378 2.604 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000280601459 426611250 /nfs/dbraw/zinc/61/12/50/426611250.db2.gz YFIGVWJHLSIFFA-JJRVBVJISA-N 1 1 320.389 2.672 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000280601459 426611253 /nfs/dbraw/zinc/61/12/53/426611253.db2.gz YFIGVWJHLSIFFA-JJRVBVJISA-N 1 1 320.389 2.672 20 5 DFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1cccc(O)c1 ZINC000178375389 426618604 /nfs/dbraw/zinc/61/86/04/426618604.db2.gz IHSYOXIWKMRAQH-LBPRGKRZSA-N 1 1 304.350 2.580 20 5 DFBDMO CCC(=O)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000280752400 426647809 /nfs/dbraw/zinc/64/78/09/426647809.db2.gz PQTAOMPSSICDKB-AWEZNQCLSA-N 1 1 315.373 2.638 20 5 DFBDMO Cc1ncc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000178575440 426656738 /nfs/dbraw/zinc/65/67/38/426656738.db2.gz PODZUXULAWBJOW-AWEZNQCLSA-N 1 1 307.375 2.525 20 5 DFBDMO Cc1c(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000289551224 426668255 /nfs/dbraw/zinc/66/82/55/426668255.db2.gz QDPQPUJXKRDZDG-LLVKDONJSA-N 1 1 308.382 2.753 20 5 DFBDMO COc1ccc(C[NH2+][C@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000187565018 426672017 /nfs/dbraw/zinc/67/20/17/426672017.db2.gz YPNFAYHHUXBNBG-CQSZACIVSA-N 1 1 321.421 2.958 20 5 DFBDMO Cc1cnn([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000290049382 426682350 /nfs/dbraw/zinc/68/23/50/426682350.db2.gz WXMJLIXQXZJHDY-AWEZNQCLSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000290049382 426682354 /nfs/dbraw/zinc/68/23/54/426682354.db2.gz WXMJLIXQXZJHDY-AWEZNQCLSA-N 1 1 304.325 2.686 20 5 DFBDMO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)n1 ZINC000290091922 426691030 /nfs/dbraw/zinc/69/10/30/426691030.db2.gz HLEYZHAGNKUFCR-NSHDSACASA-N 1 1 317.345 2.858 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000290195903 426715139 /nfs/dbraw/zinc/71/51/39/426715139.db2.gz MYCNZAAPQRLLFA-ZDUSSCGKSA-N 1 1 321.421 2.682 20 5 DFBDMO COc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504399 426779441 /nfs/dbraw/zinc/77/94/41/426779441.db2.gz PHATXFWXXSKABE-GJZGRUSLSA-N 1 1 319.405 2.520 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000266852909 426785222 /nfs/dbraw/zinc/78/52/22/426785222.db2.gz JICKMQMAXKKNNB-NEPJUHHUSA-N 1 1 305.378 2.693 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000188117879 426723828 /nfs/dbraw/zinc/72/38/28/426723828.db2.gz VZTQYAFVFNLAOR-DOMZBBRYSA-N 1 1 306.362 2.534 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281625163 426731816 /nfs/dbraw/zinc/73/18/16/426731816.db2.gz HTKDJJYSWYDUJF-OCCSQVGLSA-N 1 1 308.378 2.993 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000245435568 426739247 /nfs/dbraw/zinc/73/92/47/426739247.db2.gz QMTDSBSYFFVVEA-OLZOCXBDSA-N 1 1 307.369 2.793 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000245435569 426739432 /nfs/dbraw/zinc/73/94/32/426739432.db2.gz QMTDSBSYFFVVEA-STQMWFEESA-N 1 1 307.369 2.793 20 5 DFBDMO C[N@H+](CCC1OCCCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000267018956 426812446 /nfs/dbraw/zinc/81/24/46/426812446.db2.gz ATKQOBPNHYCEAN-UHFFFAOYSA-N 1 1 314.769 2.833 20 5 DFBDMO C[N@@H+](CCC1OCCCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000267018956 426812452 /nfs/dbraw/zinc/81/24/52/426812452.db2.gz ATKQOBPNHYCEAN-UHFFFAOYSA-N 1 1 314.769 2.833 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000290681170 426817904 /nfs/dbraw/zinc/81/79/04/426817904.db2.gz UBPFPVZFFLDMEK-GFCCVEGCSA-N 1 1 307.394 2.753 20 5 DFBDMO CCc1ccc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000267092502 426823300 /nfs/dbraw/zinc/82/33/00/426823300.db2.gz QKEXHUQHWHUIOQ-ZDUSSCGKSA-N 1 1 304.350 2.784 20 5 DFBDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267110013 426825077 /nfs/dbraw/zinc/82/50/77/426825077.db2.gz XARPSNJBJABLQN-GOEBONIOSA-N 1 1 314.389 2.744 20 5 DFBDMO COc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000290745371 426829941 /nfs/dbraw/zinc/82/99/41/426829941.db2.gz HWJMARQIXNMCOE-VHSXEESVSA-N 1 1 309.341 2.780 20 5 DFBDMO COc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000290745374 426830390 /nfs/dbraw/zinc/83/03/90/426830390.db2.gz HWJMARQIXNMCOE-ZJUUUORDSA-N 1 1 309.341 2.780 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000290834529 426849380 /nfs/dbraw/zinc/84/93/80/426849380.db2.gz VACCIMQQEVSMAA-AAEUAGOBSA-N 1 1 305.378 2.778 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000275802687 426921675 /nfs/dbraw/zinc/92/16/75/426921675.db2.gz FERGAMKVGHAOSZ-CTYIDZIISA-N 1 1 308.378 2.729 20 5 DFBDMO CCc1noc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282394173 426901855 /nfs/dbraw/zinc/90/18/55/426901855.db2.gz HBGZDIPDXHZZOW-NSHDSACASA-N 1 1 304.350 2.776 20 5 DFBDMO CCc1noc([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282394173 426901857 /nfs/dbraw/zinc/90/18/57/426901857.db2.gz HBGZDIPDXHZZOW-NSHDSACASA-N 1 1 304.350 2.776 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247101478 426903778 /nfs/dbraw/zinc/90/37/78/426903778.db2.gz IEZNIBKTKMOKHA-UONOGXRCSA-N 1 1 315.377 2.660 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283104874 426952994 /nfs/dbraw/zinc/95/29/94/426952994.db2.gz MAZNUJGLFNVUTR-KBPBESRZSA-N 1 1 307.369 2.793 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1F ZINC000283106423 426953408 /nfs/dbraw/zinc/95/34/08/426953408.db2.gz MBVJDGRHBLFUND-GFCCVEGCSA-N 1 1 304.325 2.837 20 5 DFBDMO CS[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042515 427056106 /nfs/dbraw/zinc/05/61/06/427056106.db2.gz AOGWSRZKICWSSA-NEPJUHHUSA-N 1 1 323.418 2.668 20 5 DFBDMO CS[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042515 427056114 /nfs/dbraw/zinc/05/61/14/427056114.db2.gz AOGWSRZKICWSSA-NEPJUHHUSA-N 1 1 323.418 2.668 20 5 DFBDMO CC[C@]1(C)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248475185 427004060 /nfs/dbraw/zinc/00/40/60/427004060.db2.gz XNMWKRJEHXQSKM-RHSMWYFYSA-N 1 1 322.405 2.847 20 5 DFBDMO Cc1nc(NCC[N@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000268430012 427017156 /nfs/dbraw/zinc/01/71/56/427017156.db2.gz BAPVTMJLFJNYLG-UHFFFAOYSA-N 1 1 318.402 2.830 20 5 DFBDMO Cc1nc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268448486 427020986 /nfs/dbraw/zinc/02/09/86/427020986.db2.gz FNAYMNPHIYTGOT-TXEJJXNPSA-N 1 1 322.409 2.598 20 5 DFBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000292067476 427077868 /nfs/dbraw/zinc/07/78/68/427077868.db2.gz WZMROACIYGPJDN-LBPRGKRZSA-N 1 1 300.362 2.531 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@H](C)CC1 ZINC000249061636 427083498 /nfs/dbraw/zinc/08/34/98/427083498.db2.gz PGHQSXURELXABF-VXGBXAGGSA-N 1 1 323.418 2.749 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@H](C)CC1 ZINC000249061636 427083505 /nfs/dbraw/zinc/08/35/05/427083505.db2.gz PGHQSXURELXABF-VXGBXAGGSA-N 1 1 323.418 2.749 20 5 DFBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1(C)C 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ZINC000293910217 427484661 /nfs/dbraw/zinc/48/46/61/427484661.db2.gz WVHXGIAOHOALBV-NOZJJQNGSA-N 1 1 318.295 2.816 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cc(Cl)c1=O)Cc1ccccc1 ZINC000278555914 427442468 /nfs/dbraw/zinc/44/24/68/427442468.db2.gz MCFNNHMWVDZCIH-UHFFFAOYSA-N 1 1 321.764 2.542 20 5 DFBDMO Cc1noc([C@@H]2CC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000332083393 427504656 /nfs/dbraw/zinc/50/46/56/427504656.db2.gz OVQPBVFAUJDUNV-ZWNOBZJWSA-N 1 1 302.334 2.837 20 5 DFBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000271438312 427537810 /nfs/dbraw/zinc/53/78/10/427537810.db2.gz BPGWYIDHSZETQN-CHWSQXEVSA-N 1 1 305.378 2.821 20 5 DFBDMO Cc1ccc(N2CCC(Nc3ncc([N+](=O)[O-])s3)CC2)[nH+]c1 ZINC000192463120 427545810 /nfs/dbraw/zinc/54/58/10/427545810.db2.gz NBQYSESGNHZBGA-UHFFFAOYSA-N 1 1 319.390 2.836 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332244514 427556745 /nfs/dbraw/zinc/55/67/45/427556745.db2.gz SIOLUZWBBFZYMX-ZKYQVNSYSA-N 1 1 310.781 2.841 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC3)n2)c1 ZINC000279113738 427561036 /nfs/dbraw/zinc/56/10/36/427561036.db2.gz YVIOIRXODCACEN-ZDUSSCGKSA-N 1 1 300.318 2.944 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCC[N@H+]3C3CC3)n2)c1 ZINC000279113738 427561042 /nfs/dbraw/zinc/56/10/42/427561042.db2.gz YVIOIRXODCACEN-ZDUSSCGKSA-N 1 1 300.318 2.944 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000332274640 427565234 /nfs/dbraw/zinc/56/52/34/427565234.db2.gz XERVXNGGKNSTQG-JKOKRWQUSA-N 1 1 310.781 2.841 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c(Cl)c1 ZINC000332274644 427566533 /nfs/dbraw/zinc/56/65/33/427566533.db2.gz XERVXNGGKNSTQG-VHRBIJSZSA-N 1 1 310.781 2.841 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCSC[C@@H](C)C1 ZINC000332319047 427578795 /nfs/dbraw/zinc/57/87/95/427578795.db2.gz OEHNMCUNIZVBJL-NSHDSACASA-N 1 1 323.418 2.527 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000332319047 427578802 /nfs/dbraw/zinc/57/88/02/427578802.db2.gz OEHNMCUNIZVBJL-NSHDSACASA-N 1 1 323.418 2.527 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCSCC[C@@H]1C ZINC000332333711 427581116 /nfs/dbraw/zinc/58/11/16/427581116.db2.gz MMJCKVPFRFUKQM-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCSCC[C@@H]1C ZINC000332333711 427581125 /nfs/dbraw/zinc/58/11/25/427581125.db2.gz MMJCKVPFRFUKQM-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2nccn21 ZINC000338953000 427583700 /nfs/dbraw/zinc/58/37/00/427583700.db2.gz AICGKQNGYWBEMJ-UHFFFAOYSA-N 1 1 310.357 2.917 20 5 DFBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000339009966 427623513 /nfs/dbraw/zinc/62/35/13/427623513.db2.gz HKCIJVFREIIHLT-GDBMZVCRSA-N 1 1 308.378 2.936 20 5 DFBDMO CO[C@]1(C)C[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000339009966 427623518 /nfs/dbraw/zinc/62/35/18/427623518.db2.gz HKCIJVFREIIHLT-GDBMZVCRSA-N 1 1 308.378 2.936 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000332380730 427594740 /nfs/dbraw/zinc/59/47/40/427594740.db2.gz GQGXMDNRIQZUOV-UHFFFAOYSA-N 1 1 319.405 2.751 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000264005129 427631648 /nfs/dbraw/zinc/63/16/48/427631648.db2.gz HCIBPLJPXCOHOA-QGZVFWFLSA-N 1 1 316.357 2.639 20 5 DFBDMO COc1ccc(C[N@@H+](C)[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000264049248 427643378 /nfs/dbraw/zinc/64/33/78/427643378.db2.gz UTOMLRSYUZMWIQ-MRXNPFEDSA-N 1 1 316.357 2.769 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1(CO)CC1 ZINC000294639851 427649998 /nfs/dbraw/zinc/64/99/98/427649998.db2.gz PUEDJHHJDVUJLM-UHFFFAOYSA-N 1 1 318.295 2.818 20 5 DFBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000339012486 427625311 /nfs/dbraw/zinc/62/53/11/427625311.db2.gz WFLLWBNJDHWMTF-INIZCTEOSA-N 1 1 306.362 2.693 20 5 DFBDMO CC1=CC[N@@H+](CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000342858405 272062459 /nfs/dbraw/zinc/06/24/59/272062459.db2.gz YXVAXIZRKBIIFY-UHFFFAOYSA-N 1 1 319.390 2.663 20 5 DFBDMO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000343066224 272081570 /nfs/dbraw/zinc/08/15/70/272081570.db2.gz BFRRIFCPEVPSQO-CHWSQXEVSA-N 1 1 305.378 2.588 20 5 DFBDMO C[C@]1(F)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295058652 427675977 /nfs/dbraw/zinc/67/59/77/427675977.db2.gz BEBMAVNQQINLNY-HNNXBMFYSA-N 1 1 309.341 2.747 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000343634329 272189358 /nfs/dbraw/zinc/18/93/58/272189358.db2.gz UXYADULLQSIKOS-UHFFFAOYSA-N 1 1 312.373 2.619 20 5 DFBDMO CC[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000343914222 272236154 /nfs/dbraw/zinc/23/61/54/272236154.db2.gz VBTABUXIFUISII-HOCLYGCPSA-N 1 1 322.405 2.847 20 5 DFBDMO Cc1c(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000343918040 272237288 /nfs/dbraw/zinc/23/72/88/272237288.db2.gz HCUFUMBKMAAYJE-CZUORRHYSA-N 1 1 303.406 2.962 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000344082716 272259115 /nfs/dbraw/zinc/25/91/15/272259115.db2.gz RXEYWOMGZLDGFU-DZGCQCFKSA-N 1 1 322.405 2.703 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344137683 272271473 /nfs/dbraw/zinc/27/14/73/272271473.db2.gz WIFZZRRZGHDCBZ-UONOGXRCSA-N 1 1 322.405 2.975 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344137683 272271475 /nfs/dbraw/zinc/27/14/75/272271475.db2.gz WIFZZRRZGHDCBZ-UONOGXRCSA-N 1 1 322.405 2.975 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344629849 272349656 /nfs/dbraw/zinc/34/96/56/272349656.db2.gz BJRCYEHZVOSZDC-CQSZACIVSA-N 1 1 319.405 2.753 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000344658121 272352731 /nfs/dbraw/zinc/35/27/31/272352731.db2.gz GRNHZRZHQJZQEE-CQSZACIVSA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000344910187 272384619 /nfs/dbraw/zinc/38/46/19/272384619.db2.gz FDJNJFJULVZXDY-AAEUAGOBSA-N 1 1 306.366 2.507 20 5 DFBDMO CC[C@H]1Cc2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185791909 427706982 /nfs/dbraw/zinc/70/69/82/427706982.db2.gz OBXDVWGIBFEQQE-HNNXBMFYSA-N 1 1 300.362 2.628 20 5 DFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000301069981 427773560 /nfs/dbraw/zinc/77/35/60/427773560.db2.gz FNFVTYGJMRWMFD-QWRGUYRKSA-N 1 1 323.422 2.836 20 5 DFBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301119756 427776796 /nfs/dbraw/zinc/77/67/96/427776796.db2.gz NELJSCPGVYTTOI-GFCCVEGCSA-N 1 1 300.362 2.897 20 5 DFBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000336969522 427781340 /nfs/dbraw/zinc/78/13/40/427781340.db2.gz BLEGAVCTRQDTGB-UHFFFAOYSA-N 1 1 303.318 2.648 20 5 DFBDMO CC(=O)c1cc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000288025485 427730302 /nfs/dbraw/zinc/73/03/02/427730302.db2.gz WRWRGJGYIVMUAD-NHYWBVRUSA-N 1 1 305.378 2.938 20 5 DFBDMO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000299023308 427740194 /nfs/dbraw/zinc/74/01/94/427740194.db2.gz NORTUDTZYICMIB-GHMZBOCLSA-N 1 1 311.407 2.507 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000299081300 427748005 /nfs/dbraw/zinc/74/80/05/427748005.db2.gz SGHKBBCGTYGYGL-JSGCOSHPSA-N 1 1 323.780 2.605 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000194602882 427748101 /nfs/dbraw/zinc/74/81/01/427748101.db2.gz ZXURILHOECPFFM-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000301589910 427808214 /nfs/dbraw/zinc/80/82/14/427808214.db2.gz YHNSAHSCWGJTMQ-AWEZNQCLSA-N 1 1 307.394 2.672 20 5 DFBDMO CN(C(=O)C[N@H+]1CC[C@H](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000339682037 427811369 /nfs/dbraw/zinc/81/13/69/427811369.db2.gz IRCUKRKHNSBFQF-CQSZACIVSA-N 1 1 317.389 2.680 20 5 DFBDMO Cc1nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301689965 427816382 /nfs/dbraw/zinc/81/63/82/427816382.db2.gz YEXUZPUWOPWQRW-AWEZNQCLSA-N 1 1 304.394 2.975 20 5 DFBDMO CC/C=C\CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339740613 427820946 /nfs/dbraw/zinc/82/09/46/427820946.db2.gz XWVQHCMLGZXFCU-ARJAWSKDSA-N 1 1 317.389 2.709 20 5 DFBDMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)cc1 ZINC000301822575 427827384 /nfs/dbraw/zinc/82/73/84/427827384.db2.gz HGJBXORQGGXVAW-HOCLYGCPSA-N 1 1 316.336 2.986 20 5 DFBDMO COc1cc(NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000301871272 427831743 /nfs/dbraw/zinc/83/17/43/427831743.db2.gz DAMOURQDZYFUJD-GFCCVEGCSA-N 1 1 323.393 2.756 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000359437173 427852308 /nfs/dbraw/zinc/85/23/08/427852308.db2.gz JKZVANHPBLZCLV-RYUDHWBXSA-N 1 1 309.414 2.794 20 5 DFBDMO O=C(CC[N@H+]1CC[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337354657 427861518 /nfs/dbraw/zinc/86/15/18/427861518.db2.gz BOQDTXLCTQGJFA-JSGCOSHPSA-N 1 1 303.362 2.798 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000359479565 427869157 /nfs/dbraw/zinc/86/91/57/427869157.db2.gz GYHRIYHDWCTJOR-TXEJJXNPSA-N 1 1 309.414 2.794 20 5 DFBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]2C1 ZINC000302865682 427880914 /nfs/dbraw/zinc/88/09/14/427880914.db2.gz UPOAEEXLDBAIAB-GASCZTMLSA-N 1 1 324.384 2.655 20 5 DFBDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000355777564 427887132 /nfs/dbraw/zinc/88/71/32/427887132.db2.gz CDHAUPBSAANHDX-UPJWGTAASA-N 1 1 305.378 2.900 20 5 DFBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000349965349 427909706 /nfs/dbraw/zinc/90/97/06/427909706.db2.gz FNEGBVSMWAZXLF-UHFFFAOYSA-N 1 1 308.378 2.924 20 5 DFBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@@H]1C ZINC000340055247 427913716 /nfs/dbraw/zinc/91/37/16/427913716.db2.gz UVXXEAMCQPVVIA-NWDGAFQWSA-N 1 1 323.368 2.727 20 5 DFBDMO CC[N@H+](Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1)C1CC1 ZINC000351150056 428022652 /nfs/dbraw/zinc/02/26/52/428022652.db2.gz SGUQOBUIEMFWRC-UHFFFAOYSA-N 1 1 302.334 2.938 20 5 DFBDMO CC[N@@H+](Cc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1)C1CC1 ZINC000351150056 428022659 /nfs/dbraw/zinc/02/26/59/428022659.db2.gz SGUQOBUIEMFWRC-UHFFFAOYSA-N 1 1 302.334 2.938 20 5 DFBDMO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000346052019 428002332 /nfs/dbraw/zinc/00/23/32/428002332.db2.gz ARTIIJRDQUFZLM-ZDUSSCGKSA-N 1 1 323.780 2.557 20 5 DFBDMO O=[N+]([O-])c1ccc(CCN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000369600767 428012967 /nfs/dbraw/zinc/01/29/67/428012967.db2.gz VKKVGRFUAWAURZ-BPQIPLTHSA-N 1 1 315.417 2.553 20 5 DFBDMO O=[N+]([O-])c1ccc(CCN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000369600767 428012970 /nfs/dbraw/zinc/01/29/70/428012970.db2.gz VKKVGRFUAWAURZ-BPQIPLTHSA-N 1 1 315.417 2.553 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359774841 428014203 /nfs/dbraw/zinc/01/42/03/428014203.db2.gz OIJINWHDYCGLMI-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO Cc1c(-c2noc([C@@H]3C[N@H+](C)C[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000351145345 428020259 /nfs/dbraw/zinc/02/02/59/428020259.db2.gz JVVUVVRTXXRMCA-BXKDBHETSA-N 1 1 302.334 2.618 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000377175211 428077087 /nfs/dbraw/zinc/07/70/87/428077087.db2.gz HAGGWKZFAXERCS-ZNMIVQPWSA-N 1 1 320.389 2.599 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000369857267 428077952 /nfs/dbraw/zinc/07/79/52/428077952.db2.gz RCBWVPPSYNPXJY-INIZCTEOSA-N 1 1 318.352 2.631 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000369857267 428077953 /nfs/dbraw/zinc/07/79/53/428077953.db2.gz RCBWVPPSYNPXJY-INIZCTEOSA-N 1 1 318.352 2.631 20 5 DFBDMO Cc1c(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000377212271 428085521 /nfs/dbraw/zinc/08/55/21/428085521.db2.gz AATOSRRGFVRCOW-SUMWQHHRSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1c(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000377212271 428085526 /nfs/dbraw/zinc/08/55/26/428085526.db2.gz AATOSRRGFVRCOW-SUMWQHHRSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377426554 428127740 /nfs/dbraw/zinc/12/77/40/428127740.db2.gz QABAJBUMLJOPSE-CHWSQXEVSA-N 1 1 318.377 2.652 20 5 DFBDMO Cc1c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000377248648 428093165 /nfs/dbraw/zinc/09/31/65/428093165.db2.gz HFEXPZHMKFFVJY-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO Cc1ccc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)s1 ZINC000369996449 428105228 /nfs/dbraw/zinc/10/52/28/428105228.db2.gz MAKQCFQSOYIPHF-CYBMUJFWSA-N 1 1 306.391 2.998 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000370000956 428105820 /nfs/dbraw/zinc/10/58/20/428105820.db2.gz FZIAGNIBWYYZTA-OAHLLOKOSA-N 1 1 318.352 2.638 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000369996591 428106244 /nfs/dbraw/zinc/10/62/44/428106244.db2.gz DYMUWJHLHQBTHD-MRXNPFEDSA-N 1 1 314.389 2.746 20 5 DFBDMO C[C@H]1C[C@@H](c2cccs2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046820 428121749 /nfs/dbraw/zinc/12/17/49/428121749.db2.gz TZUOCQKBEGAZDK-WDEREUQCSA-N 1 1 306.391 2.768 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358239 428135465 /nfs/dbraw/zinc/13/54/65/428135465.db2.gz XICTVNHHMLEYIK-ZDUSSCGKSA-N 1 1 314.389 3.429 20 5 DFBDMO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070105 428142168 /nfs/dbraw/zinc/14/21/68/428142168.db2.gz GXPHQEODECXDSB-TZMCWYRMSA-N 1 1 307.369 2.963 20 5 DFBDMO COC(=O)C(C)(C)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571310 428154834 /nfs/dbraw/zinc/15/48/34/428154834.db2.gz SYFVCTBRVFOKRK-UHFFFAOYSA-N 1 1 308.378 2.658 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(F)c1 ZINC000352609019 428167953 /nfs/dbraw/zinc/16/79/53/428167953.db2.gz QIHAOSDTAUAXMV-OAHLLOKOSA-N 1 1 324.352 2.504 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC1CCCC1)CCO2 ZINC000352622226 428173660 /nfs/dbraw/zinc/17/36/60/428173660.db2.gz YYBTWLVBTWQOCM-MRXNPFEDSA-N 1 1 320.389 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CC1CCCC1)CCO2 ZINC000352622226 428173665 /nfs/dbraw/zinc/17/36/65/428173665.db2.gz YYBTWLVBTWQOCM-MRXNPFEDSA-N 1 1 320.389 2.730 20 5 DFBDMO CCCC(=O)N1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000360125007 428174380 /nfs/dbraw/zinc/17/43/80/428174380.db2.gz XMACNDMQSUHEAU-CQSZACIVSA-N 1 1 319.405 2.990 20 5 DFBDMO CCCC(=O)N1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000360125007 428174383 /nfs/dbraw/zinc/17/43/83/428174383.db2.gz XMACNDMQSUHEAU-CQSZACIVSA-N 1 1 319.405 2.990 20 5 DFBDMO C[C@@H](NCc1ncc(C[NH+](C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000352773521 428240693 /nfs/dbraw/zinc/24/06/93/428240693.db2.gz UCSWZKDAQLMXQJ-LLVKDONJSA-N 1 1 320.418 2.964 20 5 DFBDMO CC(C)C[C@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000356517489 428214977 /nfs/dbraw/zinc/21/49/77/428214977.db2.gz WLOQGCPZCBNQDS-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)C[C@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000356517489 428214983 /nfs/dbraw/zinc/21/49/83/428214983.db2.gz WLOQGCPZCBNQDS-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO CCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000346600735 428235193 /nfs/dbraw/zinc/23/51/93/428235193.db2.gz JHZMYTWGQVQINR-UHFFFAOYSA-N 1 1 307.394 2.926 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000341788658 428198987 /nfs/dbraw/zinc/19/89/87/428198987.db2.gz ALUHUKIZECJVJR-CYBMUJFWSA-N 1 1 319.405 2.884 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000341788658 428198993 /nfs/dbraw/zinc/19/89/93/428198993.db2.gz ALUHUKIZECJVJR-CYBMUJFWSA-N 1 1 319.405 2.884 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342738 428264517 /nfs/dbraw/zinc/26/45/17/428264517.db2.gz MSZGMGSPOGSBBX-JSGCOSHPSA-N 1 1 307.394 2.738 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342738 428264522 /nfs/dbraw/zinc/26/45/22/428264522.db2.gz MSZGMGSPOGSBBX-JSGCOSHPSA-N 1 1 307.394 2.738 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000342020831 428276552 /nfs/dbraw/zinc/27/65/52/428276552.db2.gz OIIGRPBCWZGXFW-HIFRSBDPSA-N 1 1 306.362 2.747 20 5 DFBDMO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CCCC1 ZINC000352888165 428297467 /nfs/dbraw/zinc/29/74/67/428297467.db2.gz MPNAPVVNWMHBCW-UHFFFAOYSA-N 1 1 321.421 2.781 20 5 DFBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CCCC1 ZINC000352888165 428297475 /nfs/dbraw/zinc/29/74/75/428297475.db2.gz MPNAPVVNWMHBCW-UHFFFAOYSA-N 1 1 321.421 2.781 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000346628072 428246105 /nfs/dbraw/zinc/24/61/05/428246105.db2.gz AIBZQCJEAUSTEN-VHSXEESVSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000346628072 428246109 /nfs/dbraw/zinc/24/61/09/428246109.db2.gz AIBZQCJEAUSTEN-VHSXEESVSA-N 1 1 312.753 2.632 20 5 DFBDMO CC[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC000352910528 428309176 /nfs/dbraw/zinc/30/91/76/428309176.db2.gz DUQFNECOPINBFI-UHFFFAOYSA-N 1 1 308.382 2.755 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000378131864 428317656 /nfs/dbraw/zinc/31/76/56/428317656.db2.gz GTCNNCUVNYUPCR-KBPBESRZSA-N 1 1 304.394 2.751 20 5 DFBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000414553455 428337612 /nfs/dbraw/zinc/33/76/12/428337612.db2.gz FRLSHDGOLYEUJS-MRXNPFEDSA-N 1 1 306.362 2.678 20 5 DFBDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000360658002 428387856 /nfs/dbraw/zinc/38/78/56/428387856.db2.gz PYAVFLVHWMIHGZ-CQSZACIVSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000360658002 428387864 /nfs/dbraw/zinc/38/78/64/428387864.db2.gz PYAVFLVHWMIHGZ-CQSZACIVSA-N 1 1 300.362 2.974 20 5 DFBDMO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353048602 428369391 /nfs/dbraw/zinc/36/93/91/428369391.db2.gz VJNITKNFMVXHTB-BXUZGUMPSA-N 1 1 311.813 2.721 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)cs1 ZINC000372538672 428459398 /nfs/dbraw/zinc/45/93/98/428459398.db2.gz XEJCYDMOMIGNHZ-LBPRGKRZSA-N 1 1 304.375 2.826 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cs1 ZINC000372538672 428459407 /nfs/dbraw/zinc/45/94/07/428459407.db2.gz XEJCYDMOMIGNHZ-LBPRGKRZSA-N 1 1 304.375 2.826 20 5 DFBDMO [NH3+]C[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347046559 428423349 /nfs/dbraw/zinc/42/33/49/428423349.db2.gz ORCWZSPFLMMBOX-GFCCVEGCSA-N 1 1 301.346 2.635 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000357317872 428480256 /nfs/dbraw/zinc/48/02/56/428480256.db2.gz RQFRCOGZBBUSJC-AWEZNQCLSA-N 1 1 307.394 2.672 20 5 DFBDMO CCc1nc(NCCc2ccc(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000342941792 428492054 /nfs/dbraw/zinc/49/20/54/428492054.db2.gz YBBIMUYLHQSJRN-UHFFFAOYSA-N 1 1 320.780 3.564 20 5 DFBDMO CC(C)[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000347222559 428500661 /nfs/dbraw/zinc/50/06/61/428500661.db2.gz DGSUHEQUVZVYOP-AWEZNQCLSA-N 1 1 324.356 2.538 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+](C)C1CCCCC1 ZINC000360952522 428505496 /nfs/dbraw/zinc/50/54/96/428505496.db2.gz BUQLYPRPHFVLLH-UHFFFAOYSA-N 1 1 309.414 2.796 20 5 DFBDMO CCc1nn(C)c(N(C)CC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000360955695 428507665 /nfs/dbraw/zinc/50/76/65/428507665.db2.gz XPTSZJYNNGCLOS-UHFFFAOYSA-N 1 1 323.441 2.591 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000360953383 428507909 /nfs/dbraw/zinc/50/79/09/428507909.db2.gz KPJRJWXAZAIADJ-ZDUSSCGKSA-N 1 1 309.414 2.652 20 5 DFBDMO CCc1nn(C)c(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000360960828 428512146 /nfs/dbraw/zinc/51/21/46/428512146.db2.gz NBQHXOIMWLXZSC-GFCCVEGCSA-N 1 1 323.441 2.813 20 5 DFBDMO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000343076705 428518438 /nfs/dbraw/zinc/51/84/38/428518438.db2.gz NSUUTVQMZUPTCL-UONOGXRCSA-N 1 1 319.405 2.516 20 5 DFBDMO C[C@H]1[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000357300111 428471735 /nfs/dbraw/zinc/47/17/35/428471735.db2.gz DVRLXZAWCOORQQ-CYBMUJFWSA-N 1 1 308.378 2.863 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353296522 428473519 /nfs/dbraw/zinc/47/35/19/428473519.db2.gz CGDYOCQCBPIBAH-AWEZNQCLSA-N 1 1 306.366 2.591 20 5 DFBDMO Cc1ccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000347445796 428580881 /nfs/dbraw/zinc/58/08/81/428580881.db2.gz NYMATGQJZWMGOF-UHFFFAOYSA-N 1 1 319.405 2.755 20 5 DFBDMO CSC[C@@H](C)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353533033 428581020 /nfs/dbraw/zinc/58/10/20/428581020.db2.gz XCZKAIVLRFSAKR-BXUZGUMPSA-N 1 1 320.418 2.759 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357563292 428544529 /nfs/dbraw/zinc/54/45/29/428544529.db2.gz HFQMENDKMLHLCX-LLVKDONJSA-N 1 1 303.366 2.679 20 5 DFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CCCCCC3)C2)nc1 ZINC000373379541 428562050 /nfs/dbraw/zinc/56/20/50/428562050.db2.gz QXQZTDASMIJWLD-GFCCVEGCSA-N 1 1 305.382 2.594 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cncnc2C1 ZINC000347375065 428565485 /nfs/dbraw/zinc/56/54/85/428565485.db2.gz YZHHFZBQUNMTFT-NTUHNPAUSA-N 1 1 310.357 2.846 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2cncnc2C1 ZINC000347375065 428565493 /nfs/dbraw/zinc/56/54/93/428565493.db2.gz YZHHFZBQUNMTFT-NTUHNPAUSA-N 1 1 310.357 2.846 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000353590400 428609127 /nfs/dbraw/zinc/60/91/27/428609127.db2.gz JABREPJDXQOMHD-GXTWGEPZSA-N 1 1 318.402 2.513 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+]CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353615711 428622569 /nfs/dbraw/zinc/62/25/69/428622569.db2.gz ADKFLNOEZFTETP-OAHLLOKOSA-N 1 1 300.362 2.807 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000408306355 428637602 /nfs/dbraw/zinc/63/76/02/428637602.db2.gz CORNUJDWGSRSKJ-STQMWFEESA-N 1 1 320.393 2.768 20 5 DFBDMO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)[C@H]2C1 ZINC000158126161 274065530 /nfs/dbraw/zinc/06/55/30/274065530.db2.gz AISALUJFVWHQSG-HYVNUMGLSA-N 1 1 320.389 2.672 20 5 DFBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)[C@H]2C1 ZINC000158126161 274065533 /nfs/dbraw/zinc/06/55/33/274065533.db2.gz AISALUJFVWHQSG-HYVNUMGLSA-N 1 1 320.389 2.672 20 5 DFBDMO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284811328 274080415 /nfs/dbraw/zinc/08/04/15/274080415.db2.gz PGOFNIWBASBRRZ-GWCFXTLKSA-N 1 1 309.322 2.502 20 5 DFBDMO CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284811328 274080416 /nfs/dbraw/zinc/08/04/16/274080416.db2.gz PGOFNIWBASBRRZ-GWCFXTLKSA-N 1 1 309.322 2.502 20 5 DFBDMO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000358738779 428651045 /nfs/dbraw/zinc/65/10/45/428651045.db2.gz BJXXNSNVKMGIIJ-MRXNPFEDSA-N 1 1 323.356 2.635 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247796715 274302102 /nfs/dbraw/zinc/30/21/02/274302102.db2.gz ZSGMZDGXOXYUKO-RHSMWYFYSA-N 1 1 314.389 2.917 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000408063598 274316415 /nfs/dbraw/zinc/31/64/15/274316415.db2.gz WBTBGIZJMODRIL-GUTXKFCHSA-N 1 1 304.394 2.831 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000113248395 274374597 /nfs/dbraw/zinc/37/45/97/274374597.db2.gz LBKNFKFJOIIASF-CHWSQXEVSA-N 1 1 312.373 2.816 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](F)C[C@H]3CO)o2)c1 ZINC000344825044 428710822 /nfs/dbraw/zinc/71/08/22/428710822.db2.gz JKIBPZNMRPWQMF-OCCSQVGLSA-N 1 1 320.320 2.760 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H](F)C[C@H]3CO)o2)c1 ZINC000344825044 428710830 /nfs/dbraw/zinc/71/08/30/428710830.db2.gz JKIBPZNMRPWQMF-OCCSQVGLSA-N 1 1 320.320 2.760 20 5 DFBDMO Cc1[nH+]ccn1-c1cncc(NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000362358320 428716014 /nfs/dbraw/zinc/71/60/14/428716014.db2.gz KUJKLFQYGXFWDW-UHFFFAOYSA-N 1 1 324.344 2.534 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000374362424 428677795 /nfs/dbraw/zinc/67/77/95/428677795.db2.gz OYUGLTRWQSLIIF-CQSZACIVSA-N 1 1 320.389 2.852 20 5 DFBDMO Cc1[nH+]c(CNc2ncc([N+](=O)[O-])cc2C)c2n1CCCC2 ZINC000374502708 428689567 /nfs/dbraw/zinc/68/95/67/428689567.db2.gz GNJSPRFPMZBOBM-UHFFFAOYSA-N 1 1 301.350 2.752 20 5 DFBDMO CC1=C(c2ccco2)C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000374512012 428690479 /nfs/dbraw/zinc/69/04/79/428690479.db2.gz FEUZKRVNHLMRKV-UHFFFAOYSA-N 1 1 302.334 2.601 20 5 DFBDMO CC1=C(c2ccco2)C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000374512012 428690486 /nfs/dbraw/zinc/69/04/86/428690486.db2.gz FEUZKRVNHLMRKV-UHFFFAOYSA-N 1 1 302.334 2.601 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000353749737 428692507 /nfs/dbraw/zinc/69/25/07/428692507.db2.gz MEFUYUZUBQZMKY-GOSISDBHSA-N 1 1 314.385 2.939 20 5 DFBDMO CO[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000353864032 428753450 /nfs/dbraw/zinc/75/34/50/428753450.db2.gz IEXZLBANGRXWGL-CQSZACIVSA-N 1 1 319.386 2.939 20 5 DFBDMO CO[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000353864032 428753456 /nfs/dbraw/zinc/75/34/56/428753456.db2.gz IEXZLBANGRXWGL-CQSZACIVSA-N 1 1 319.386 2.939 20 5 DFBDMO CCOc1cc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000345170554 428781242 /nfs/dbraw/zinc/78/12/42/428781242.db2.gz ILKVTFDQILJLAK-STQMWFEESA-N 1 1 307.394 2.912 20 5 DFBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000362526948 428787030 /nfs/dbraw/zinc/78/70/30/428787030.db2.gz WXVUUUQKXGYZOZ-AORWBKJGSA-N 1 1 319.405 2.843 20 5 DFBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000362526948 428787034 /nfs/dbraw/zinc/78/70/34/428787034.db2.gz WXVUUUQKXGYZOZ-AORWBKJGSA-N 1 1 319.405 2.843 20 5 DFBDMO C[C@H]1C[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000362431041 428739671 /nfs/dbraw/zinc/73/96/71/428739671.db2.gz QMDGVZXSDDRKFN-UWVGGRQHSA-N 1 1 311.769 2.775 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000358955984 428746873 /nfs/dbraw/zinc/74/68/73/428746873.db2.gz RTXGSOQNKLRDIP-FRRDWIJNSA-N 1 1 323.441 2.898 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362453980 428750198 /nfs/dbraw/zinc/75/01/98/428750198.db2.gz YEWMBXWKKSJQAK-GRYCIOLGSA-N 1 1 321.377 2.518 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362453902 428751428 /nfs/dbraw/zinc/75/14/28/428751428.db2.gz XXJXCYRYSHTLRH-SWLSCSKDSA-N 1 1 306.362 2.604 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000375048405 428797613 /nfs/dbraw/zinc/79/76/13/428797613.db2.gz ICULCMNRWRVIAE-SJCJKPOMSA-N 1 1 312.373 2.673 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)cc1[N+](=O)[O-] ZINC000353985977 428803956 /nfs/dbraw/zinc/80/39/56/428803956.db2.gz FWSNCWMSLWVWJE-HNNXBMFYSA-N 1 1 313.357 2.952 20 5 DFBDMO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362861641 428809308 /nfs/dbraw/zinc/80/93/08/428809308.db2.gz OKIKMXMCNXNXJE-CQSZACIVSA-N 1 1 300.362 2.974 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000375227028 428826301 /nfs/dbraw/zinc/82/63/01/428826301.db2.gz DNQXLTJZRGGHIJ-IAQYHMDHSA-N 1 1 309.797 2.774 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)ccc1[N+](=O)[O-] ZINC000375282044 428843429 /nfs/dbraw/zinc/84/34/29/428843429.db2.gz XPVBAVBMDDLSAI-QGZVFWFLSA-N 1 1 320.389 2.996 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411841380 428864551 /nfs/dbraw/zinc/86/45/51/428864551.db2.gz HKHWWPCGJGNQEY-GFCCVEGCSA-N 1 1 300.362 2.838 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000411841380 428864553 /nfs/dbraw/zinc/86/45/53/428864553.db2.gz HKHWWPCGJGNQEY-GFCCVEGCSA-N 1 1 300.362 2.838 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000354112593 428867472 /nfs/dbraw/zinc/86/74/72/428867472.db2.gz ZLMZBSYGHLBQRX-JKSUJKDBSA-N 1 1 319.405 2.816 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000354112593 428867477 /nfs/dbraw/zinc/86/74/77/428867477.db2.gz ZLMZBSYGHLBQRX-JKSUJKDBSA-N 1 1 319.405 2.816 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354115067 428867871 /nfs/dbraw/zinc/86/78/71/428867871.db2.gz ADSPFYRJYZADRH-ZDUSSCGKSA-N 1 1 306.362 2.758 20 5 DFBDMO COC(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000348907229 428872897 /nfs/dbraw/zinc/87/28/97/428872897.db2.gz WRPDWNVAKRZZMJ-UHFFFAOYSA-N 1 1 318.304 2.810 20 5 DFBDMO COC(=O)c1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000348904434 428873572 /nfs/dbraw/zinc/87/35/72/428873572.db2.gz MTBJDFMCPJQKRB-UHFFFAOYSA-N 1 1 306.343 2.733 20 5 DFBDMO CCC[N@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363183329 428876649 /nfs/dbraw/zinc/87/66/49/428876649.db2.gz UCCDOXKQQPGHKU-UHFFFAOYSA-N 1 1 320.393 2.853 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375400749 428876741 /nfs/dbraw/zinc/87/67/41/428876741.db2.gz GJOFXSNPOZNDLB-ZDUSSCGKSA-N 1 1 314.345 2.845 20 5 DFBDMO C[C@@H]1C[C@H](c2cccs2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000363305200 428901468 /nfs/dbraw/zinc/90/14/68/428901468.db2.gz AFOYDKPPDFHGGO-NEPJUHHUSA-N 1 1 306.391 2.731 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219759 428923367 /nfs/dbraw/zinc/92/33/67/428923367.db2.gz DGFHYXPPBFQXQR-HUUCEWRRSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219759 428923398 /nfs/dbraw/zinc/92/33/98/428923398.db2.gz DGFHYXPPBFQXQR-HUUCEWRRSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219759 428923404 /nfs/dbraw/zinc/92/34/04/428923404.db2.gz DGFHYXPPBFQXQR-HUUCEWRRSA-N 1 1 321.421 2.778 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219757 428923762 /nfs/dbraw/zinc/92/37/62/428923762.db2.gz DGFHYXPPBFQXQR-GJZGRUSLSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219757 428923790 /nfs/dbraw/zinc/92/37/90/428923790.db2.gz DGFHYXPPBFQXQR-GJZGRUSLSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219757 428923797 /nfs/dbraw/zinc/92/37/97/428923797.db2.gz DGFHYXPPBFQXQR-GJZGRUSLSA-N 1 1 321.421 2.778 20 5 DFBDMO CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224605 428925197 /nfs/dbraw/zinc/92/51/97/428925197.db2.gz NYSVMDKJYQMKGT-WMLDXEAASA-N 1 1 305.422 2.942 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224605 428925200 /nfs/dbraw/zinc/92/52/00/428925200.db2.gz NYSVMDKJYQMKGT-WMLDXEAASA-N 1 1 305.422 2.942 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224605 428925205 /nfs/dbraw/zinc/92/52/05/428925205.db2.gz NYSVMDKJYQMKGT-WMLDXEAASA-N 1 1 305.422 2.942 20 5 DFBDMO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224605 428925212 /nfs/dbraw/zinc/92/52/12/428925212.db2.gz NYSVMDKJYQMKGT-WMLDXEAASA-N 1 1 305.422 2.942 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224605 428925215 /nfs/dbraw/zinc/92/52/15/428925215.db2.gz NYSVMDKJYQMKGT-WMLDXEAASA-N 1 1 305.422 2.942 20 5 DFBDMO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000292969721 274709270 /nfs/dbraw/zinc/70/92/70/274709270.db2.gz DNUUWFORZFCZKM-ZDUSSCGKSA-N 1 1 314.389 2.839 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412064079 428935252 /nfs/dbraw/zinc/93/52/52/428935252.db2.gz BPTZIMKCEZDVKM-KGLIPLIRSA-N 1 1 322.405 2.975 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2Cc3ccccc3C3(CCC3)C2)n1 ZINC000375690840 428942008 /nfs/dbraw/zinc/94/20/08/428942008.db2.gz RCXIADDPWGAGTI-UHFFFAOYSA-N 1 1 312.373 2.729 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000451910338 429016831 /nfs/dbraw/zinc/01/68/31/429016831.db2.gz MYUCDGQYZGLACY-QGZVFWFLSA-N 1 1 320.389 2.996 20 5 DFBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421755407 429027443 /nfs/dbraw/zinc/02/74/43/429027443.db2.gz GGFQRCULUXXVPZ-CQSZACIVSA-N 1 1 319.405 2.673 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000451966807 429027669 /nfs/dbraw/zinc/02/76/69/429027669.db2.gz GEKROFSWXFYJTA-HNNXBMFYSA-N 1 1 322.315 2.907 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000451966807 429027674 /nfs/dbraw/zinc/02/76/74/429027674.db2.gz GEKROFSWXFYJTA-HNNXBMFYSA-N 1 1 322.315 2.907 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421768406 429031289 /nfs/dbraw/zinc/03/12/89/429031289.db2.gz NYHXFYVXMBDKQP-CQSZACIVSA-N 1 1 319.405 2.816 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH+]ccn3C2)c2ncccc12 ZINC000375795901 428975978 /nfs/dbraw/zinc/97/59/78/428975978.db2.gz NIZMWCSGRUISOP-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO Cc1cccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000375798207 428979476 /nfs/dbraw/zinc/97/94/76/428979476.db2.gz WEVODSQJDGNKAQ-UONOGXRCSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000375798529 428979895 /nfs/dbraw/zinc/97/98/95/428979895.db2.gz XQUYRSYNHZULTF-OAHLLOKOSA-N 1 1 315.377 2.640 20 5 DFBDMO Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000375798529 428979899 /nfs/dbraw/zinc/97/98/99/428979899.db2.gz XQUYRSYNHZULTF-OAHLLOKOSA-N 1 1 315.377 2.640 20 5 DFBDMO Cc1[nH+]ccn1-c1cccc(NCCc2ccccc2[N+](=O)[O-])n1 ZINC000363723779 428980674 /nfs/dbraw/zinc/98/06/74/428980674.db2.gz QBLRZXMIYSHKKQ-UHFFFAOYSA-N 1 1 323.356 3.139 20 5 DFBDMO COc1ccc(CN2CCC[C@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000375809586 428982923 /nfs/dbraw/zinc/98/29/23/428982923.db2.gz FHAXYVBITQTYMO-GJZGRUSLSA-N 1 1 319.405 2.662 20 5 DFBDMO COc1cc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451839714 428993906 /nfs/dbraw/zinc/99/39/06/428993906.db2.gz DITIERVJGIPGIG-CVEARBPZSA-N 1 1 320.389 2.993 20 5 DFBDMO CCc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349546285 429002421 /nfs/dbraw/zinc/00/24/21/429002421.db2.gz NNHAHUBDNNVRKL-UHFFFAOYSA-N 1 1 307.394 2.617 20 5 DFBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433195502 429010160 /nfs/dbraw/zinc/01/01/60/429010160.db2.gz VWMMWROLOHERBI-OAHLLOKOSA-N 1 1 310.419 2.939 20 5 DFBDMO C[C@H]1CCC(C)(C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000452006921 429037423 /nfs/dbraw/zinc/03/74/23/429037423.db2.gz MNKUMXWSOMXGOL-LBPRGKRZSA-N 1 1 305.378 2.821 20 5 DFBDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000452086099 429054092 /nfs/dbraw/zinc/05/40/92/429054092.db2.gz WYFHEGPLPAJSFS-ZDUSSCGKSA-N 1 1 307.394 2.515 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376107795 429058653 /nfs/dbraw/zinc/05/86/53/429058653.db2.gz XNFBPYXISVAYBK-STQMWFEESA-N 1 1 303.362 2.836 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435596534 429150471 /nfs/dbraw/zinc/15/04/71/429150471.db2.gz HYQDCAXIKCJXQO-ZDUSSCGKSA-N 1 1 307.398 2.537 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000363992134 429152214 /nfs/dbraw/zinc/15/22/14/429152214.db2.gz IQNIHNCAPQXBHN-HNNXBMFYSA-N 1 1 314.389 2.926 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000363992135 429153483 /nfs/dbraw/zinc/15/34/83/429153483.db2.gz IQNIHNCAPQXBHN-OAHLLOKOSA-N 1 1 314.389 2.926 20 5 DFBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(CC)CC ZINC000434985281 429118965 /nfs/dbraw/zinc/11/89/65/429118965.db2.gz HQIJDZXCWAQUNY-UONOGXRCSA-N 1 1 324.425 2.744 20 5 DFBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(CC)CC ZINC000434985281 429118968 /nfs/dbraw/zinc/11/89/68/429118968.db2.gz HQIJDZXCWAQUNY-UONOGXRCSA-N 1 1 324.425 2.744 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000413028529 429125466 /nfs/dbraw/zinc/12/54/66/429125466.db2.gz PLMSIBRQIDUVJU-CYBMUJFWSA-N 1 1 320.324 2.971 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363874802 429131523 /nfs/dbraw/zinc/13/15/23/429131523.db2.gz JFQPAJQPVHCYEJ-NJAFHUGGSA-N 1 1 315.417 2.819 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000376578595 429140956 /nfs/dbraw/zinc/14/09/56/429140956.db2.gz CCNUIJSQZZHFEX-OLZOCXBDSA-N 1 1 323.418 2.745 20 5 DFBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@H+](C2CC2)CC1 ZINC000365025582 275034479 /nfs/dbraw/zinc/03/44/79/275034479.db2.gz HXVKOZUMWCXZKM-UHFFFAOYSA-N 1 1 312.373 2.818 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000319354740 275035206 /nfs/dbraw/zinc/03/52/06/275035206.db2.gz WECMEXDHRFHEBV-ZACQAIPSSA-N 1 1 304.390 2.763 20 5 DFBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c(F)c1 ZINC000301378665 275037026 /nfs/dbraw/zinc/03/70/26/275037026.db2.gz XKVQZUDXRGIBKB-LNSITVRQSA-N 1 1 305.353 2.654 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000364020402 429159318 /nfs/dbraw/zinc/15/93/18/429159318.db2.gz PVFFTWUONCPFPD-JKSUJKDBSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000364321096 429181962 /nfs/dbraw/zinc/18/19/62/429181962.db2.gz BEGPMMWXVNEBDH-INIZCTEOSA-N 1 1 320.389 2.521 20 5 DFBDMO Cc1cc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000364333788 429184296 /nfs/dbraw/zinc/18/42/96/429184296.db2.gz CYARUBQTILWJHX-GFCCVEGCSA-N 1 1 306.391 2.651 20 5 DFBDMO CC[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000495227759 429190714 /nfs/dbraw/zinc/19/07/14/429190714.db2.gz YVYALKBHIFPLRB-INIZCTEOSA-N 1 1 308.378 2.729 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488762574 429197181 /nfs/dbraw/zinc/19/71/81/429197181.db2.gz DJYUIFNSMMJMDN-QWHCGFSZSA-N 1 1 308.378 2.585 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c2ccncc21 ZINC000489895804 429266083 /nfs/dbraw/zinc/26/60/83/429266083.db2.gz HSZPIQVTKDOBPJ-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c(OC(F)F)c1 ZINC000489892985 429266354 /nfs/dbraw/zinc/26/63/54/429266354.db2.gz WXXCORJWZRMGCH-VIFPVBQESA-N 1 1 324.287 2.820 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425356001 429276584 /nfs/dbraw/zinc/27/65/84/429276584.db2.gz NAVLBZHKDWKHRT-GMMCIKNFSA-N 1 1 313.361 2.606 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1(C)CCCC1 ZINC000490121559 429278406 /nfs/dbraw/zinc/27/84/06/429278406.db2.gz WZNNFCZCASFDLF-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000365437302 429319564 /nfs/dbraw/zinc/31/95/64/429319564.db2.gz LXMSPKOYASBMPM-OLZOCXBDSA-N 1 1 323.780 2.605 20 5 DFBDMO CCN1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449104235 429333419 /nfs/dbraw/zinc/33/34/19/429333419.db2.gz FHBHCMWKBNFGHD-HUUCEWRRSA-N 1 1 305.422 2.847 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC[N@H+](C)C1CCCC1 ZINC000449130302 429340242 /nfs/dbraw/zinc/34/02/42/429340242.db2.gz YHYNREACNBSUQS-CQSZACIVSA-N 1 1 305.422 2.990 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC[N@@H+](C)C1CCCC1 ZINC000449130302 429340248 /nfs/dbraw/zinc/34/02/48/429340248.db2.gz YHYNREACNBSUQS-CQSZACIVSA-N 1 1 305.422 2.990 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425496246 429310492 /nfs/dbraw/zinc/31/04/92/429310492.db2.gz AGRALQIGXMZFOT-WFASDCNBSA-N 1 1 301.350 2.584 20 5 DFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000426455661 429392331 /nfs/dbraw/zinc/39/23/31/429392331.db2.gz BODRYQZNXRPRCD-INIZCTEOSA-N 1 1 308.378 2.588 20 5 DFBDMO COCCC[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365887719 429395884 /nfs/dbraw/zinc/39/58/84/429395884.db2.gz YMDUBTUKWJBJMA-UHFFFAOYSA-N 1 1 305.378 2.611 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000426223864 429374056 /nfs/dbraw/zinc/37/40/56/429374056.db2.gz FELQQJATLARSIK-UHFFFAOYSA-N 1 1 322.405 2.991 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccnc(Cl)c3)CC2)n1 ZINC000365817616 429379537 /nfs/dbraw/zinc/37/95/37/429379537.db2.gz BYOLBSWPBOIZKG-UHFFFAOYSA-N 1 1 321.768 2.677 20 5 DFBDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365852582 429387487 /nfs/dbraw/zinc/38/74/87/429387487.db2.gz AGYJNASOZVPPTD-GDBMZVCRSA-N 1 1 314.389 2.978 20 5 DFBDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365852585 429387747 /nfs/dbraw/zinc/38/77/47/429387747.db2.gz AGYJNASOZVPPTD-ZBFHGGJFSA-N 1 1 314.389 2.978 20 5 DFBDMO CN(C)c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000492087964 429465165 /nfs/dbraw/zinc/46/51/65/429465165.db2.gz SDRBNZMATTYPAX-VMPITWQZSA-N 1 1 312.329 2.708 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000449498424 429435272 /nfs/dbraw/zinc/43/52/72/429435272.db2.gz LHXRHKWGZMGJIJ-SWLSCSKDSA-N 1 1 308.378 2.850 20 5 DFBDMO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366784137 429514600 /nfs/dbraw/zinc/51/46/00/429514600.db2.gz DDKGMAUVVHKVNC-CPUCHLNUSA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366784137 429514604 /nfs/dbraw/zinc/51/46/04/429514604.db2.gz DDKGMAUVVHKVNC-CPUCHLNUSA-N 1 1 320.389 2.753 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000367037250 429563520 /nfs/dbraw/zinc/56/35/20/429563520.db2.gz KNXWSBYROBUCNT-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000429020045 429572725 /nfs/dbraw/zinc/57/27/25/429572725.db2.gz MJFURHUNIDYGHL-OAHLLOKOSA-N 1 1 309.797 2.776 20 5 DFBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000429558350 429615717 /nfs/dbraw/zinc/61/57/17/429615717.db2.gz FCJMJAJFVHZQMV-TZMCWYRMSA-N 1 1 317.389 2.604 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429575044 429618472 /nfs/dbraw/zinc/61/84/72/429618472.db2.gz CDWGGGZDBAIVGM-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@H]1CC[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429594132 429620009 /nfs/dbraw/zinc/62/00/09/429620009.db2.gz XEPLVXSUARFNLC-WFASDCNBSA-N 1 1 305.378 2.678 20 5 DFBDMO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)OCC ZINC000429714718 429627128 /nfs/dbraw/zinc/62/71/28/429627128.db2.gz HDYWAHOGDOEMQY-ZDUSSCGKSA-N 1 1 308.378 2.801 20 5 DFBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)OCC ZINC000429714718 429627131 /nfs/dbraw/zinc/62/71/31/429627131.db2.gz HDYWAHOGDOEMQY-ZDUSSCGKSA-N 1 1 308.378 2.801 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)nc1 ZINC000524684992 429631219 /nfs/dbraw/zinc/63/12/19/429631219.db2.gz PVYSSYOHPACSKS-HNNXBMFYSA-N 1 1 318.421 3.446 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000367453061 429649443 /nfs/dbraw/zinc/64/94/43/429649443.db2.gz XVTKNTRRDCDLHE-HUUCEWRRSA-N 1 1 306.362 2.747 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429382407 429605551 /nfs/dbraw/zinc/60/55/51/429605551.db2.gz SXRXYLKMOZHTBR-GJZGRUSLSA-N 1 1 306.362 2.614 20 5 DFBDMO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000429396924 429605958 /nfs/dbraw/zinc/60/59/58/429605958.db2.gz XTWSOKOGWXWBHL-GFCCVEGCSA-N 1 1 309.435 2.963 20 5 DFBDMO CCOc1cc(C[N@@H+](CCCCO)C2CC2)ccc1[N+](=O)[O-] ZINC000492766630 429610542 /nfs/dbraw/zinc/61/05/42/429610542.db2.gz GEZQTHIAMFRYEX-UHFFFAOYSA-N 1 1 308.378 2.730 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000430219001 429662896 /nfs/dbraw/zinc/66/28/96/429662896.db2.gz KGABKFAAFDBDBL-INIZCTEOSA-N 1 1 320.389 2.994 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246426 429668191 /nfs/dbraw/zinc/66/81/91/429668191.db2.gz WFLXIXZTSGQGMR-AWEZNQCLSA-N 1 1 321.421 2.767 20 5 DFBDMO CC(C)c1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000179548255 276052963 /nfs/dbraw/zinc/05/29/63/276052963.db2.gz IGKWUEQAUSEYPP-OAHLLOKOSA-N 1 1 303.406 2.998 20 5 DFBDMO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182584396 276089193 /nfs/dbraw/zinc/08/91/93/276089193.db2.gz FTZLYLBKKUEVET-ZDUSSCGKSA-N 1 1 307.394 2.764 20 5 DFBDMO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182584396 276089194 /nfs/dbraw/zinc/08/91/94/276089194.db2.gz FTZLYLBKKUEVET-ZDUSSCGKSA-N 1 1 307.394 2.764 20 5 DFBDMO CCOCCO[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000269722142 276327047 /nfs/dbraw/zinc/32/70/47/276327047.db2.gz VKXCLUYWOMUXOM-KGLIPLIRSA-N 1 1 308.378 2.783 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1c[nH+]c2n1CCCC2 ZINC000367825350 429723754 /nfs/dbraw/zinc/72/37/54/429723754.db2.gz JWNVWWVTZSSAMR-UHFFFAOYSA-N 1 1 314.345 2.942 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000367842201 429727123 /nfs/dbraw/zinc/72/71/23/429727123.db2.gz MPAOCZZVLPWGAL-JTQLQIEISA-N 1 1 306.753 2.976 20 5 DFBDMO CCN1CC[NH+](CC(C)(C)Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000450921189 429730887 /nfs/dbraw/zinc/73/08/87/429730887.db2.gz FIPPSIIRZNGBTK-UHFFFAOYSA-N 1 1 324.400 2.562 20 5 DFBDMO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@H+]1C ZINC000487081878 429764235 /nfs/dbraw/zinc/76/42/35/429764235.db2.gz AIMBHOJTJRAFMM-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000451088432 429765756 /nfs/dbraw/zinc/76/57/56/429765756.db2.gz YJTHQPSPZNNNKO-GFCCVEGCSA-N 1 1 307.369 2.650 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368081342 429783346 /nfs/dbraw/zinc/78/33/46/429783346.db2.gz LWTAXSIGJRVBDM-YRGRVCCFSA-N 1 1 303.362 2.796 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368081342 429783349 /nfs/dbraw/zinc/78/33/49/429783349.db2.gz LWTAXSIGJRVBDM-YRGRVCCFSA-N 1 1 303.362 2.796 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000368236270 429815551 /nfs/dbraw/zinc/81/55/51/429815551.db2.gz SSSXMNJFVWIOSB-RCBQFDQVSA-N 1 1 317.389 2.522 20 5 DFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432349294 429816226 /nfs/dbraw/zinc/81/62/26/429816226.db2.gz UYOBXDDXENUDDK-RYUDHWBXSA-N 1 1 300.362 2.672 20 5 DFBDMO Cc1ccc(NCCC[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000432844662 429844776 /nfs/dbraw/zinc/84/47/76/429844776.db2.gz FNKCJGXOUNDEPA-CQSZACIVSA-N 1 1 307.394 2.816 20 5 DFBDMO Nc1ncccc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550060 429851860 /nfs/dbraw/zinc/85/18/60/429851860.db2.gz QRPONHYSPZTRJR-AWEZNQCLSA-N 1 1 312.373 2.952 20 5 DFBDMO Cn1nccc1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553670 429853815 /nfs/dbraw/zinc/85/38/15/429853815.db2.gz YMUVQSXOWPTJMJ-HNNXBMFYSA-N 1 1 314.389 2.750 20 5 DFBDMO CC(C)N(C)C(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451560869 429855438 /nfs/dbraw/zinc/85/54/38/429855438.db2.gz IJYFKXABJLFRNR-HNNXBMFYSA-N 1 1 319.405 2.641 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000368640929 429881964 /nfs/dbraw/zinc/88/19/64/429881964.db2.gz FWVSTZFZFFEELO-JTQLQIEISA-N 1 1 306.753 2.976 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451743295 429881947 /nfs/dbraw/zinc/88/19/47/429881947.db2.gz TWJNAUMGEAGZOA-AWEZNQCLSA-N 1 1 307.394 2.520 20 5 DFBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000368670615 429885115 /nfs/dbraw/zinc/88/51/15/429885115.db2.gz FGHMPIMFPISTHR-SJORKVTESA-N 1 1 317.389 2.570 20 5 DFBDMO Cc1sc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000368690731 429887460 /nfs/dbraw/zinc/88/74/60/429887460.db2.gz XFJYEJAYUPMGBG-NWDGAFQWSA-N 1 1 323.418 2.664 20 5 DFBDMO Cc1ccc(CC[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369012986 429907341 /nfs/dbraw/zinc/90/73/41/429907341.db2.gz XGZMUGALAOMUPS-INIZCTEOSA-N 1 1 314.389 2.979 20 5 DFBDMO CC(=O)c1cc(NC[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000557520626 429943016 /nfs/dbraw/zinc/94/30/16/429943016.db2.gz BLGOBBJIXQPYEL-GFCCVEGCSA-N 1 1 303.362 2.694 20 5 DFBDMO C[NH+](C)Cc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000560379360 430037108 /nfs/dbraw/zinc/03/71/08/430037108.db2.gz GHCHOAXMZZKIHW-UHFFFAOYSA-N 1 1 315.329 2.614 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(F)c1 ZINC000562307485 430119002 /nfs/dbraw/zinc/11/90/02/430119002.db2.gz MYURJTJHLDKDDE-JKSUJKDBSA-N 1 1 323.368 2.789 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000530542728 430119682 /nfs/dbraw/zinc/11/96/82/430119682.db2.gz CARZPCBKSTVFGC-CYBMUJFWSA-N 1 1 314.389 3.285 20 5 DFBDMO CC(=O)c1ccc(N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000321671143 277112017 /nfs/dbraw/zinc/11/20/17/277112017.db2.gz HTGRNOCECFLEEV-DOMZBBRYSA-N 1 1 317.389 2.860 20 5 DFBDMO CC(=O)c1ccc(N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000321671143 277112019 /nfs/dbraw/zinc/11/20/19/277112019.db2.gz HTGRNOCECFLEEV-DOMZBBRYSA-N 1 1 317.389 2.860 20 5 DFBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000192513621 277173610 /nfs/dbraw/zinc/17/36/10/277173610.db2.gz GRLQAWZVRYABQD-AAEUAGOBSA-N 1 1 304.375 2.909 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1O ZINC000542318784 430208812 /nfs/dbraw/zinc/20/88/12/430208812.db2.gz ZXVPUSVUMZVLHD-UHFFFAOYSA-N 1 1 316.357 2.854 20 5 DFBDMO COC(=O)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000064558862 277317012 /nfs/dbraw/zinc/31/70/12/277317012.db2.gz BNBLBSVDCTWFNO-UHFFFAOYSA-N 1 1 308.378 2.658 20 5 DFBDMO C[C@H]([N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000544060816 430272500 /nfs/dbraw/zinc/27/25/00/430272500.db2.gz AHTBUTVZHAIHED-QWHCGFSZSA-N 1 1 310.394 2.701 20 5 DFBDMO CCC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544529325 430284335 /nfs/dbraw/zinc/28/43/35/430284335.db2.gz LUVLMUOTKZSWBW-GDBMZVCRSA-N 1 1 322.405 2.989 20 5 DFBDMO COc1cc(C[N@@H+](C)CC(C)(C)OC)c([N+](=O)[O-])cc1F ZINC000545223080 430307792 /nfs/dbraw/zinc/30/77/92/430307792.db2.gz FSVBYRXKIUYTFL-UHFFFAOYSA-N 1 1 300.330 2.599 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(CCOCC2)CC1 ZINC000546690209 430364320 /nfs/dbraw/zinc/36/43/20/430364320.db2.gz FKXGARUNLQALIH-AWEZNQCLSA-N 1 1 320.389 2.927 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2NC1CC[NH+](C2CC2)CC1 ZINC000583390804 430391404 /nfs/dbraw/zinc/39/14/04/430391404.db2.gz BEIDOYWOKQXEIH-MRXNPFEDSA-N 1 1 301.390 2.799 20 5 DFBDMO O=[N+]([O-])c1ccc2c(ccnc2NCc2c[nH+]c3n2CCCC3)c1 ZINC000569189162 430430298 /nfs/dbraw/zinc/43/02/98/430430298.db2.gz OHESFCWMPQRNPR-UHFFFAOYSA-N 1 1 323.356 3.288 20 5 DFBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000548520011 430483998 /nfs/dbraw/zinc/48/39/98/430483998.db2.gz CTDDKTZOHQLVIC-LLVKDONJSA-N 1 1 311.407 2.603 20 5 DFBDMO CC(C)c1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000555340488 430665666 /nfs/dbraw/zinc/66/56/66/430665666.db2.gz GFFPQHLYNATEQT-ZDUSSCGKSA-N 1 1 319.405 2.790 20 5 DFBDMO COC(=O)c1cc(N[C@H](C)C[N@@H+](C)C(C)C)cc(C)c1[N+](=O)[O-] ZINC000572537603 430690512 /nfs/dbraw/zinc/69/05/12/430690512.db2.gz ZURBLJCUPBHMOO-GFCCVEGCSA-N 1 1 323.393 2.830 20 5 DFBDMO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201131 279185589 /nfs/dbraw/zinc/18/55/89/279185589.db2.gz FWJWMGPPYDXWOC-HZSPNIEDSA-N 1 1 319.405 2.815 20 5 DFBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCC(C)CC1 ZINC000271610529 279499396 /nfs/dbraw/zinc/49/93/96/279499396.db2.gz KKQQZOZOGNVKPL-KBPBESRZSA-N 1 1 319.405 2.892 20 5 DFBDMO Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262125976 280577714 /nfs/dbraw/zinc/57/77/14/280577714.db2.gz KZJUXYNFQFNFPC-RYUDHWBXSA-N 1 1 300.362 2.625 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000365894395 281186110 /nfs/dbraw/zinc/18/61/10/281186110.db2.gz SFWJOVLGUVTYNF-UONOGXRCSA-N 1 1 304.394 2.751 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000267298755 281195881 /nfs/dbraw/zinc/19/58/81/281195881.db2.gz UCZVXNOGXONZJD-WDEREUQCSA-N 1 1 310.785 2.706 20 5 DFBDMO Cc1cccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000364099501 281230516 /nfs/dbraw/zinc/23/05/16/281230516.db2.gz VCQPVKOTPPOLMY-ZNMIVQPWSA-N 1 1 301.390 2.824 20 5 DFBDMO CC(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438485748 297094561 /nfs/dbraw/zinc/09/45/61/297094561.db2.gz FHDISPXMSDIVFV-QWHCGFSZSA-N 1 1 305.378 2.900 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000438490344 297095238 /nfs/dbraw/zinc/09/52/38/297095238.db2.gz OWAVRXQROYEIHU-ZDUSSCGKSA-N 1 1 305.378 2.820 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441212232 297176082 /nfs/dbraw/zinc/17/60/82/297176082.db2.gz UAFIXACBUWRACC-OLZOCXBDSA-N 1 1 308.353 2.982 20 5 DFBDMO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000496539872 300077252 /nfs/dbraw/zinc/07/72/52/300077252.db2.gz NGTHQXDKKWZQJC-HNNXBMFYSA-N 1 1 321.377 2.695 20 5 DFBDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000496539872 300077255 /nfs/dbraw/zinc/07/72/55/300077255.db2.gz NGTHQXDKKWZQJC-HNNXBMFYSA-N 1 1 321.377 2.695 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000515643226 300316236 /nfs/dbraw/zinc/31/62/36/300316236.db2.gz GZNHUDCOPPAAES-LSDHHAIUSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@H]1C ZINC000532585029 301161376 /nfs/dbraw/zinc/16/13/76/301161376.db2.gz RIVWMNHVUPILAL-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000534342370 301230285 /nfs/dbraw/zinc/23/02/85/301230285.db2.gz MDURQBIJMGQYKJ-NEPJUHHUSA-N 1 1 300.362 2.672 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535316064 301253155 /nfs/dbraw/zinc/25/31/55/301253155.db2.gz SXLJJZRLJNCXLN-TZMCWYRMSA-N 1 1 300.362 2.879 20 5 DFBDMO Cc1ccc(NC(=O)Cn2c[nH+]c3c2CCCC3)cc1[N+](=O)[O-] ZINC000540882201 301372036 /nfs/dbraw/zinc/37/20/36/301372036.db2.gz KDWZHHOQJPBKTD-UHFFFAOYSA-N 1 1 314.345 2.617 20 5 DFBDMO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000564039819 302114931 /nfs/dbraw/zinc/11/49/31/302114931.db2.gz MMWSTWZPTJDBGB-ZDUSSCGKSA-N 1 1 302.378 2.700 20 5 DFBDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000564039819 302114933 /nfs/dbraw/zinc/11/49/33/302114933.db2.gz MMWSTWZPTJDBGB-ZDUSSCGKSA-N 1 1 302.378 2.700 20 5 DFBDMO CCCC[C@H](C)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565510919 302228301 /nfs/dbraw/zinc/22/83/01/302228301.db2.gz WOVSPJCWNDHXAK-ZFWWWQNUSA-N 1 1 310.394 2.845 20 5 DFBDMO CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565510916 302228387 /nfs/dbraw/zinc/22/83/87/302228387.db2.gz WOVSPJCWNDHXAK-UKRRQHHQSA-N 1 1 310.394 2.845 20 5 DFBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000566741634 302308744 /nfs/dbraw/zinc/30/87/44/302308744.db2.gz GLHOMXMUZFVFHX-LBPRGKRZSA-N 1 1 314.345 2.609 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000566908604 302321528 /nfs/dbraw/zinc/32/15/28/302321528.db2.gz YSQSKLUICVZTGZ-CQSZACIVSA-N 1 1 319.405 2.672 20 5 DFBDMO Cc1cccc(CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000566972419 302326511 /nfs/dbraw/zinc/32/65/11/302326511.db2.gz ZCKFIHVMJDZOIE-UHFFFAOYSA-N 1 1 313.357 2.735 20 5 DFBDMO Cc1cccc(CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000566972419 302326513 /nfs/dbraw/zinc/32/65/13/302326513.db2.gz ZCKFIHVMJDZOIE-UHFFFAOYSA-N 1 1 313.357 2.735 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449673030 317051955 /nfs/dbraw/zinc/05/19/55/317051955.db2.gz NSZKKWHCEWZOQT-WCQYABFASA-N 1 1 318.295 2.648 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000450220203 317070878 /nfs/dbraw/zinc/07/08/78/317070878.db2.gz XWNMISQBPIZONA-CYBMUJFWSA-N 1 1 321.377 2.586 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000488043620 317363504 /nfs/dbraw/zinc/36/35/04/317363504.db2.gz QWDGZPDEQKKLIH-MRXNPFEDSA-N 1 1 321.421 2.766 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000573535547 318020122 /nfs/dbraw/zinc/02/01/22/318020122.db2.gz NYBAECJEMZIMQP-KRWDZBQOSA-N 1 1 312.373 2.675 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578844004 318288525 /nfs/dbraw/zinc/28/85/25/318288525.db2.gz GJPBUHLEQZICMV-DGCLKSJQSA-N 1 1 315.377 2.534 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578844003 318288764 /nfs/dbraw/zinc/28/87/64/318288764.db2.gz GJPBUHLEQZICMV-AAEUAGOBSA-N 1 1 315.377 2.534 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295620753 534093451 /nfs/dbraw/zinc/09/34/51/534093451.db2.gz OJYSWVAOCLKESH-SWLSCSKDSA-N 1 1 321.377 2.818 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295620753 534093457 /nfs/dbraw/zinc/09/34/57/534093457.db2.gz OJYSWVAOCLKESH-SWLSCSKDSA-N 1 1 321.377 2.818 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@@H+](C)C(C)C)c1 ZINC000318624677 534245339 /nfs/dbraw/zinc/24/53/39/534245339.db2.gz LTIFKXUGYQPQFN-UHFFFAOYSA-N 1 1 309.366 2.524 20 5 DFBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+](C2CCC2)C1 ZINC000292415683 534423541 /nfs/dbraw/zinc/42/35/41/534423541.db2.gz POKGQTMXGZAVOW-NSHDSACASA-N 1 1 323.418 2.603 20 5 DFBDMO CCOc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)ccc1[N+](=O)[O-] ZINC000365057263 520702916 /nfs/dbraw/zinc/70/29/16/520702916.db2.gz VAHUPBJCKZERRW-VMZNBEPHSA-N 1 1 320.389 2.586 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)C1CCCCC1)CC2 ZINC000332585206 534883622 /nfs/dbraw/zinc/88/36/22/534883622.db2.gz HIAJZFZQVVBHMN-QGZVFWFLSA-N 1 1 304.390 2.894 20 5 DFBDMO O=[N+]([O-])c1ccc(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000366012821 527376539 /nfs/dbraw/zinc/37/65/39/527376539.db2.gz VMZBYTIIJNQXLR-TXEJJXNPSA-N 1 1 312.366 2.689 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330938388 527749991 /nfs/dbraw/zinc/74/99/91/527749991.db2.gz BRDWTOXQMAUUBZ-SWLSCSKDSA-N 1 1 320.393 2.931 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000295637376 528265526 /nfs/dbraw/zinc/26/55/26/528265526.db2.gz CFZDSHDZSDKTRS-CQSZACIVSA-N 1 1 322.405 2.976 20 5 DFBDMO CCOc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000301983387 528309744 /nfs/dbraw/zinc/30/97/44/528309744.db2.gz RMUKOGNCSDJZCB-UKRRQHHQSA-N 1 1 319.405 2.914 20 5 DFBDMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331745853 529253996 /nfs/dbraw/zinc/25/39/96/529253996.db2.gz YPYDHVCGYUZPHY-JSGCOSHPSA-N 1 1 317.389 2.747 20 5 DFBDMO CC[C@H]1CCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355597331 536071326 /nfs/dbraw/zinc/07/13/26/536071326.db2.gz DWMDDPYLTUIKQJ-ZDUSSCGKSA-N 1 1 322.361 2.521 20 5 DFBDMO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245408087 536164970 /nfs/dbraw/zinc/16/49/70/536164970.db2.gz FOGLGIRAMLIDPZ-IUODEOHRSA-N 1 1 319.405 2.569 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246848423 536379334 /nfs/dbraw/zinc/37/93/34/536379334.db2.gz CMZAOAWIHNSBIY-IUODEOHRSA-N 1 1 318.377 2.543 20 5 DFBDMO COC(=O)[C@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000355331354 536609974 /nfs/dbraw/zinc/60/99/74/536609974.db2.gz YXAQMHIJWZNZPF-SNVBAGLBSA-N 1 1 310.325 2.507 20 5 DFBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000355331354 536609978 /nfs/dbraw/zinc/60/99/78/536609978.db2.gz YXAQMHIJWZNZPF-SNVBAGLBSA-N 1 1 310.325 2.507 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278427403 214144541 /nfs/dbraw/zinc/14/45/41/214144541.db2.gz PEVGWFMNJNVZJE-UHFFFAOYSA-N 1 1 318.299 2.539 20 5 DFBDMO CCc1ncc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000278607462 214271236 /nfs/dbraw/zinc/27/12/36/214271236.db2.gz GEVJJTKAOKDPJB-UHFFFAOYSA-N 1 1 317.374 2.780 20 5 DFBDMO C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000596189175 398352184 /nfs/dbraw/zinc/35/21/84/398352184.db2.gz GMOLRLRIZKEHLW-RYUDHWBXSA-N 1 1 320.393 2.760 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007811858 398366194 /nfs/dbraw/zinc/36/61/94/398366194.db2.gz DZUWETDEGPABMH-VXGBXAGGSA-N 1 1 305.378 2.820 20 5 DFBDMO CC[N@@H+](C)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834497 185232799 /nfs/dbraw/zinc/23/27/99/185232799.db2.gz GZODKLJLJFVDDL-UHFFFAOYSA-N 1 1 302.172 2.721 20 5 DFBDMO C[N@H+]1CCC[C@]2(CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)C1 ZINC000596245441 398366057 /nfs/dbraw/zinc/36/60/57/398366057.db2.gz ZEZQEFMJAPAKRN-AWEZNQCLSA-N 1 1 310.785 2.565 20 5 DFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000596262956 398371284 /nfs/dbraw/zinc/37/12/84/398371284.db2.gz KMRKFLMYFNPCHK-RNCFNFMXSA-N 1 1 315.295 2.754 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596307712 398381652 /nfs/dbraw/zinc/38/16/52/398381652.db2.gz DBSXUTDUYUEWJR-LLVKDONJSA-N 1 1 304.394 2.848 20 5 DFBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCO1 ZINC000083173826 398384598 /nfs/dbraw/zinc/38/45/98/398384598.db2.gz HTRGRSXHXGLELT-LBPRGKRZSA-N 1 1 305.334 2.737 20 5 DFBDMO C[C@H](c1ccccc1F)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517958 185300104 /nfs/dbraw/zinc/30/01/04/185300104.db2.gz ZZPAYTDIGUXDOI-GFCCVEGCSA-N 1 1 319.336 2.589 20 5 DFBDMO C[C@H](c1ccccc1F)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517958 185300105 /nfs/dbraw/zinc/30/01/05/185300105.db2.gz ZZPAYTDIGUXDOI-GFCCVEGCSA-N 1 1 319.336 2.589 20 5 DFBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000083174576 398384801 /nfs/dbraw/zinc/38/48/01/398384801.db2.gz YZIUQMUUYXXTKV-GFCCVEGCSA-N 1 1 318.377 2.510 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H]3CO)cs2)c1 ZINC000092455585 185319473 /nfs/dbraw/zinc/31/94/73/185319473.db2.gz VKAMQKGMNOEVRH-AWEZNQCLSA-N 1 1 319.386 2.675 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H]3CO)cs2)c1 ZINC000092455585 185319474 /nfs/dbraw/zinc/31/94/74/185319474.db2.gz VKAMQKGMNOEVRH-AWEZNQCLSA-N 1 1 319.386 2.675 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H]3CO)cs2)c1 ZINC000092470700 185320755 /nfs/dbraw/zinc/32/07/55/185320755.db2.gz VKAMQKGMNOEVRH-CQSZACIVSA-N 1 1 319.386 2.675 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3CO)cs2)c1 ZINC000092470700 185320756 /nfs/dbraw/zinc/32/07/56/185320756.db2.gz VKAMQKGMNOEVRH-CQSZACIVSA-N 1 1 319.386 2.675 20 5 DFBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092733964 185337037 /nfs/dbraw/zinc/33/70/37/185337037.db2.gz QWKPJZSSRUQSAD-OAHLLOKOSA-N 1 1 319.405 2.641 20 5 DFBDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592153911 398393455 /nfs/dbraw/zinc/39/34/55/398393455.db2.gz MHIZFKRHRWBQFI-ZIAGYGMSSA-N 1 1 306.410 2.940 20 5 DFBDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592153909 398393330 /nfs/dbraw/zinc/39/33/30/398393330.db2.gz MHIZFKRHRWBQFI-KGLIPLIRSA-N 1 1 306.410 2.940 20 5 DFBDMO Cc1cccc(C2=CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000092821777 185344119 /nfs/dbraw/zinc/34/41/19/185344119.db2.gz MLOINKJQXMGETP-UHFFFAOYSA-N 1 1 312.373 2.889 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592184418 398398806 /nfs/dbraw/zinc/39/88/06/398398806.db2.gz POXICLWSKCAGOJ-CYBMUJFWSA-N 1 1 320.389 2.994 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286623883 219089553 /nfs/dbraw/zinc/08/95/53/219089553.db2.gz SDGUFMMQDBNKMY-YPMHNXCESA-N 1 1 318.295 2.588 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286623883 219089555 /nfs/dbraw/zinc/08/95/55/219089555.db2.gz SDGUFMMQDBNKMY-YPMHNXCESA-N 1 1 318.295 2.588 20 5 DFBDMO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592211000 398403193 /nfs/dbraw/zinc/40/31/93/398403193.db2.gz HMRQJHKECZGDQL-AWEZNQCLSA-N 1 1 306.366 2.543 20 5 DFBDMO CCOc1ccc(NC(=O)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000016442830 190641521 /nfs/dbraw/zinc/64/15/21/190641521.db2.gz RVINSUSMZCROKR-UHFFFAOYSA-N 1 1 321.377 2.808 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596439196 398412011 /nfs/dbraw/zinc/41/20/11/398412011.db2.gz CQFYYSGLEMWYIH-GFCCVEGCSA-N 1 1 320.393 2.837 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596435558 398411334 /nfs/dbraw/zinc/41/13/34/398411334.db2.gz AOUAQHPNGICIKJ-ZDUSSCGKSA-N 1 1 306.366 2.543 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596440593 398412737 /nfs/dbraw/zinc/41/27/37/398412737.db2.gz KIFWDOAGOVMLMC-ZDUSSCGKSA-N 1 1 306.366 2.589 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000067164333 398421504 /nfs/dbraw/zinc/42/15/04/398421504.db2.gz IVYOIHJOGUOFKG-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000592515856 398439430 /nfs/dbraw/zinc/43/94/30/398439430.db2.gz VBPRRIQTXFMYAH-IUODEOHRSA-N 1 1 320.389 2.959 20 5 DFBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088701555 398440299 /nfs/dbraw/zinc/44/02/99/398440299.db2.gz MXVJONUSYAWXPH-OAHLLOKOSA-N 1 1 320.437 2.589 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccco1 ZINC000026227525 398451150 /nfs/dbraw/zinc/45/11/50/398451150.db2.gz SIWWMNFGCVCCJR-UHFFFAOYSA-N 1 1 317.345 2.957 20 5 DFBDMO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000067735217 398453267 /nfs/dbraw/zinc/45/32/67/398453267.db2.gz UBCDVHMILJESCF-CYBMUJFWSA-N 1 1 320.393 2.755 20 5 DFBDMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000026465257 398453381 /nfs/dbraw/zinc/45/33/81/398453381.db2.gz SXKUFFCOXSYHLB-NSHDSACASA-N 1 1 309.366 2.662 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302180065 530055035 /nfs/dbraw/zinc/05/50/35/530055035.db2.gz ZBZCZYLUHNMCAO-JTQLQIEISA-N 1 1 315.320 2.950 20 5 DFBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000293033096 530059717 /nfs/dbraw/zinc/05/97/17/530059717.db2.gz RQZSVIJJRRSJSH-MRXNPFEDSA-N 1 1 307.369 2.652 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000027132817 398459853 /nfs/dbraw/zinc/45/98/53/398459853.db2.gz GSZTZNMTGSLHKY-NSHDSACASA-N 1 1 323.393 2.908 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(CC[NH+]3CCOCC3)cc2)cn1 ZINC000596637312 398467364 /nfs/dbraw/zinc/46/73/64/398467364.db2.gz SWPYRUXZXMOYNS-UHFFFAOYSA-N 1 1 313.357 2.532 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000588037826 398478027 /nfs/dbraw/zinc/47/80/27/398478027.db2.gz FVXUEYRSLCKDPB-UHFFFAOYSA-N 1 1 315.377 2.953 20 5 DFBDMO Cc1ccc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090146202 398482541 /nfs/dbraw/zinc/48/25/41/398482541.db2.gz OCOGVUULKSIQPQ-KGLIPLIRSA-N 1 1 305.378 2.568 20 5 DFBDMO Cc1ccc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090146202 398482542 /nfs/dbraw/zinc/48/25/42/398482542.db2.gz OCOGVUULKSIQPQ-KGLIPLIRSA-N 1 1 305.378 2.568 20 5 DFBDMO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000592770832 398482807 /nfs/dbraw/zinc/48/28/07/398482807.db2.gz DZTFMRUEBNXCQC-CVEARBPZSA-N 1 1 317.389 2.789 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)F)ccc1NCC[NH+]1CCSCC1 ZINC000314199180 398518522 /nfs/dbraw/zinc/51/85/22/398518522.db2.gz UJLXGKDNNNEPHD-UHFFFAOYSA-N 1 1 317.361 2.993 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000593013668 398520377 /nfs/dbraw/zinc/52/03/77/398520377.db2.gz LESBBKJBGFGUAE-QWRGUYRKSA-N 1 1 324.402 2.707 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1 ZINC000593013668 398520382 /nfs/dbraw/zinc/52/03/82/398520382.db2.gz LESBBKJBGFGUAE-QWRGUYRKSA-N 1 1 324.402 2.707 20 5 DFBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000279660693 215040042 /nfs/dbraw/zinc/04/00/42/215040042.db2.gz CNHNSDCDLIPTDT-GXTWGEPZSA-N 1 1 308.378 2.729 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000091457790 398530449 /nfs/dbraw/zinc/53/04/49/398530449.db2.gz FYFRQDMBBLPASN-CYBMUJFWSA-N 1 1 307.394 2.885 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279706888 215078416 /nfs/dbraw/zinc/07/84/16/215078416.db2.gz HPBXYQRMRFDXHQ-UONOGXRCSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279706888 215078420 /nfs/dbraw/zinc/07/84/20/215078420.db2.gz HPBXYQRMRFDXHQ-UONOGXRCSA-N 1 1 320.389 2.926 20 5 DFBDMO CCOC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000589196398 398535464 /nfs/dbraw/zinc/53/54/64/398535464.db2.gz CJPSYOMZOGSFCL-UHFFFAOYSA-N 1 1 318.329 2.963 20 5 DFBDMO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593059724 398534908 /nfs/dbraw/zinc/53/49/08/398534908.db2.gz SNPIVWBVMRPITA-CYBMUJFWSA-N 1 1 308.378 2.993 20 5 DFBDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593059724 398534910 /nfs/dbraw/zinc/53/49/10/398534910.db2.gz SNPIVWBVMRPITA-CYBMUJFWSA-N 1 1 308.378 2.993 20 5 DFBDMO C[N@@H+](CCNC(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000068906066 398537174 /nfs/dbraw/zinc/53/71/74/398537174.db2.gz AFEJEQGOJMLSEQ-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593069158 398537742 /nfs/dbraw/zinc/53/77/42/398537742.db2.gz HFURTSQLGQWKLY-GFCCVEGCSA-N 1 1 312.341 2.743 20 5 DFBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593069158 398537747 /nfs/dbraw/zinc/53/77/47/398537747.db2.gz HFURTSQLGQWKLY-GFCCVEGCSA-N 1 1 312.341 2.743 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000589502051 398557394 /nfs/dbraw/zinc/55/73/94/398557394.db2.gz GRKYFSSCTXPXHT-RYUDHWBXSA-N 1 1 306.362 2.859 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000322813617 398559483 /nfs/dbraw/zinc/55/94/83/398559483.db2.gz WIVGVSJRBKVAJC-QGZVFWFLSA-N 1 1 316.357 2.601 20 5 DFBDMO COC(=O)c1oc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000597076205 398560964 /nfs/dbraw/zinc/56/09/64/398560964.db2.gz QCMAFCSIOBKUOC-UHFFFAOYSA-N 1 1 304.302 2.573 20 5 DFBDMO CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593182405 398566541 /nfs/dbraw/zinc/56/65/41/398566541.db2.gz MJTJKUUCCIGEHR-UHFFFAOYSA-N 1 1 308.382 2.694 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589608904 398563189 /nfs/dbraw/zinc/56/31/89/398563189.db2.gz LLPOMUSWZDBNGE-LBPRGKRZSA-N 1 1 323.393 2.914 20 5 DFBDMO CCOC1CC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000287020051 219272305 /nfs/dbraw/zinc/27/23/05/219272305.db2.gz RIPDAWGKACHNKB-UHFFFAOYSA-N 1 1 309.322 2.502 20 5 DFBDMO CCOC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000287020051 219272308 /nfs/dbraw/zinc/27/23/08/219272308.db2.gz RIPDAWGKACHNKB-UHFFFAOYSA-N 1 1 309.322 2.502 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000279939160 215255160 /nfs/dbraw/zinc/25/51/60/215255160.db2.gz XEWYCLWMIISWTR-TZMCWYRMSA-N 1 1 308.378 2.729 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000279939151 215255632 /nfs/dbraw/zinc/25/56/32/215255632.db2.gz XEWYCLWMIISWTR-JSGCOSHPSA-N 1 1 308.378 2.729 20 5 DFBDMO CCc1nn(C)cc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000589939746 398584241 /nfs/dbraw/zinc/58/42/41/398584241.db2.gz HYTIRQORWLJZGR-UHFFFAOYSA-N 1 1 302.378 2.916 20 5 DFBDMO CC(C)([NH2+]Cc1cnc2ccnn2c1)c1ccccc1[N+](=O)[O-] ZINC000590020184 398590661 /nfs/dbraw/zinc/59/06/61/398590661.db2.gz RSTUBOPRNMCUQJ-UHFFFAOYSA-N 1 1 311.345 2.662 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](CCF)C1)OCCO2 ZINC000597211198 398591808 /nfs/dbraw/zinc/59/18/08/398591808.db2.gz LHIQCAUDQSBXJS-LBPRGKRZSA-N 1 1 324.352 2.938 20 5 DFBDMO CCOc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092668176 398591838 /nfs/dbraw/zinc/59/18/38/398591838.db2.gz XCIDACRVDKQXKY-GXTWGEPZSA-N 1 1 307.394 2.770 20 5 DFBDMO O=[N+]([O-])c1cccc2c(N[C@H]3CCc4[nH+]ccn4C3)ccnc21 ZINC000590079675 398594367 /nfs/dbraw/zinc/59/43/67/398594367.db2.gz DDUYRGKJTGXPQR-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152632360 186092145 /nfs/dbraw/zinc/09/21/45/186092145.db2.gz LCWYPFDPAIDMLU-RWMBFGLXSA-N 1 1 303.362 2.654 20 5 DFBDMO CCOc1ccc([C@H](C)[NH2+]CCN(CC)CC)cc1[N+](=O)[O-] ZINC000152559194 186085132 /nfs/dbraw/zinc/08/51/32/186085132.db2.gz QQNFMNKLMUTNSX-ZDUSSCGKSA-N 1 1 309.410 2.986 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465150 398636787 /nfs/dbraw/zinc/63/67/87/398636787.db2.gz JVEGZZZWAUAJIE-GFCCVEGCSA-N 1 1 323.356 2.870 20 5 DFBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593478745 398640860 /nfs/dbraw/zinc/64/08/60/398640860.db2.gz GHEZAPBEFZPFBJ-CYBMUJFWSA-N 1 1 300.362 2.673 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000072872094 398643817 /nfs/dbraw/zinc/64/38/17/398643817.db2.gz ZCRYQEZFLKNICM-TXEJJXNPSA-N 1 1 321.377 2.520 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000072872094 398643819 /nfs/dbraw/zinc/64/38/19/398643819.db2.gz ZCRYQEZFLKNICM-TXEJJXNPSA-N 1 1 321.377 2.520 20 5 DFBDMO CC(=O)c1ccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267839882 186372145 /nfs/dbraw/zinc/37/21/45/186372145.db2.gz ANNRMZKNXGBBJN-GXFFZTMASA-N 1 1 303.362 2.835 20 5 DFBDMO CC[N@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000590695587 398653736 /nfs/dbraw/zinc/65/37/36/398653736.db2.gz FXXNDTWUKZBHGR-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414804453 295820933 /nfs/dbraw/zinc/82/09/33/295820933.db2.gz FBHATLOUDHKSEE-LBPRGKRZSA-N 1 1 315.373 2.913 20 5 DFBDMO Cn1cc[nH+]c1CC1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302789446 282740763 /nfs/dbraw/zinc/74/07/63/282740763.db2.gz DYQIWMDSHKRJBL-UHFFFAOYSA-N 1 1 318.352 2.927 20 5 DFBDMO CCc1nn(C)c(NCC[N@@H+]2CCCC[C@@H]2CC)c1[N+](=O)[O-] ZINC000094158780 398655777 /nfs/dbraw/zinc/65/57/77/398655777.db2.gz YTCLUQLKAYZNFL-LBPRGKRZSA-N 1 1 309.414 2.567 20 5 DFBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000301719439 282747520 /nfs/dbraw/zinc/74/75/20/282747520.db2.gz PJGJMZHELPHZPZ-CYBMUJFWSA-N 1 1 300.362 2.787 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1CC(C)(C)C1 ZINC000459735793 299176876 /nfs/dbraw/zinc/17/68/76/299176876.db2.gz FAYRXIISSOPLAV-UHFFFAOYSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1sc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000045146043 398663736 /nfs/dbraw/zinc/66/37/36/398663736.db2.gz WEUOJKHKIGFQNC-UHFFFAOYSA-N 1 1 323.418 2.665 20 5 DFBDMO COC[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590764704 398669265 /nfs/dbraw/zinc/66/92/65/398669265.db2.gz GVYNXLKJNODTKB-HNNXBMFYSA-N 1 1 308.378 2.865 20 5 DFBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000072862917 191244905 /nfs/dbraw/zinc/24/49/05/191244905.db2.gz HBYDURNMDFSHNA-GFCCVEGCSA-N 1 1 323.418 2.751 20 5 DFBDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000173188662 198193401 /nfs/dbraw/zinc/19/34/01/198193401.db2.gz OPNKDVFOFNHWCW-BXUZGUMPSA-N 1 1 306.366 2.541 20 5 DFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCCC1CCOCC1)CC2 ZINC000331963799 234327062 /nfs/dbraw/zinc/32/70/62/234327062.db2.gz LZLBAOJFLUZWFE-UHFFFAOYSA-N 1 1 319.405 2.945 20 5 DFBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597854412 398704783 /nfs/dbraw/zinc/70/47/83/398704783.db2.gz HFYORIQEETWLAA-ZDUSSCGKSA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@H+]1CCc2sccc2C1 ZINC000046479126 398708374 /nfs/dbraw/zinc/70/83/74/398708374.db2.gz PJKNQCZRQAOKQE-NSHDSACASA-N 1 1 318.402 2.910 20 5 DFBDMO CC(C)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000182147670 199394041 /nfs/dbraw/zinc/39/40/41/199394041.db2.gz ZPWUVFMSKLLQFF-HNNXBMFYSA-N 1 1 322.405 2.988 20 5 DFBDMO Cc1ccc(C[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174862068 198394483 /nfs/dbraw/zinc/39/44/83/198394483.db2.gz LVMINSNFCBIILO-INIZCTEOSA-N 1 1 314.389 2.807 20 5 DFBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174875391 198395857 /nfs/dbraw/zinc/39/58/57/198395857.db2.gz AJISRDNYWXIZTD-HNNXBMFYSA-N 1 1 302.378 2.744 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@H]2C2(O)CC2)cc1 ZINC000590968921 398709995 /nfs/dbraw/zinc/70/99/95/398709995.db2.gz OZQZQJHMDQRTHO-INIZCTEOSA-N 1 1 320.389 2.743 20 5 DFBDMO CCc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597923671 398721944 /nfs/dbraw/zinc/72/19/44/398721944.db2.gz OCWGLQHBEMNAMV-AWEZNQCLSA-N 1 1 319.405 2.760 20 5 DFBDMO CCC[N@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000074073913 398722177 /nfs/dbraw/zinc/72/21/77/398722177.db2.gz QDJUEVPMYKKEMU-BQYQJAHWSA-N 1 1 317.389 2.552 20 5 DFBDMO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000130062010 283038625 /nfs/dbraw/zinc/03/86/25/283038625.db2.gz CXCDKMWAWUZHFF-CYBMUJFWSA-N 1 1 324.377 2.636 20 5 DFBDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000130062010 283038626 /nfs/dbraw/zinc/03/86/26/283038626.db2.gz CXCDKMWAWUZHFF-CYBMUJFWSA-N 1 1 324.377 2.636 20 5 DFBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4CCCC[C@@H]4C3)c2c1 ZINC000591138777 398730792 /nfs/dbraw/zinc/73/07/92/398730792.db2.gz PLFNUFPUDDMFKE-OAHLLOKOSA-N 1 1 312.373 2.818 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332533392 235067916 /nfs/dbraw/zinc/06/79/16/235067916.db2.gz WUDBDDLRBBRUPF-CQSZACIVSA-N 1 1 317.389 2.522 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332533392 235067920 /nfs/dbraw/zinc/06/79/20/235067920.db2.gz WUDBDDLRBBRUPF-CQSZACIVSA-N 1 1 317.389 2.522 20 5 DFBDMO CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598038197 398741853 /nfs/dbraw/zinc/74/18/53/398741853.db2.gz AIGXKZIQWHCITP-CJNGLKHVSA-N 1 1 319.405 2.641 20 5 DFBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598039861 398741898 /nfs/dbraw/zinc/74/18/98/398741898.db2.gz AVDMLQCFPBXFFK-LLVKDONJSA-N 1 1 311.407 2.521 20 5 DFBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047265591 398742393 /nfs/dbraw/zinc/74/23/93/398742393.db2.gz YRBNGXZVUVXIJQ-AWEZNQCLSA-N 1 1 312.373 2.873 20 5 DFBDMO CC(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000354670420 535284237 /nfs/dbraw/zinc/28/42/37/535284237.db2.gz BYXISGDZSFUTEO-GOEBONIOSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1cccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594199267 398764252 /nfs/dbraw/zinc/76/42/52/398764252.db2.gz ITCYHRGERCJEHL-LSDHHAIUSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594202782 398764944 /nfs/dbraw/zinc/76/49/44/398764944.db2.gz RTGGECFYJDPIGS-KGLIPLIRSA-N 1 1 317.389 2.650 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591578313 398773947 /nfs/dbraw/zinc/77/39/47/398773947.db2.gz QHIWGLBOCDJPRZ-JSGCOSHPSA-N 1 1 307.394 2.786 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000276932722 213183540 /nfs/dbraw/zinc/18/35/40/213183540.db2.gz RAEHKYWHFLVKAO-ZDUSSCGKSA-N 1 1 322.361 2.521 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276914483 213172184 /nfs/dbraw/zinc/17/21/84/213172184.db2.gz NZFUBGHVZOXZRS-JSGCOSHPSA-N 1 1 308.378 2.729 20 5 DFBDMO CCOc1cc(C[N@H+]2[C@H](C)CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000276826553 213117464 /nfs/dbraw/zinc/11/74/64/213117464.db2.gz ALMFVLJRGDJDRT-TZMCWYRMSA-N 1 1 308.378 2.729 20 5 DFBDMO CCC[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000466490942 299263433 /nfs/dbraw/zinc/26/34/33/299263433.db2.gz PSHGSJLODOCOIY-HOCLYGCPSA-N 1 1 322.405 2.847 20 5 DFBDMO CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075673896 398815932 /nfs/dbraw/zinc/81/59/32/398815932.db2.gz ZYNSFQWZRFEHKX-TZMCWYRMSA-N 1 1 305.378 2.504 20 5 DFBDMO COc1ccc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594522483 398816018 /nfs/dbraw/zinc/81/60/18/398816018.db2.gz YQLIJVUAHVAAKT-GJZGRUSLSA-N 1 1 319.405 2.710 20 5 DFBDMO COc1ccc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594522483 398816022 /nfs/dbraw/zinc/81/60/22/398816022.db2.gz YQLIJVUAHVAAKT-GJZGRUSLSA-N 1 1 319.405 2.710 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000598466221 398817712 /nfs/dbraw/zinc/81/77/12/398817712.db2.gz OCORFSJKMBSPEN-UHFFFAOYSA-N 1 1 307.394 2.753 20 5 DFBDMO CC(=O)c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000075721902 398820014 /nfs/dbraw/zinc/82/00/14/398820014.db2.gz IABCUOAZKXYXTK-CYBMUJFWSA-N 1 1 314.345 2.905 20 5 DFBDMO CC(=O)c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000075721901 398820186 /nfs/dbraw/zinc/82/01/86/398820186.db2.gz IABCUOAZKXYXTK-ZDUSSCGKSA-N 1 1 314.345 2.905 20 5 DFBDMO Cc1cc(N2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000051500086 398823296 /nfs/dbraw/zinc/82/32/96/398823296.db2.gz DIGZINXDDAJFRV-UHFFFAOYSA-N 1 1 301.346 2.818 20 5 DFBDMO COc1cccc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594592262 398825773 /nfs/dbraw/zinc/82/57/73/398825773.db2.gz OWCYIYAETDDWPF-UPJWGTAASA-N 1 1 323.393 2.513 20 5 DFBDMO COc1cccc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594592262 398825774 /nfs/dbraw/zinc/82/57/74/398825774.db2.gz OWCYIYAETDDWPF-UPJWGTAASA-N 1 1 323.393 2.513 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598647131 398846525 /nfs/dbraw/zinc/84/65/25/398846525.db2.gz BWWXKTTXJCMLQE-DZGCQCFKSA-N 1 1 322.405 2.832 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@H](C(F)F)C2CCCCC2)c1 ZINC000598648006 398847565 /nfs/dbraw/zinc/84/75/65/398847565.db2.gz DHDVPJFOYKSXKK-LBPRGKRZSA-N 1 1 302.325 2.595 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000052861390 398853328 /nfs/dbraw/zinc/85/33/28/398853328.db2.gz GQTAJRYJJMHXPC-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000052689277 398848978 /nfs/dbraw/zinc/84/89/78/398848978.db2.gz GZWYNMXKZPRXOZ-KBMXLJTQSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000052689277 398848982 /nfs/dbraw/zinc/84/89/82/398848982.db2.gz GZWYNMXKZPRXOZ-KBMXLJTQSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000052689271 398849014 /nfs/dbraw/zinc/84/90/14/398849014.db2.gz ZLYFWBNEKQGTIC-BPUTZDHNSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000052689271 398849015 /nfs/dbraw/zinc/84/90/15/398849015.db2.gz ZLYFWBNEKQGTIC-BPUTZDHNSA-N 1 1 318.373 2.901 20 5 DFBDMO Cc1c(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000076331494 398851716 /nfs/dbraw/zinc/85/17/16/398851716.db2.gz XWHAFGNETJGNON-CYBMUJFWSA-N 1 1 318.377 2.605 20 5 DFBDMO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cc1[N+](=O)[O-] ZINC000153055872 283350973 /nfs/dbraw/zinc/35/09/73/283350973.db2.gz DDZXWONEGPOAPZ-LRDDRELGSA-N 1 1 321.421 2.984 20 5 DFBDMO CCOC(=O)CCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153075745 283351389 /nfs/dbraw/zinc/35/13/89/283351389.db2.gz ODQSFRIRKQCCIT-UHFFFAOYSA-N 1 1 306.362 2.686 20 5 DFBDMO Cc1nn(C)c(NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000076795591 398870098 /nfs/dbraw/zinc/87/00/98/398870098.db2.gz HEEVPOVUFXKLKW-LBPRGKRZSA-N 1 1 309.414 2.561 20 5 DFBDMO CO[C@@]1(C)C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594993566 398888135 /nfs/dbraw/zinc/88/81/35/398888135.db2.gz CGQWLBJXBXWSJY-HIFRSBDPSA-N 1 1 319.386 2.985 20 5 DFBDMO O=[N+]([O-])c1ccc(CSCC[NH+]2CCOCC2)c(Cl)c1 ZINC000180950546 199232910 /nfs/dbraw/zinc/23/29/10/199232910.db2.gz SPTZOIDFQZOVGD-UHFFFAOYSA-N 1 1 316.810 2.814 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000595006036 398890337 /nfs/dbraw/zinc/89/03/37/398890337.db2.gz FFZYEBBRDATMTO-STQMWFEESA-N 1 1 319.405 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000595009211 398891132 /nfs/dbraw/zinc/89/11/32/398891132.db2.gz FQAIAHWVMUBXQP-KGLIPLIRSA-N 1 1 321.421 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCC[C@@H](C)C1 ZINC000595009211 398891135 /nfs/dbraw/zinc/89/11/35/398891135.db2.gz FQAIAHWVMUBXQP-KGLIPLIRSA-N 1 1 321.421 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000595008295 398890793 /nfs/dbraw/zinc/89/07/93/398890793.db2.gz DCYFRMOOXYJXAN-MELADBBJSA-N 1 1 319.405 2.881 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000595015982 398892264 /nfs/dbraw/zinc/89/22/64/398892264.db2.gz FRXKYJPOWWSUBW-STQMWFEESA-N 1 1 307.394 2.596 20 5 DFBDMO COC(=O)[C@@H](C)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174035 299293626 /nfs/dbraw/zinc/29/36/26/299293626.db2.gz HMFCAQYDDAHWHN-FSBNRTBOSA-N 1 1 306.362 2.739 20 5 DFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000187523694 200123400 /nfs/dbraw/zinc/12/34/00/200123400.db2.gz GMMOQHGGELIDRJ-MRXNPFEDSA-N 1 1 308.378 2.588 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599063237 398915683 /nfs/dbraw/zinc/91/56/83/398915683.db2.gz XZNHWNOJYWLXIX-IAQYHMDHSA-N 1 1 300.362 2.895 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599071856 398917082 /nfs/dbraw/zinc/91/70/82/398917082.db2.gz UULAXZRYFYXYFA-UONOGXRCSA-N 1 1 321.421 2.986 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333869 398923243 /nfs/dbraw/zinc/92/32/43/398923243.db2.gz JWQROPYCEXWCKK-LBPRGKRZSA-N 1 1 324.352 2.898 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333869 398923245 /nfs/dbraw/zinc/92/32/45/398923245.db2.gz JWQROPYCEXWCKK-LBPRGKRZSA-N 1 1 324.352 2.898 20 5 DFBDMO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343184 398924157 /nfs/dbraw/zinc/92/41/57/398924157.db2.gz FZFMAVGBFNGWPO-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595343184 398924159 /nfs/dbraw/zinc/92/41/59/398924159.db2.gz FZFMAVGBFNGWPO-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1[N+](=O)[O-] ZINC000595359590 398927342 /nfs/dbraw/zinc/92/73/42/398927342.db2.gz MVQBEWRFOVLXEB-ZDUSSCGKSA-N 1 1 303.318 2.934 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1[N+](=O)[O-] ZINC000595359590 398927345 /nfs/dbraw/zinc/92/73/45/398927345.db2.gz MVQBEWRFOVLXEB-ZDUSSCGKSA-N 1 1 303.318 2.934 20 5 DFBDMO Cc1noc(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000595363618 398927940 /nfs/dbraw/zinc/92/79/40/398927940.db2.gz FEJJHONGJTZHEO-SCRDCRAPSA-N 1 1 322.409 2.728 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c(F)c1 ZINC000152204341 398929950 /nfs/dbraw/zinc/92/99/50/398929950.db2.gz YRUKPYOTYNHFLY-OAHLLOKOSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c(F)c1 ZINC000152204341 398929952 /nfs/dbraw/zinc/92/99/52/398929952.db2.gz YRUKPYOTYNHFLY-OAHLLOKOSA-N 1 1 317.320 2.782 20 5 DFBDMO Cn1ccnc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313067 296009263 /nfs/dbraw/zinc/00/92/63/296009263.db2.gz OPVKPQABESLRTI-HNNXBMFYSA-N 1 1 300.362 2.886 20 5 DFBDMO CCc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000471806541 299306412 /nfs/dbraw/zinc/30/64/12/299306412.db2.gz ZCOBAMNHROITIO-ZDUSSCGKSA-N 1 1 319.405 2.761 20 5 DFBDMO C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000078254420 398944227 /nfs/dbraw/zinc/94/42/27/398944227.db2.gz LHMLUMZLQPSGDP-UHFFFAOYSA-N 1 1 303.284 2.756 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c1[N+](=O)[O-] ZINC000595481462 398947184 /nfs/dbraw/zinc/94/71/84/398947184.db2.gz HJFOSJVGGDCPKY-IOASZLSFSA-N 1 1 323.393 2.797 20 5 DFBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595508192 398952956 /nfs/dbraw/zinc/95/29/56/398952956.db2.gz VFETWPJUURUWHF-INIZCTEOSA-N 1 1 307.369 2.652 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000595508991 398953061 /nfs/dbraw/zinc/95/30/61/398953061.db2.gz DJUBPHQGAKMVGN-AWEZNQCLSA-N 1 1 308.353 2.982 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000595508991 398953063 /nfs/dbraw/zinc/95/30/63/398953063.db2.gz DJUBPHQGAKMVGN-AWEZNQCLSA-N 1 1 308.353 2.982 20 5 DFBDMO Cc1noc(C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)c1[N+](=O)[O-] ZINC000595520901 398956194 /nfs/dbraw/zinc/95/61/94/398956194.db2.gz PFZZKKHGGOBLFE-LBPRGKRZSA-N 1 1 302.334 2.584 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)c1[N+](=O)[O-] ZINC000595520901 398956195 /nfs/dbraw/zinc/95/61/95/398956195.db2.gz PFZZKKHGGOBLFE-LBPRGKRZSA-N 1 1 302.334 2.584 20 5 DFBDMO CCOc1cc(CN2CCC[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595536215 398959182 /nfs/dbraw/zinc/95/91/82/398959182.db2.gz OYUAJXUBVUMKTC-AWEZNQCLSA-N 1 1 321.421 2.910 20 5 DFBDMO C[C@H](O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000078516290 398962880 /nfs/dbraw/zinc/96/28/80/398962880.db2.gz YXNPDNDEHOORED-AWEZNQCLSA-N 1 1 322.405 2.989 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000078526516 398964051 /nfs/dbraw/zinc/96/40/51/398964051.db2.gz ZUFOYYKXMFRVPP-CQSZACIVSA-N 1 1 304.394 2.975 20 5 DFBDMO C[C@H]1SCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1C ZINC000118414665 291260837 /nfs/dbraw/zinc/26/08/37/291260837.db2.gz CZYQGXWSFYFOMJ-GHMZBOCLSA-N 1 1 324.402 2.787 20 5 DFBDMO C[C@H]1SCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1C ZINC000118414665 291260839 /nfs/dbraw/zinc/26/08/39/291260839.db2.gz CZYQGXWSFYFOMJ-GHMZBOCLSA-N 1 1 324.402 2.787 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000475361858 299346577 /nfs/dbraw/zinc/34/65/77/299346577.db2.gz LGAJRMBGMIAAJY-BBUPELFUSA-N 1 1 318.373 2.739 20 5 DFBDMO CCOc1ccc(NC(=O)C[NH+](C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000599599070 399025889 /nfs/dbraw/zinc/02/58/89/399025889.db2.gz HVXFWNPVSWQYFN-UHFFFAOYSA-N 1 1 319.361 2.559 20 5 DFBDMO COc1ccc(OCC[NH2+][C@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000595668690 399026664 /nfs/dbraw/zinc/02/66/64/399026664.db2.gz OJWPAXFPTJPJJD-SNVBAGLBSA-N 1 1 323.374 2.790 20 5 DFBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)CO)cc1[N+](=O)[O-] ZINC000595671444 399028008 /nfs/dbraw/zinc/02/80/08/399028008.db2.gz GLUFFCLRIKTOOP-TZMCWYRMSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000595678651 399030458 /nfs/dbraw/zinc/03/04/58/399030458.db2.gz SEBVXQMXZMAMKS-OCCSQVGLSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599633429 399035700 /nfs/dbraw/zinc/03/57/00/399035700.db2.gz LYRSPFJCUZCOES-GFELPYHRSA-N 1 1 322.430 2.950 20 5 DFBDMO COC(=O)[C@H](C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000171298901 399045066 /nfs/dbraw/zinc/04/50/66/399045066.db2.gz GQECSPGFYXBJOR-LLVKDONJSA-N 1 1 306.362 2.677 20 5 DFBDMO C[C@]12CCCC[C@H]1C[N@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599669210 399053309 /nfs/dbraw/zinc/05/33/09/399053309.db2.gz CWIYLKSZNXKXLJ-ZQIUZPCESA-N 1 1 320.389 2.599 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000171630415 399054825 /nfs/dbraw/zinc/05/48/25/399054825.db2.gz FXVPCAZTKFLGJV-LLVKDONJSA-N 1 1 304.325 2.837 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000171630415 399054830 /nfs/dbraw/zinc/05/48/30/399054830.db2.gz FXVPCAZTKFLGJV-LLVKDONJSA-N 1 1 304.325 2.837 20 5 DFBDMO COc1cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000447846250 297320657 /nfs/dbraw/zinc/32/06/57/297320657.db2.gz XMCDDJQHRCUIIG-JSGCOSHPSA-N 1 1 308.378 2.729 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600474507 399058036 /nfs/dbraw/zinc/05/80/36/399058036.db2.gz XKMHEJWDOBYVSJ-OAHLLOKOSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1sc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600471223 399058280 /nfs/dbraw/zinc/05/82/80/399058280.db2.gz KALAYIZYEZYWKC-GFCCVEGCSA-N 1 1 323.418 2.711 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600474506 399058518 /nfs/dbraw/zinc/05/85/18/399058518.db2.gz XKMHEJWDOBYVSJ-HNNXBMFYSA-N 1 1 317.389 2.650 20 5 DFBDMO COC[C@@]1(C)C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599691401 399065544 /nfs/dbraw/zinc/06/55/44/399065544.db2.gz BBTNUBDQXWTSRF-XJKSGUPXSA-N 1 1 308.378 2.702 20 5 DFBDMO COC[C@@]1(C)C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599691401 399065553 /nfs/dbraw/zinc/06/55/53/399065553.db2.gz BBTNUBDQXWTSRF-XJKSGUPXSA-N 1 1 308.378 2.702 20 5 DFBDMO COC[C@]1(C)C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599691399 399066080 /nfs/dbraw/zinc/06/60/80/399066080.db2.gz BBTNUBDQXWTSRF-CJNGLKHVSA-N 1 1 308.378 2.702 20 5 DFBDMO COC[C@]1(C)C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599691399 399066084 /nfs/dbraw/zinc/06/60/84/399066084.db2.gz BBTNUBDQXWTSRF-CJNGLKHVSA-N 1 1 308.378 2.702 20 5 DFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1=CCCOC1 ZINC000595754595 399070781 /nfs/dbraw/zinc/07/07/81/399070781.db2.gz YPWVQWWJZCLNJM-UHFFFAOYSA-N 1 1 303.318 2.515 20 5 DFBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1=CCCOC1 ZINC000595754595 399070784 /nfs/dbraw/zinc/07/07/84/399070784.db2.gz YPWVQWWJZCLNJM-UHFFFAOYSA-N 1 1 303.318 2.515 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599704990 399071115 /nfs/dbraw/zinc/07/11/15/399071115.db2.gz FRYQJPLUAPWCPG-DABQJJPHSA-N 1 1 306.362 2.757 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595760160 399074554 /nfs/dbraw/zinc/07/45/54/399074554.db2.gz SGPFYBJBYZEYQI-RHSMWYFYSA-N 1 1 320.389 2.850 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000595785793 399085046 /nfs/dbraw/zinc/08/50/46/399085046.db2.gz GOWMXIIVEZJJJH-QWHCGFSZSA-N 1 1 309.366 2.672 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595812802 399094641 /nfs/dbraw/zinc/09/46/41/399094641.db2.gz YXGSVCDOPOXERA-STQMWFEESA-N 1 1 303.362 2.574 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419368120 296136733 /nfs/dbraw/zinc/13/67/33/296136733.db2.gz FLICKRMSKKTABR-XQQFMLRXSA-N 1 1 305.378 2.818 20 5 DFBDMO COCCCC[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000419384880 296138617 /nfs/dbraw/zinc/13/86/17/296138617.db2.gz KLRDOJHFNSSXMD-UHFFFAOYSA-N 1 1 300.330 2.601 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419382970 296138515 /nfs/dbraw/zinc/13/85/15/296138515.db2.gz ZOQBWBIHBVVWPT-SRVKXCTJSA-N 1 1 321.377 2.518 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000595849753 399112536 /nfs/dbraw/zinc/11/25/36/399112536.db2.gz DSCUQPODAWDMPL-UHFFFAOYSA-N 1 1 314.341 2.738 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000595849753 399112538 /nfs/dbraw/zinc/11/25/38/399112538.db2.gz DSCUQPODAWDMPL-UHFFFAOYSA-N 1 1 314.341 2.738 20 5 DFBDMO CCCCC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595869435 399117972 /nfs/dbraw/zinc/11/79/72/399117972.db2.gz AWHLPJZWJIOZLX-HOCLYGCPSA-N 1 1 324.425 2.587 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093437328 193251282 /nfs/dbraw/zinc/25/12/82/193251282.db2.gz ZPODDAIPWGCOSY-JWLFTQPQSA-N 1 1 301.390 2.777 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000094101680 193345728 /nfs/dbraw/zinc/34/57/28/193345728.db2.gz DONUDDWMLJFTKE-LBPRGKRZSA-N 1 1 319.405 2.733 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC1CCCC1 ZINC000266852913 296151468 /nfs/dbraw/zinc/15/14/68/296151468.db2.gz JICKMQMAXKKNNB-NWDGAFQWSA-N 1 1 305.378 2.693 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CC1(C)C ZINC000595910295 399132035 /nfs/dbraw/zinc/13/20/35/399132035.db2.gz STVMGOUGDQMZEZ-VXGBXAGGSA-N 1 1 305.378 2.900 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CCO)c1ccccc1 ZINC000341230409 284253660 /nfs/dbraw/zinc/25/36/60/284253660.db2.gz SIFLDBMAACUXKE-OAHLLOKOSA-N 1 1 304.321 2.947 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](C)O)CC1 ZINC000264705611 204091175 /nfs/dbraw/zinc/09/11/75/204091175.db2.gz JRPBWGZURHOTDO-ZDUSSCGKSA-N 1 1 322.405 2.975 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264654640 204057691 /nfs/dbraw/zinc/05/76/91/204057691.db2.gz QFHMADIIIGOCEK-NWDGAFQWSA-N 1 1 323.780 2.605 20 5 DFBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596058120 399157709 /nfs/dbraw/zinc/15/77/09/399157709.db2.gz DCONFUWVELNKSN-AWEZNQCLSA-N 1 1 321.396 2.946 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[NH2+]CC2(F)F)c2ccncc21 ZINC000420294293 296170498 /nfs/dbraw/zinc/17/04/98/296170498.db2.gz YWQRDWYIQFDSSL-SNVBAGLBSA-N 1 1 322.315 2.800 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(F)cc1 ZINC000282508038 217050687 /nfs/dbraw/zinc/05/06/87/217050687.db2.gz ROPPTLPJNJHZPB-KRWDZBQOSA-N 1 1 318.348 2.942 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618584825 399170149 /nfs/dbraw/zinc/17/01/49/399170149.db2.gz OIBGQNULLAIERF-CABCVRRESA-N 1 1 315.377 2.534 20 5 DFBDMO COc1cc(N[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])cc1C ZINC000596097917 399171878 /nfs/dbraw/zinc/17/18/78/399171878.db2.gz KBUFSDLVSRJRBH-NSHDSACASA-N 1 1 302.334 2.535 20 5 DFBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1C(F)(F)F ZINC000596115197 399179165 /nfs/dbraw/zinc/17/91/65/399179165.db2.gz LYQBJOQOURNEMQ-LLVKDONJSA-N 1 1 315.295 2.898 20 5 DFBDMO COc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596142673 399189406 /nfs/dbraw/zinc/18/94/06/399189406.db2.gz UZMHMCSZZRPWCC-NSHDSACASA-N 1 1 323.780 2.707 20 5 DFBDMO O=[N+]([O-])c1cccnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000198107859 399190323 /nfs/dbraw/zinc/19/03/23/399190323.db2.gz JBCVGXVQYVTXPY-UHFFFAOYSA-N 1 1 312.373 2.702 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000266168481 205153747 /nfs/dbraw/zinc/15/37/47/205153747.db2.gz QFNXYFQBQCDALO-AWEZNQCLSA-N 1 1 305.378 2.541 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1C(C)C ZINC000063618479 399198367 /nfs/dbraw/zinc/19/83/67/399198367.db2.gz JIOOPDFUWRRTCS-HNNXBMFYSA-N 1 1 305.378 2.962 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000266302931 205250015 /nfs/dbraw/zinc/25/00/15/205250015.db2.gz KRSSELIFWWHPTQ-LBPRGKRZSA-N 1 1 323.368 2.538 20 5 DFBDMO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000600998533 399198864 /nfs/dbraw/zinc/19/88/64/399198864.db2.gz WQRALIZXAGWGNW-RYUDHWBXSA-N 1 1 323.368 2.584 20 5 DFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601011461 399203123 /nfs/dbraw/zinc/20/31/23/399203123.db2.gz RKGPFTXRPLUPCG-NEPJUHHUSA-N 1 1 323.368 2.584 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063725996 399204370 /nfs/dbraw/zinc/20/43/70/399204370.db2.gz IGWBZOHANAKTHP-UHFFFAOYSA-N 1 1 305.378 2.541 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267346626 206000495 /nfs/dbraw/zinc/00/04/95/206000495.db2.gz LBEAUKVAQIQMFQ-QWHCGFSZSA-N 1 1 323.780 2.605 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](n4cncn4)C3)c2c1 ZINC000601114084 399231297 /nfs/dbraw/zinc/23/12/97/399231297.db2.gz VYRJBTLJQJWRFR-CYBMUJFWSA-N 1 1 324.344 2.576 20 5 DFBDMO CCC1(O)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601121719 399233340 /nfs/dbraw/zinc/23/33/40/399233340.db2.gz QNMQQWGNZBWIHN-UHFFFAOYSA-N 1 1 301.346 2.884 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3CCCn4ccnc43)c2c1 ZINC000601132889 399236993 /nfs/dbraw/zinc/23/69/93/399236993.db2.gz QABGVXZYLCYSAZ-GFCCVEGCSA-N 1 1 323.356 2.751 20 5 DFBDMO C[C@@H]1CC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)O1 ZINC000601135795 399238020 /nfs/dbraw/zinc/23/80/20/399238020.db2.gz INJHPBAYMRMNTR-GHMZBOCLSA-N 1 1 301.346 2.933 20 5 DFBDMO CC(C)(O)[C@@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601136806 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320.315 2.880 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987787 399651164 /nfs/dbraw/zinc/65/11/64/399651164.db2.gz RFMOGOLLKPFVFE-SUZMYJTESA-N 1 1 318.295 2.758 20 5 DFBDMO CC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000603141490 399693092 /nfs/dbraw/zinc/69/30/92/399693092.db2.gz DLYWAUIYVUGWTF-AOOOYVTPSA-N 1 1 311.407 2.519 20 5 DFBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000603141490 399693094 /nfs/dbraw/zinc/69/30/94/399693094.db2.gz DLYWAUIYVUGWTF-AOOOYVTPSA-N 1 1 311.407 2.519 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[NH+]2CCCCC2)nn1 ZINC000603185786 399705522 /nfs/dbraw/zinc/70/55/22/399705522.db2.gz MJDBRBYGBDHTSI-ZDUSSCGKSA-N 1 1 315.377 2.782 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000613301997 399844490 /nfs/dbraw/zinc/84/44/90/399844490.db2.gz PVCGADYUSBMBNO-TZMCWYRMSA-N 1 1 320.393 2.673 20 5 DFBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000123805022 145204968 /nfs/dbraw/zinc/20/49/68/145204968.db2.gz KRJWDSHLINUQPD-HNNXBMFYSA-N 1 1 314.389 2.783 20 5 DFBDMO Cc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000153806057 145215190 /nfs/dbraw/zinc/21/51/90/145215190.db2.gz FSFPZDUFCQWTED-HNNXBMFYSA-N 1 1 320.393 2.707 20 5 DFBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172417357 145302556 /nfs/dbraw/zinc/30/25/56/145302556.db2.gz UZFWSXHXCZDSBQ-CYBMUJFWSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172417357 145302557 /nfs/dbraw/zinc/30/25/57/145302557.db2.gz UZFWSXHXCZDSBQ-CYBMUJFWSA-N 1 1 323.780 2.559 20 5 DFBDMO Cc1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173462385 145344472 /nfs/dbraw/zinc/34/44/72/145344472.db2.gz TYWOFOZURILYAD-HNNXBMFYSA-N 1 1 312.373 2.985 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246640686 146146942 /nfs/dbraw/zinc/14/69/42/146146942.db2.gz JNDLXLJNXNKYKT-UONOGXRCSA-N 1 1 315.377 2.660 20 5 DFBDMO C[NH2+]CC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000261604250 146245465 /nfs/dbraw/zinc/24/54/65/146245465.db2.gz AASYTPIJCFSBLW-UHFFFAOYSA-N 1 1 314.389 2.887 20 5 DFBDMO Cc1c(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262449827 146360876 /nfs/dbraw/zinc/36/08/76/146360876.db2.gz HSCHTPQBQVUBMT-ARFHVFGLSA-N 1 1 303.406 2.914 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000354420309 147030328 /nfs/dbraw/zinc/03/03/28/147030328.db2.gz FBXVPASGNZMXIY-KBPBESRZSA-N 1 1 319.405 2.848 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000354444986 147038627 /nfs/dbraw/zinc/03/86/27/147038627.db2.gz LKLRQTQBZVZBFG-HNNXBMFYSA-N 1 1 319.405 2.898 20 5 DFBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000355339664 147272672 /nfs/dbraw/zinc/27/26/72/147272672.db2.gz UUJCHRIIODTLDX-UONOGXRCSA-N 1 1 324.425 2.744 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355539051 147354974 /nfs/dbraw/zinc/35/49/74/147354974.db2.gz WTKGPXUAWYPSMT-AWEZNQCLSA-N 1 1 310.419 2.593 20 5 DFBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000355652943 147398012 /nfs/dbraw/zinc/39/80/12/147398012.db2.gz DPNWBUNGGOQXNX-ZDUSSCGKSA-N 1 1 320.393 2.675 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000357675767 148079217 /nfs/dbraw/zinc/07/92/17/148079217.db2.gz POHANTZDZAURBS-ZDUSSCGKSA-N 1 1 322.409 2.514 20 5 DFBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000357736893 148101766 /nfs/dbraw/zinc/10/17/66/148101766.db2.gz CMVILNJNMVRSDT-IIAWOOMASA-N 1 1 322.405 2.845 20 5 DFBDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000357927996 148179371 /nfs/dbraw/zinc/17/93/71/148179371.db2.gz JUKUTVIKKRRNSA-ZIAGYGMSSA-N 1 1 324.425 2.707 20 5 DFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358214537 148288737 /nfs/dbraw/zinc/28/87/37/148288737.db2.gz VHWGCHVKUMKJBL-CVEARBPZSA-N 1 1 308.378 2.599 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000358300245 148320755 /nfs/dbraw/zinc/32/07/55/148320755.db2.gz HXFRXKKNJZLAGD-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO Cc1c(Cc2noc([C@@H]3C[N@H+](C)C[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000361265812 149070171 /nfs/dbraw/zinc/07/01/71/149070171.db2.gz PMVIJLSFRJPMSQ-GXFFZTMASA-N 1 1 316.361 2.542 20 5 DFBDMO COc1cc(C[N@@H+](CC2CCC2)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000361492886 149129249 /nfs/dbraw/zinc/12/92/49/149129249.db2.gz NFKKHCXIWIYRHI-LBPRGKRZSA-N 1 1 308.378 2.586 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361594898 149160431 /nfs/dbraw/zinc/16/04/31/149160431.db2.gz LVGNIWIYCJZFRF-LLVKDONJSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000361594898 149160433 /nfs/dbraw/zinc/16/04/33/149160433.db2.gz LVGNIWIYCJZFRF-LLVKDONJSA-N 1 1 306.753 2.892 20 5 DFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361595929 149162172 /nfs/dbraw/zinc/16/21/72/149162172.db2.gz PURDNZWADHXHRD-GHMZBOCLSA-N 1 1 320.315 2.844 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000351327461 286121447 /nfs/dbraw/zinc/12/14/47/286121447.db2.gz LTEHUKLEFDLXKK-YWPYICTPSA-N 1 1 303.362 2.715 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000351327461 286121449 /nfs/dbraw/zinc/12/14/49/286121449.db2.gz LTEHUKLEFDLXKK-YWPYICTPSA-N 1 1 303.362 2.715 20 5 DFBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000371332639 150026160 /nfs/dbraw/zinc/02/61/60/150026160.db2.gz AKFFOMSSJBXRJD-IJIWFQOLSA-N 1 1 302.374 2.986 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000372356271 150167276 /nfs/dbraw/zinc/16/72/76/150167276.db2.gz IGRGYMVKPAYNKZ-IRXDYDNUSA-N 1 1 320.389 2.519 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000351619761 286171801 /nfs/dbraw/zinc/17/18/01/286171801.db2.gz LFHRXUMJYPQWSJ-QWRGUYRKSA-N 1 1 324.356 2.680 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000373044127 150221640 /nfs/dbraw/zinc/22/16/40/150221640.db2.gz FFASYBLNMWXJCT-VIFPVBQESA-N 1 1 307.741 2.514 20 5 DFBDMO COc1ccc(C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000351627300 286174500 /nfs/dbraw/zinc/17/45/00/286174500.db2.gz GCVASUWEQVPJAP-OCCSQVGLSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc(C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351632279 286175874 /nfs/dbraw/zinc/17/58/74/286175874.db2.gz WZIRLXULXBGZMV-JSGCOSHPSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](C)(OC)CC1 ZINC000374016522 150293264 /nfs/dbraw/zinc/29/32/64/150293264.db2.gz DMCCKYGDHGCXGT-INIZCTEOSA-N 1 1 308.378 2.994 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000374302762 150340654 /nfs/dbraw/zinc/34/06/54/150340654.db2.gz QXWULKACLTZGHP-ZDUSSCGKSA-N 1 1 303.362 2.574 20 5 DFBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000374360653 150352066 /nfs/dbraw/zinc/35/20/66/150352066.db2.gz RYDOKSJZAXZNJT-MLGOLLRUSA-N 1 1 306.362 2.534 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376107793 150531944 /nfs/dbraw/zinc/53/19/44/150531944.db2.gz XNFBPYXISVAYBK-OLZOCXBDSA-N 1 1 303.362 2.836 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000351937096 286249795 /nfs/dbraw/zinc/24/97/95/286249795.db2.gz RYGXIIHXWZSVDG-UONOGXRCSA-N 1 1 321.421 2.906 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CC1CC1 ZINC000352457733 286379062 /nfs/dbraw/zinc/37/90/62/286379062.db2.gz FBCBZRDLJVOSFD-UHFFFAOYSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000182853093 292295913 /nfs/dbraw/zinc/29/59/13/292295913.db2.gz DXRUTTYWNZIMQE-AWEZNQCLSA-N 1 1 320.389 2.846 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCOC2(CCOCC2)C1 ZINC000182853093 292295915 /nfs/dbraw/zinc/29/59/15/292295915.db2.gz DXRUTTYWNZIMQE-AWEZNQCLSA-N 1 1 320.389 2.846 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291387228 292295003 /nfs/dbraw/zinc/29/50/03/292295003.db2.gz BCTMFHCVVYHFRE-VXGBXAGGSA-N 1 1 314.332 2.914 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCC2(C1)OCCO2 ZINC000182913177 292295849 /nfs/dbraw/zinc/29/58/49/292295849.db2.gz VXPUNUCUHBBZSI-ZDUSSCGKSA-N 1 1 306.362 2.803 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCC2(C1)OCCO2 ZINC000182913177 292295850 /nfs/dbraw/zinc/29/58/50/292295850.db2.gz VXPUNUCUHBBZSI-ZDUSSCGKSA-N 1 1 306.362 2.803 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000184739812 158036907 /nfs/dbraw/zinc/03/69/07/158036907.db2.gz WQRDGRWZLHTBQJ-DBWMJRBXSA-N 1 1 303.406 2.880 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247672789 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CCOc1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000123274704 426423836 /nfs/dbraw/zinc/42/38/36/426423836.db2.gz HMPKWJHFVBNHMB-TXEJJXNPSA-N 1 1 321.377 2.805 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000123274704 426423838 /nfs/dbraw/zinc/42/38/38/426423838.db2.gz HMPKWJHFVBNHMB-TXEJJXNPSA-N 1 1 321.377 2.805 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123299222 426425057 /nfs/dbraw/zinc/42/50/57/426425057.db2.gz DIDZDWUJYSNJDN-JSGCOSHPSA-N 1 1 307.394 2.518 20 5 DFBDMO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177032983 426436592 /nfs/dbraw/zinc/43/65/92/426436592.db2.gz MCVMYBNYAREJNN-KOLCDFICSA-N 1 1 323.780 2.603 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000154542724 426444649 /nfs/dbraw/zinc/44/46/49/426444649.db2.gz WKYWHUZRTMQWJF-CVEARBPZSA-N 1 1 316.361 2.579 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1ccncc1[N+](=O)[O-] ZINC000340886911 269026741 /nfs/dbraw/zinc/02/67/41/269026741.db2.gz XMHUPGUYANMYGO-UHFFFAOYSA-N 1 1 303.366 2.665 20 5 DFBDMO Cc1nc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154922156 426459469 /nfs/dbraw/zinc/45/94/69/426459469.db2.gz GDGQBGGPXCOPTM-GFCCVEGCSA-N 1 1 304.394 2.751 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000097257904 426461884 /nfs/dbraw/zinc/46/18/84/426461884.db2.gz BGRSEROBIHBCAL-ZDUSSCGKSA-N 1 1 320.393 2.757 20 5 DFBDMO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000177407241 426477077 /nfs/dbraw/zinc/47/70/77/426477077.db2.gz IQRBSOXRKNEVID-UHFFFAOYSA-N 1 1 309.366 2.551 20 5 DFBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000177407241 426477079 /nfs/dbraw/zinc/47/70/79/426477079.db2.gz IQRBSOXRKNEVID-UHFFFAOYSA-N 1 1 309.366 2.551 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000177429733 426478822 /nfs/dbraw/zinc/47/88/22/426478822.db2.gz DUSDYALCRGJXSN-CQSZACIVSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000177429733 426478823 /nfs/dbraw/zinc/47/88/23/426478823.db2.gz DUSDYALCRGJXSN-CQSZACIVSA-N 1 1 312.753 2.633 20 5 DFBDMO NC(=O)C[N@H+](CCC1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000101567656 426484942 /nfs/dbraw/zinc/48/49/42/426484942.db2.gz CBCKHDWUJIPOMF-UHFFFAOYSA-N 1 1 319.405 2.853 20 5 DFBDMO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000101567656 426484943 /nfs/dbraw/zinc/48/49/43/426484943.db2.gz CBCKHDWUJIPOMF-UHFFFAOYSA-N 1 1 319.405 2.853 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177772404 426518032 /nfs/dbraw/zinc/51/80/32/426518032.db2.gz VAAYMMHDPCGQOU-CQSZACIVSA-N 1 1 309.797 2.918 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CO)CC1 ZINC000264235287 426522888 /nfs/dbraw/zinc/52/28/88/426522888.db2.gz ZGMFSJDNWOQRQW-UHFFFAOYSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177891938 426535492 /nfs/dbraw/zinc/53/54/92/426535492.db2.gz XEAZUUHLSUNYLP-VHSXEESVSA-N 1 1 311.769 2.917 20 5 DFBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177891938 426535494 /nfs/dbraw/zinc/53/54/94/426535494.db2.gz XEAZUUHLSUNYLP-VHSXEESVSA-N 1 1 311.769 2.917 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186488191 426537713 /nfs/dbraw/zinc/53/77/13/426537713.db2.gz WKTRNKSSYOAQSM-UHFFFAOYSA-N 1 1 308.403 2.693 20 5 DFBDMO CO[C@]1(C)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280288046 426542047 /nfs/dbraw/zinc/54/20/47/426542047.db2.gz DYGMWMNYBABISV-JKSUJKDBSA-N 1 1 308.378 2.519 20 5 DFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000288854717 426542820 /nfs/dbraw/zinc/54/28/20/426542820.db2.gz PLOXBUKKFYFBHF-INIZCTEOSA-N 1 1 308.378 2.588 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280299483 426543604 /nfs/dbraw/zinc/54/36/04/426543604.db2.gz FSFITURNNMIZOH-IOASZLSFSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280299483 426543606 /nfs/dbraw/zinc/54/36/06/426543606.db2.gz FSFITURNNMIZOH-IOASZLSFSA-N 1 1 306.362 2.536 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000177963975 426548163 /nfs/dbraw/zinc/54/81/63/426548163.db2.gz KBVGLBYVDFLTCZ-HNNXBMFYSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000177963975 426548166 /nfs/dbraw/zinc/54/81/66/426548166.db2.gz KBVGLBYVDFLTCZ-HNNXBMFYSA-N 1 1 317.320 2.782 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000280520753 426593235 /nfs/dbraw/zinc/59/32/35/426593235.db2.gz OERFSCWLDKRYLF-GFCCVEGCSA-N 1 1 308.378 2.586 20 5 DFBDMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273112707 426594775 /nfs/dbraw/zinc/59/47/75/426594775.db2.gz GNNRJFGUIVGIKP-BFHYXJOUSA-N 1 1 308.378 2.597 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000280601456 426610726 /nfs/dbraw/zinc/61/07/26/426610726.db2.gz YFIGVWJHLSIFFA-GRDNDAEWSA-N 1 1 320.389 2.672 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000280601456 426610731 /nfs/dbraw/zinc/61/07/31/426610731.db2.gz YFIGVWJHLSIFFA-GRDNDAEWSA-N 1 1 320.389 2.672 20 5 DFBDMO C[C@H](O)c1ncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289351276 426633706 /nfs/dbraw/zinc/63/37/06/426633706.db2.gz JFEXVHSUIVBUDG-NSHDSACASA-N 1 1 321.402 2.779 20 5 DFBDMO CC1=C(C)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280743925 426646204 /nfs/dbraw/zinc/64/62/04/426646204.db2.gz MQFJGSNWZLWOHD-UHFFFAOYSA-N 1 1 303.362 2.600 20 5 DFBDMO CC1=C(C)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280743925 426646209 /nfs/dbraw/zinc/64/62/09/426646209.db2.gz MQFJGSNWZLWOHD-UHFFFAOYSA-N 1 1 303.362 2.600 20 5 DFBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1=CC[N@@H+](C)CC1 ZINC000273374874 426654367 /nfs/dbraw/zinc/65/43/67/426654367.db2.gz HLWZWXZMFNABHO-JTQLQIEISA-N 1 1 322.340 2.506 20 5 DFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273484195 426672952 /nfs/dbraw/zinc/67/29/52/426672952.db2.gz RCWMZPIMIUJXEU-LLVKDONJSA-N 1 1 324.356 2.539 20 5 DFBDMO CCC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000280646591 426625180 /nfs/dbraw/zinc/62/51/80/426625180.db2.gz DZJLCEBFJMQSKY-GXTWGEPZSA-N 1 1 319.405 2.964 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000273653590 426703323 /nfs/dbraw/zinc/70/33/23/426703323.db2.gz HBEUXGGGNJDXQQ-NSHDSACASA-N 1 1 305.378 2.562 20 5 DFBDMO CCC(=O)c1ccc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000281513124 426722131 /nfs/dbraw/zinc/72/21/31/426722131.db2.gz PSKUEKRQAUEZSJ-MLGOLLRUSA-N 1 1 317.389 2.718 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000274509614 426782954 /nfs/dbraw/zinc/78/29/54/426782954.db2.gz UIIFZEJLOISUMN-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000274520334 426784231 /nfs/dbraw/zinc/78/42/31/426784231.db2.gz SBCHRSWOABVHCZ-OAHLLOKOSA-N 1 1 319.405 2.516 20 5 DFBDMO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000290535780 426786619 /nfs/dbraw/zinc/78/66/19/426786619.db2.gz LEVRNYIMWVFROS-VWYCJHECSA-N 1 1 320.349 2.719 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)C ZINC000266662695 426759109 /nfs/dbraw/zinc/75/91/09/426759109.db2.gz MIXNBDQLJWXINM-OAHLLOKOSA-N 1 1 305.378 2.962 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266935212 426798806 /nfs/dbraw/zinc/79/88/06/426798806.db2.gz UOZFAHTXYCONOE-UHFFFAOYSA-N 1 1 321.421 2.721 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000290598758 426801087 /nfs/dbraw/zinc/80/10/87/426801087.db2.gz MYCNZAAPQRLLFA-CYBMUJFWSA-N 1 1 321.421 2.682 20 5 DFBDMO Cc1ccccc1[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266949650 426803336 /nfs/dbraw/zinc/80/33/36/426803336.db2.gz ZHEPPKHQTMZAET-AWEZNQCLSA-N 1 1 300.362 2.589 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188929950 426803300 /nfs/dbraw/zinc/80/33/00/426803300.db2.gz WHVCGIULGQINQM-CQSZACIVSA-N 1 1 319.405 2.932 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000290662558 426815162 /nfs/dbraw/zinc/81/51/62/426815162.db2.gz JUECHIGZLVILED-CYBMUJFWSA-N 1 1 322.409 2.514 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267116418 426827610 /nfs/dbraw/zinc/82/76/10/426827610.db2.gz ZAGIPRKLPFQDJI-ZDUSSCGKSA-N 1 1 309.385 2.898 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000290748064 426830277 /nfs/dbraw/zinc/83/02/77/426830277.db2.gz IGLIONZSTJJHQJ-CVEARBPZSA-N 1 1 302.374 2.893 20 5 DFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000267187802 426838478 /nfs/dbraw/zinc/83/84/78/426838478.db2.gz LPZZAKDKKYTGFL-UHFFFAOYSA-N 1 1 304.325 2.673 20 5 DFBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000246506077 426840412 /nfs/dbraw/zinc/84/04/12/426840412.db2.gz BMISHEPNXPKCRO-KGLIPLIRSA-N 1 1 319.405 2.926 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CF)CC1 ZINC000295167803 426845390 /nfs/dbraw/zinc/84/53/90/426845390.db2.gz PPOXYONZQGAPJU-LLVKDONJSA-N 1 1 309.341 2.603 20 5 DFBDMO COCC[N@@H+](C)CCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000189429145 426854200 /nfs/dbraw/zinc/85/42/00/426854200.db2.gz JPIRRVJXBJXGEJ-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000290565492 426795990 /nfs/dbraw/zinc/79/59/90/426795990.db2.gz ARQKSSAJQPGAOU-CYBMUJFWSA-N 1 1 322.409 2.514 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000291564781 426917191 /nfs/dbraw/zinc/91/71/91/426917191.db2.gz OIJINWHDYCGLMI-CYBMUJFWSA-N 1 1 307.394 2.753 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290901581 426864679 /nfs/dbraw/zinc/86/46/79/426864679.db2.gz VEMHHZGDIUNZPH-CHWSQXEVSA-N 1 1 322.409 2.684 20 5 DFBDMO C[C@H](C1CCCCC1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000282323976 426881710 /nfs/dbraw/zinc/88/17/10/426881710.db2.gz AFVIRNMKAMPDSP-CYBMUJFWSA-N 1 1 307.394 2.657 20 5 DFBDMO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000275809763 426925421 /nfs/dbraw/zinc/92/54/21/426925421.db2.gz UCMGYDCMTDJBFB-KRWDZBQOSA-N 1 1 317.389 2.570 20 5 DFBDMO Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cccn2)cc([N+](=O)[O-])c1 ZINC000337629112 426887730 /nfs/dbraw/zinc/88/77/30/426887730.db2.gz LNMLIASFXAOJDH-UHFFFAOYSA-N 1 1 323.312 2.736 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247101496 426905337 /nfs/dbraw/zinc/90/53/37/426905337.db2.gz IEZNIBKTKMOKHA-ZIAGYGMSSA-N 1 1 315.377 2.660 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247543875 426950503 /nfs/dbraw/zinc/95/05/03/426950503.db2.gz RGLQYIKDZKXXSJ-GXTWGEPZSA-N 1 1 300.362 2.879 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283104883 426954115 /nfs/dbraw/zinc/95/41/15/426954115.db2.gz MAZNUJGLFNVUTR-UONOGXRCSA-N 1 1 307.369 2.793 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283293615 426990247 /nfs/dbraw/zinc/99/02/47/426990247.db2.gz YBBVGFAIVUEIDU-WFASDCNBSA-N 1 1 309.385 2.896 20 5 DFBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248872999 427056155 /nfs/dbraw/zinc/05/61/55/427056155.db2.gz VHKAYGSPVPJZIL-BPUTZDHNSA-N 1 1 318.373 2.677 20 5 DFBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248872999 427056157 /nfs/dbraw/zinc/05/61/57/427056157.db2.gz VHKAYGSPVPJZIL-BPUTZDHNSA-N 1 1 318.373 2.677 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000295537624 426997234 /nfs/dbraw/zinc/99/72/34/426997234.db2.gz JJIORUJHRIRIFJ-AWEZNQCLSA-N 1 1 321.377 2.566 20 5 DFBDMO Cc1c(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000295537624 426997241 /nfs/dbraw/zinc/99/72/41/426997241.db2.gz JJIORUJHRIRIFJ-AWEZNQCLSA-N 1 1 321.377 2.566 20 5 DFBDMO CC(=O)c1cc(NCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000283570348 427035490 /nfs/dbraw/zinc/03/54/90/427035490.db2.gz OBOCLFUQGSXGSF-LBPRGKRZSA-N 1 1 305.378 2.941 20 5 DFBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000190181108 427039681 /nfs/dbraw/zinc/03/96/81/427039681.db2.gz HMEJRVOELMFAAT-NSHDSACASA-N 1 1 320.315 2.702 20 5 DFBDMO CN(c1ncccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268520531 427041764 /nfs/dbraw/zinc/04/17/64/427041764.db2.gz ZZMNPVZQQURDTJ-HNNXBMFYSA-N 1 1 312.373 2.701 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000283737177 427065133 /nfs/dbraw/zinc/06/51/33/427065133.db2.gz IPYRSZZSZZLWCQ-CQSZACIVSA-N 1 1 319.405 2.966 20 5 DFBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000292067473 427076449 /nfs/dbraw/zinc/07/64/49/427076449.db2.gz WZMROACIYGPJDN-GFCCVEGCSA-N 1 1 300.362 2.531 20 5 DFBDMO COC(=O)c1coc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296188859 427105085 /nfs/dbraw/zinc/10/50/85/427105085.db2.gz YGVGHPBERKHODO-JTQLQIEISA-N 1 1 304.302 2.825 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCSC[C@@H](C)C1 ZINC000190453966 427112379 /nfs/dbraw/zinc/11/23/79/427112379.db2.gz DMPJSAGFNUGZHP-RYUDHWBXSA-N 1 1 323.418 2.607 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCSC[C@@H](C)C1 ZINC000190464881 427116359 /nfs/dbraw/zinc/11/63/59/427116359.db2.gz SQHUVJDOELEZAY-NSHDSACASA-N 1 1 323.418 2.527 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190464881 427116367 /nfs/dbraw/zinc/11/63/67/427116367.db2.gz SQHUVJDOELEZAY-NSHDSACASA-N 1 1 323.418 2.527 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000268826799 427132077 /nfs/dbraw/zinc/13/20/77/427132077.db2.gz LJMLUYSHMHGGTO-TZMCWYRMSA-N 1 1 305.378 2.524 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000268871961 427138753 /nfs/dbraw/zinc/13/87/53/427138753.db2.gz UPXHWHOECCJUAG-ZWNOBZJWSA-N 1 1 310.785 2.564 20 5 DFBDMO Cc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000292265462 427151221 /nfs/dbraw/zinc/15/12/21/427151221.db2.gz LCJIOJOONISVMC-GFCCVEGCSA-N 1 1 304.394 2.609 20 5 DFBDMO CS[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296336875 427151255 /nfs/dbraw/zinc/15/12/55/427151255.db2.gz PRDLDJBQDAOCBM-LBPRGKRZSA-N 1 1 320.374 2.582 20 5 DFBDMO CS[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296336875 427151263 /nfs/dbraw/zinc/15/12/63/427151263.db2.gz PRDLDJBQDAOCBM-LBPRGKRZSA-N 1 1 320.374 2.582 20 5 DFBDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182834882 427153705 /nfs/dbraw/zinc/15/37/05/427153705.db2.gz FCHXKLHDDVWPNL-LBPRGKRZSA-N 1 1 316.361 2.792 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)C1 ZINC000292288134 427161733 /nfs/dbraw/zinc/16/17/33/427161733.db2.gz MXANDLWPLAOBDG-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000171648340 271105240 /nfs/dbraw/zinc/10/52/40/271105240.db2.gz UFHGTKSJLWORFB-HNNXBMFYSA-N 1 1 312.373 2.924 20 5 DFBDMO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000171648338 271105702 /nfs/dbraw/zinc/10/57/02/271105702.db2.gz UFHGTKSJLWORFB-OAHLLOKOSA-N 1 1 312.373 2.924 20 5 DFBDMO CC(C)(C)c1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000284460813 271337456 /nfs/dbraw/zinc/33/74/56/271337456.db2.gz VALXQJRHJSACQW-UHFFFAOYSA-N 1 1 300.362 2.972 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)C1 ZINC000292331817 427178090 /nfs/dbraw/zinc/17/80/90/427178090.db2.gz PKDVBCYPMISVLG-KRWDZBQOSA-N 1 1 312.373 2.675 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1 ZINC000292437567 427181547 /nfs/dbraw/zinc/18/15/47/427181547.db2.gz YBWCPCMOUCBKIC-LBPRGKRZSA-N 1 1 304.394 2.609 20 5 DFBDMO CCCCC[N@H+](CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000183022620 427185516 /nfs/dbraw/zinc/18/55/16/427185516.db2.gz BGURXJDTUCQAFU-UHFFFAOYSA-N 1 1 313.785 2.726 20 5 DFBDMO CCCCC[N@@H+](CC(N)=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000183022620 427185521 /nfs/dbraw/zinc/18/55/21/427185521.db2.gz BGURXJDTUCQAFU-UHFFFAOYSA-N 1 1 313.785 2.726 20 5 DFBDMO CN(CCOc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285605997 427285875 /nfs/dbraw/zinc/28/58/75/427285875.db2.gz VMJVSQDDTWRJSM-YIONKMFJSA-N 1 1 319.405 2.531 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000330399459 427230155 /nfs/dbraw/zinc/23/01/55/427230155.db2.gz RMMRWDQNRVGPMY-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO CC[N@H+](Cc1ccccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269653220 427241165 /nfs/dbraw/zinc/24/11/65/427241165.db2.gz NITTWXNWBPYXHP-INIZCTEOSA-N 1 1 301.346 2.545 20 5 DFBDMO CC(C)[C@@]1(CO)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000293233571 427254360 /nfs/dbraw/zinc/25/43/60/427254360.db2.gz YPBAFFBEQGWKGZ-KRWDZBQOSA-N 1 1 322.405 2.704 20 5 DFBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC000269702727 427256349 /nfs/dbraw/zinc/25/63/49/427256349.db2.gz YXBPSSLSLYAFIE-GOSISDBHSA-N 1 1 312.369 2.727 20 5 DFBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330687266 427294094 /nfs/dbraw/zinc/29/40/94/427294094.db2.gz BTEQWVKANHJTEG-GFCCVEGCSA-N 1 1 322.409 2.553 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000297280605 427383672 /nfs/dbraw/zinc/38/36/72/427383672.db2.gz XHIGUKQWBQHDMJ-XHDPSFHLSA-N 1 1 317.393 2.638 20 5 DFBDMO C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628342 427387613 /nfs/dbraw/zinc/38/76/13/427387613.db2.gz HJGVYOGFVONQJO-OLZOCXBDSA-N 1 1 306.410 2.560 20 5 DFBDMO C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628342 427387617 /nfs/dbraw/zinc/38/76/17/427387617.db2.gz HJGVYOGFVONQJO-OLZOCXBDSA-N 1 1 306.410 2.560 20 5 DFBDMO COc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000271079675 427398493 /nfs/dbraw/zinc/39/84/93/427398493.db2.gz IKHGFCWXRAOQAO-LLVKDONJSA-N 1 1 311.357 2.521 20 5 DFBDMO CCc1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000191694871 427407301 /nfs/dbraw/zinc/40/73/01/427407301.db2.gz ZDPJHPZOZZPXJP-UHFFFAOYSA-N 1 1 315.377 2.655 20 5 DFBDMO CCc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000191694871 427407308 /nfs/dbraw/zinc/40/73/08/427407308.db2.gz ZDPJHPZOZZPXJP-UHFFFAOYSA-N 1 1 315.377 2.655 20 5 DFBDMO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191716649 427412830 /nfs/dbraw/zinc/41/28/30/427412830.db2.gz LEVRNYIMWVFROS-GARJFASQSA-N 1 1 320.349 2.719 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000277894493 427354376 /nfs/dbraw/zinc/35/43/76/427354376.db2.gz DQWHUFHOMWBXCS-AWEZNQCLSA-N 1 1 319.405 2.850 20 5 DFBDMO CCOc1cc(CN2CC[N@@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000331152967 427355564 /nfs/dbraw/zinc/35/55/64/427355564.db2.gz IWKNKHQHJVFBHW-UHFFFAOYSA-N 1 1 307.394 2.520 20 5 DFBDMO CC(C)[N@H+]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285874155 427358916 /nfs/dbraw/zinc/35/89/16/427358916.db2.gz FEZONPJICYMGDB-UHFFFAOYSA-N 1 1 313.348 2.789 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293555331 427362146 /nfs/dbraw/zinc/36/21/46/427362146.db2.gz FLWMBEBZUUUIAX-MRXNPFEDSA-N 1 1 302.374 2.986 20 5 DFBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)c(OC(F)F)c1 ZINC000338712099 427450143 /nfs/dbraw/zinc/45/01/43/427450143.db2.gz LOWXOFIGAYLKRJ-UHFFFAOYSA-N 1 1 313.304 2.870 20 5 DFBDMO CC(=O)c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000286233152 427461496 /nfs/dbraw/zinc/46/14/96/427461496.db2.gz OGARXBIRVSILQB-BBRMVZONSA-N 1 1 317.389 2.718 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000184474059 427466822 /nfs/dbraw/zinc/46/68/22/427466822.db2.gz DLSAYJMBVQIMAO-ZDUSSCGKSA-N 1 1 318.377 2.524 20 5 DFBDMO Cc1cnc(N(C)CCC[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000286272833 427475796 /nfs/dbraw/zinc/47/57/96/427475796.db2.gz FUWHLZFHHOZASQ-UHFFFAOYSA-N 1 1 318.377 2.850 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286303239 427484699 /nfs/dbraw/zinc/48/46/99/427484699.db2.gz YMUZKYBOKMDJFN-JTQLQIEISA-N 1 1 321.406 2.743 20 5 DFBDMO COc1cc(C[N@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000184271563 427428511 /nfs/dbraw/zinc/42/85/11/427428511.db2.gz BSKFUPRYLKYRTE-SNVBAGLBSA-N 1 1 300.355 2.680 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000184271563 427428515 /nfs/dbraw/zinc/42/85/15/427428515.db2.gz BSKFUPRYLKYRTE-SNVBAGLBSA-N 1 1 300.355 2.680 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286337856 427496880 /nfs/dbraw/zinc/49/68/80/427496880.db2.gz VSLPLIMLTURDDF-NNQSOWQGSA-N 1 1 317.389 2.600 20 5 DFBDMO CC/C=C/CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000184665111 427513708 /nfs/dbraw/zinc/51/37/08/427513708.db2.gz SJPYSNZTHZBCNW-ONEGZZNKSA-N 1 1 317.389 2.709 20 5 DFBDMO C[N@@H+](CCc1cnccn1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271387425 427519939 /nfs/dbraw/zinc/51/99/39/427519939.db2.gz USUXCQRRORVGRS-UHFFFAOYSA-N 1 1 306.753 2.713 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286425286 427525131 /nfs/dbraw/zinc/52/51/31/427525131.db2.gz BKGJWOYWFLYISW-SNVBAGLBSA-N 1 1 321.406 2.886 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000332222195 427550434 /nfs/dbraw/zinc/55/04/34/427550434.db2.gz AUAMIMDCPDHDLY-KBPBESRZSA-N 1 1 323.780 2.605 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC1(C)C ZINC000298266707 427553539 /nfs/dbraw/zinc/55/35/39/427553539.db2.gz WEXLUVKGIVLGCT-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@](F)(CO)C3)o2)c1 ZINC000338997817 427614301 /nfs/dbraw/zinc/61/43/01/427614301.db2.gz CBFMFZSAGAPJCX-INIZCTEOSA-N 1 1 320.320 2.761 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@](F)(CO)C3)o2)c1 ZINC000338997817 427614305 /nfs/dbraw/zinc/61/43/05/427614305.db2.gz CBFMFZSAGAPJCX-INIZCTEOSA-N 1 1 320.320 2.761 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+](CCO)CC2CC2)c1 ZINC000338923806 427561215 /nfs/dbraw/zinc/56/12/15/427561215.db2.gz HEFUBLPLEOJWDB-UHFFFAOYSA-N 1 1 318.295 2.818 20 5 DFBDMO CCc1oc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C(=O)OC ZINC000338940129 427571868 /nfs/dbraw/zinc/57/18/68/427571868.db2.gz REEPCMWXQAWATQ-UHFFFAOYSA-N 1 1 318.329 2.827 20 5 DFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000192643757 427581442 /nfs/dbraw/zinc/58/14/42/427581442.db2.gz YHQFFJYAYYQMFA-MRXNPFEDSA-N 1 1 300.358 2.630 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000192705686 427592152 /nfs/dbraw/zinc/59/21/52/427592152.db2.gz JFTUYCJXXQWJML-AWEZNQCLSA-N 1 1 323.441 2.900 20 5 DFBDMO CC[C@@H](C)[N@@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000287416500 427604317 /nfs/dbraw/zinc/60/43/17/427604317.db2.gz OSNJWGFCTNLUBD-GFCCVEGCSA-N 1 1 319.361 2.843 20 5 DFBDMO Cn1cc([C@@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000264110337 427661748 /nfs/dbraw/zinc/66/17/48/427661748.db2.gz SSHSUNJXXYLSHK-AWEZNQCLSA-N 1 1 316.361 2.544 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C[C@@H]1C ZINC000342483227 272017441 /nfs/dbraw/zinc/01/74/41/272017441.db2.gz YSAAKZWBDWJURE-NWDGAFQWSA-N 1 1 305.378 2.716 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000343566760 272172800 /nfs/dbraw/zinc/17/28/00/272172800.db2.gz KKSVFLLLLPVTAU-CQSZACIVSA-N 1 1 305.378 2.507 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000343665523 272196885 /nfs/dbraw/zinc/19/68/85/272196885.db2.gz MTDLXCGKXOZVLY-HNNXBMFYSA-N 1 1 319.405 2.761 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000343685248 272200781 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RXEYWOMGZLDGFU-HIFRSBDPSA-N 1 1 322.405 2.703 20 5 DFBDMO CC[C@]1(C)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000344223459 272290997 /nfs/dbraw/zinc/29/09/97/272290997.db2.gz SOJFICSGEFKNBW-QGZVFWFLSA-N 1 1 317.389 2.606 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344273683 272302369 /nfs/dbraw/zinc/30/23/69/272302369.db2.gz LUGMJKWQOCMZOT-TXEJJXNPSA-N 1 1 323.368 2.727 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000344737851 272364028 /nfs/dbraw/zinc/36/40/28/272364028.db2.gz ZAFOABDCMBPYJY-HNNXBMFYSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298721923 427687161 /nfs/dbraw/zinc/68/71/61/427687161.db2.gz JCNOUONJYYGNRK-ZFWWWQNUSA-N 1 1 318.377 2.652 20 5 DFBDMO Cc1nc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000295108020 427696039 /nfs/dbraw/zinc/69/60/39/427696039.db2.gz UYNPFFDBJFWVOT-WCQYABFASA-N 1 1 319.409 2.758 20 5 DFBDMO 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319.405 2.593 20 5 DFBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000355730856 427865942 /nfs/dbraw/zinc/86/59/42/427865942.db2.gz HKFLOLANDTVBLR-BARDWOONSA-N 1 1 322.405 2.701 20 5 DFBDMO CSc1ccccc1[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000337384820 427876564 /nfs/dbraw/zinc/87/65/64/427876564.db2.gz WMQQJOSYXJLYAL-SNVBAGLBSA-N 1 1 306.391 2.901 20 5 DFBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000355794401 427897498 /nfs/dbraw/zinc/89/74/98/427897498.db2.gz YZNWICZLNVREFB-WOPDTQHZSA-N 1 1 305.378 2.560 20 5 DFBDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000355794399 427897808 /nfs/dbraw/zinc/89/78/08/427897808.db2.gz YZNWICZLNVREFB-IJLUTSLNSA-N 1 1 305.378 2.560 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000349974296 427910819 /nfs/dbraw/zinc/91/08/19/427910819.db2.gz WQCHOOAKITVIBU-PBHICJAKSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000349974296 427910823 /nfs/dbraw/zinc/91/08/23/427910823.db2.gz WQCHOOAKITVIBU-PBHICJAKSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C ZINC000349974296 427910827 /nfs/dbraw/zinc/91/08/27/427910827.db2.gz WQCHOOAKITVIBU-PBHICJAKSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000349970903 427912259 /nfs/dbraw/zinc/91/22/59/427912259.db2.gz RFUXQCUKOXXBRC-CYBMUJFWSA-N 1 1 318.295 2.792 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000349970903 427912266 /nfs/dbraw/zinc/91/22/66/427912266.db2.gz RFUXQCUKOXXBRC-CYBMUJFWSA-N 1 1 318.295 2.792 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000341058217 427983867 /nfs/dbraw/zinc/98/38/67/427983867.db2.gz LAJNFCAULBVMPU-PHIMTYICSA-N 1 1 311.407 2.649 20 5 DFBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000413210243 427990903 /nfs/dbraw/zinc/99/09/03/427990903.db2.gz OUTPRPUYBYWSQV-HUUCEWRRSA-N 1 1 316.336 2.986 20 5 DFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000369694331 428037357 /nfs/dbraw/zinc/03/73/57/428037357.db2.gz DZADDWAEVZJYRQ-MRXNPFEDSA-N 1 1 312.373 2.701 20 5 DFBDMO C[N@H+]1CCC[C@@H](CCNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000413431001 428046952 /nfs/dbraw/zinc/04/69/52/428046952.db2.gz AHKXFRJZOJKMQQ-JTQLQIEISA-N 1 1 321.406 2.743 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1c[nH]c2nccnc12)C1CC1 ZINC000356053561 428002928 /nfs/dbraw/zinc/00/29/28/428002928.db2.gz AFXVAIZHWZJHPX-UHFFFAOYSA-N 1 1 323.356 2.982 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1c[nH]c2nccnc12)C1CC1 ZINC000356053561 428002934 /nfs/dbraw/zinc/00/29/34/428002934.db2.gz AFXVAIZHWZJHPX-UHFFFAOYSA-N 1 1 323.356 2.982 20 5 DFBDMO C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000413531102 428072561 /nfs/dbraw/zinc/07/25/61/428072561.db2.gz LAMNACLZUPKGOZ-AWEZNQCLSA-N 1 1 312.373 2.701 20 5 DFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000413534717 428074257 /nfs/dbraw/zinc/07/42/57/428074257.db2.gz RNWOMAHCCGNWHY-CQSZACIVSA-N 1 1 312.373 2.701 20 5 DFBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cn1 ZINC000370006858 428109089 /nfs/dbraw/zinc/10/90/89/428109089.db2.gz INLKCJAWUSVHSR-LBPRGKRZSA-N 1 1 318.352 2.532 20 5 DFBDMO Cc1csc([C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370024779 428114263 /nfs/dbraw/zinc/11/42/63/428114263.db2.gz AVWZXEKBKFLIJL-GFCCVEGCSA-N 1 1 321.406 2.783 20 5 DFBDMO Cc1csc([C@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370024779 428114267 /nfs/dbraw/zinc/11/42/67/428114267.db2.gz AVWZXEKBKFLIJL-GFCCVEGCSA-N 1 1 321.406 2.783 20 5 DFBDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370045768 428117435 /nfs/dbraw/zinc/11/74/35/428117435.db2.gz NRWRTUPCDBHHQY-AWEZNQCLSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370045768 428117440 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DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000352766835 428237758 /nfs/dbraw/zinc/23/77/58/428237758.db2.gz DDYVMLCZEPPXDC-CXAGYDPISA-N 1 1 317.389 2.566 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)ccc1[N+](=O)[O-] ZINC000341985382 428269559 /nfs/dbraw/zinc/26/95/59/428269559.db2.gz WZVLDOWLCOUDIA-INIZCTEOSA-N 1 1 306.362 2.606 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)nc2c1 ZINC000342027871 428282439 /nfs/dbraw/zinc/28/24/39/428282439.db2.gz XUEHFCSSPDZJMP-HUUCEWRRSA-N 1 1 316.361 2.615 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)nc2c1 ZINC000342027871 428282441 /nfs/dbraw/zinc/28/24/41/428282441.db2.gz XUEHFCSSPDZJMP-HUUCEWRRSA-N 1 1 316.361 2.615 20 5 DFBDMO CC(C)[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278510479 273533097 /nfs/dbraw/zinc/53/30/97/273533097.db2.gz YCAMRHMPCKENEG-UHFFFAOYSA-N 1 1 318.299 2.539 20 5 DFBDMO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352877742 428291490 /nfs/dbraw/zinc/29/14/90/428291490.db2.gz QIIINPFITINFNY-DGCLKSJQSA-N 1 1 306.366 2.507 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352778749 428242887 /nfs/dbraw/zinc/24/28/87/428242887.db2.gz MDHZUKOTSOMIPP-OAHLLOKOSA-N 1 1 320.389 2.852 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352776520 428243070 /nfs/dbraw/zinc/24/30/70/428243070.db2.gz CRSFCIKTAQIXHV-HUUCEWRRSA-N 1 1 320.389 2.852 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352780027 428244636 /nfs/dbraw/zinc/24/46/36/428244636.db2.gz RCHPITXEWHUOQP-STQMWFEESA-N 1 1 307.394 2.518 20 5 DFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000356790109 428308560 /nfs/dbraw/zinc/30/85/60/428308560.db2.gz GNAYJABOKCRZEH-UWVGGRQHSA-N 1 1 315.320 2.725 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000370879742 428312648 /nfs/dbraw/zinc/31/26/48/428312648.db2.gz YCBQEKJVNCQLAQ-ZIAGYGMSSA-N 1 1 311.332 2.936 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000378131865 428317240 /nfs/dbraw/zinc/31/72/40/428317240.db2.gz GTCNNCUVNYUPCR-KGLIPLIRSA-N 1 1 304.394 2.751 20 5 DFBDMO COC(=O)[C@]12C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000342156913 428327968 /nfs/dbraw/zinc/32/79/68/428327968.db2.gz PVKIVDGHCCVTCH-SWLSCSKDSA-N 1 1 324.402 2.822 20 5 DFBDMO CCCC[N@@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342168458 428333341 /nfs/dbraw/zinc/33/33/41/428333341.db2.gz SOOPLTGNZPTUBN-UHFFFAOYSA-N 1 1 309.395 2.743 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000356855032 428336912 /nfs/dbraw/zinc/33/69/12/428336912.db2.gz PSXFIKBOCQOYSK-KBPBESRZSA-N 1 1 319.405 2.685 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000356855032 428336920 /nfs/dbraw/zinc/33/69/20/428336920.db2.gz PSXFIKBOCQOYSK-KBPBESRZSA-N 1 1 319.405 2.685 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414550834 428338167 /nfs/dbraw/zinc/33/81/67/428338167.db2.gz AMYIGOCJTSUFEV-AFCDSYGPSA-N 1 1 318.373 2.883 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342784243 428455849 /nfs/dbraw/zinc/45/58/49/428455849.db2.gz JUJWWOYLKLSYPK-ZDUSSCGKSA-N 1 1 307.369 2.902 20 5 DFBDMO CC(=O)c1cc(NCC[N@@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000342836652 428467619 /nfs/dbraw/zinc/46/76/19/428467619.db2.gz ADYGIGLMAFYNOC-UHFFFAOYSA-N 1 1 303.362 2.861 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342917576 428487272 /nfs/dbraw/zinc/48/72/72/428487272.db2.gz BMTBDZNJVZHXHL-UHFFFAOYSA-N 1 1 318.377 2.538 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000372933557 428507930 /nfs/dbraw/zinc/50/79/30/428507930.db2.gz ZYULMRRHQHKTKK-CVEARBPZSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398932489 428531792 /nfs/dbraw/zinc/53/17/92/428531792.db2.gz TUNWVTFSSVUUBZ-TUAOUCFPSA-N 1 1 310.781 2.841 20 5 DFBDMO O=C(C[N@H+]1CCCC12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000373098647 428517627 /nfs/dbraw/zinc/51/76/27/428517627.db2.gz KGZCXOLPSCNWPI-UHFFFAOYSA-N 1 1 315.373 2.502 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000343077455 428518378 /nfs/dbraw/zinc/51/83/78/428518378.db2.gz WNBIVZKEOPZBAK-ZIAGYGMSSA-N 1 1 319.405 2.896 20 5 DFBDMO CC[N@@H+]1CCC[C@@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000391471352 428478554 /nfs/dbraw/zinc/47/85/54/428478554.db2.gz REMLKVLHJVSZRJ-CYBMUJFWSA-N 1 1 314.389 2.770 20 5 DFBDMO CC[N@H+]1CCC[C@@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000391471352 428478559 /nfs/dbraw/zinc/47/85/59/428478559.db2.gz REMLKVLHJVSZRJ-CYBMUJFWSA-N 1 1 314.389 2.770 20 5 DFBDMO CC1=C(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000361619529 428581612 /nfs/dbraw/zinc/58/16/12/428581612.db2.gz MYHQKXASUIYSQO-MRXNPFEDSA-N 1 1 315.373 2.742 20 5 DFBDMO CC1=C(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000361619529 428581619 /nfs/dbraw/zinc/58/16/19/428581619.db2.gz MYHQKXASUIYSQO-MRXNPFEDSA-N 1 1 315.373 2.742 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000373466610 428582661 /nfs/dbraw/zinc/58/26/61/428582661.db2.gz DENUDDUPJYPTCB-IRXDYDNUSA-N 1 1 320.389 2.755 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000373466610 428582667 /nfs/dbraw/zinc/58/26/67/428582667.db2.gz DENUDDUPJYPTCB-IRXDYDNUSA-N 1 1 320.389 2.755 20 5 DFBDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000347475196 428587210 /nfs/dbraw/zinc/58/72/10/428587210.db2.gz NBKQFILZAVCFJJ-CYBMUJFWSA-N 1 1 310.394 2.975 20 5 DFBDMO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OCC)CC(C)(C)O ZINC000353435010 428534027 /nfs/dbraw/zinc/53/40/27/428534027.db2.gz LGSWMJMDLCWNKZ-UHFFFAOYSA-N 1 1 310.394 2.976 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353463218 428548555 /nfs/dbraw/zinc/54/85/55/428548555.db2.gz WHKGUCZKSURXCT-OLZOCXBDSA-N 1 1 319.405 2.883 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353463218 428548557 /nfs/dbraw/zinc/54/85/57/428548557.db2.gz WHKGUCZKSURXCT-OLZOCXBDSA-N 1 1 319.405 2.883 20 5 DFBDMO CCC[N@H+](CC(=O)N(C)C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347345987 428556825 /nfs/dbraw/zinc/55/68/25/428556825.db2.gz VAGPHCXUWJAEIR-GXDHUFHOSA-N 1 1 319.405 2.798 20 5 DFBDMO CCN(CC)C(=O)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347348462 428558862 /nfs/dbraw/zinc/55/88/62/428558862.db2.gz YAUPOMNVLNANAX-UVTDQMKNSA-N 1 1 319.405 2.798 20 5 DFBDMO CCN(CC)C(=O)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347348462 428558867 /nfs/dbraw/zinc/55/88/67/428558867.db2.gz YAUPOMNVLNANAX-UVTDQMKNSA-N 1 1 319.405 2.798 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361591493 428580109 /nfs/dbraw/zinc/58/01/09/428580109.db2.gz NPRBUCHOUBPSJR-NWDGAFQWSA-N 1 1 320.315 2.844 20 5 DFBDMO C[C@H]1CCCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000358417773 428597763 /nfs/dbraw/zinc/59/77/63/428597763.db2.gz YZUGKSHEMCMNFD-ZDUSSCGKSA-N 1 1 317.389 2.748 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000353589799 428610298 /nfs/dbraw/zinc/61/02/98/428610298.db2.gz HPPDWTQQSCINBK-TZMCWYRMSA-N 1 1 318.402 2.513 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000408172248 428612626 /nfs/dbraw/zinc/61/26/26/428612626.db2.gz UJVVOPTXCXBGHU-KBPBESRZSA-N 1 1 304.394 2.527 20 5 DFBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000248647360 274065699 /nfs/dbraw/zinc/06/56/99/274065699.db2.gz SYJNUKAQJUNCHL-ZACQAIPSSA-N 1 1 320.389 2.672 20 5 DFBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000248647360 274065701 /nfs/dbraw/zinc/06/57/01/274065701.db2.gz SYJNUKAQJUNCHL-ZACQAIPSSA-N 1 1 320.389 2.672 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292905682 274118328 /nfs/dbraw/zinc/11/83/28/274118328.db2.gz WZZIOUOZMASQLJ-MRXNPFEDSA-N 1 1 305.378 2.526 20 5 DFBDMO Cc1cccc(N2CCC(Nc3ccc([N+](=O)[O-])nc3)CC2)[nH+]1 ZINC000344441023 428644820 /nfs/dbraw/zinc/64/48/20/428644820.db2.gz PSNCFBGINJDPPB-UHFFFAOYSA-N 1 1 313.361 2.774 20 5 DFBDMO C[C@@H]([N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(C)CC1 ZINC000177242508 274233431 /nfs/dbraw/zinc/23/34/31/274233431.db2.gz METKULGFNWRHPU-GFCCVEGCSA-N 1 1 317.389 2.604 20 5 DFBDMO COc1ccc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353699286 428665029 /nfs/dbraw/zinc/66/50/29/428665029.db2.gz RHBLFGUMIZSFQZ-ZFWWWQNUSA-N 1 1 319.405 2.662 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000353702404 428666284 /nfs/dbraw/zinc/66/62/84/428666284.db2.gz IPUMZBJFBURIFM-CYBMUJFWSA-N 1 1 318.295 2.792 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000353702404 428666289 /nfs/dbraw/zinc/66/62/89/428666289.db2.gz IPUMZBJFBURIFM-CYBMUJFWSA-N 1 1 318.295 2.792 20 5 DFBDMO Cc1c(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000353689040 428659676 /nfs/dbraw/zinc/65/96/76/428659676.db2.gz PQJVKDPVNJGWDS-BFYDXBDKSA-N 1 1 303.406 2.866 20 5 DFBDMO Cc1c(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000353689040 428659681 /nfs/dbraw/zinc/65/96/81/428659681.db2.gz PQJVKDPVNJGWDS-BFYDXBDKSA-N 1 1 303.406 2.866 20 5 DFBDMO C[C@@H]1CSCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194894505 274381920 /nfs/dbraw/zinc/38/19/20/274381920.db2.gz BQFFONQTVQJVLB-JTQLQIEISA-N 1 1 311.363 2.688 20 5 DFBDMO C[C@@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194894505 274381922 /nfs/dbraw/zinc/38/19/22/274381922.db2.gz BQFFONQTVQJVLB-JTQLQIEISA-N 1 1 311.363 2.688 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000362327292 428704432 /nfs/dbraw/zinc/70/44/32/428704432.db2.gz XUTFBVSBOHAUKI-BXUZGUMPSA-N 1 1 324.352 2.743 20 5 DFBDMO COc1ccc(OCC[NH2+][C@@H](C)c2ncc(C)o2)c([N+](=O)[O-])c1 ZINC000348354255 428718856 /nfs/dbraw/zinc/71/88/56/428718856.db2.gz APEOQCFVCVHDCK-NSHDSACASA-N 1 1 321.333 2.629 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344628363 428684512 /nfs/dbraw/zinc/68/45/12/428684512.db2.gz ZVYPXURXHKXAPP-AWEZNQCLSA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344642947 428689528 /nfs/dbraw/zinc/68/95/28/428689528.db2.gz LXTZYJYOCYZZDL-OAHLLOKOSA-N 1 1 319.405 2.753 20 5 DFBDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC12CCC2 ZINC000374518768 428693477 /nfs/dbraw/zinc/69/34/77/428693477.db2.gz GUPPNNPNBHOTDN-GFCCVEGCSA-N 1 1 322.336 2.509 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](C4CC4)C3)n2)c1 ZINC000362413519 428736557 /nfs/dbraw/zinc/73/65/57/428736557.db2.gz MQSJZYMKSKVXRE-CYBMUJFWSA-N 1 1 314.345 2.877 20 5 DFBDMO 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20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cs1 ZINC000375408804 428876013 /nfs/dbraw/zinc/87/60/13/428876013.db2.gz LVTHRAUPXPGISS-NSHDSACASA-N 1 1 320.374 2.906 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000375468625 428891115 /nfs/dbraw/zinc/89/11/15/428891115.db2.gz FRWNDXMVSNKMQF-NILFDRSVSA-N 1 1 308.353 2.979 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203202 428914843 /nfs/dbraw/zinc/91/48/43/428914843.db2.gz ALQLZXFZAWHYLG-GOEBONIOSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203202 428914860 /nfs/dbraw/zinc/91/48/60/428914860.db2.gz ALQLZXFZAWHYLG-GOEBONIOSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203202 428914865 /nfs/dbraw/zinc/91/48/65/428914865.db2.gz ALQLZXFZAWHYLG-GOEBONIOSA-N 1 1 321.421 2.778 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] 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ZINC000451865207 429002571 /nfs/dbraw/zinc/00/25/71/429002571.db2.gz XPQWUULIYIJHHF-CQSZACIVSA-N 1 1 302.334 2.612 20 5 DFBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433195501 429008684 /nfs/dbraw/zinc/00/86/84/429008684.db2.gz VWMMWROLOHERBI-HNNXBMFYSA-N 1 1 310.419 2.939 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451901194 429014538 /nfs/dbraw/zinc/01/45/38/429014538.db2.gz LGQHLHXTUDOBIM-INIZCTEOSA-N 1 1 306.362 2.606 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452065237 429046634 /nfs/dbraw/zinc/04/66/34/429046634.db2.gz HLPMGWBPODPPGO-DOMZBBRYSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452065237 429046642 /nfs/dbraw/zinc/04/66/42/429046642.db2.gz HLPMGWBPODPPGO-DOMZBBRYSA-N 1 1 308.378 2.585 20 5 DFBDMO C[C@H]1C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000452073570 429050181 /nfs/dbraw/zinc/05/01/81/429050181.db2.gz 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2.564 20 5 DFBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488726116 429190263 /nfs/dbraw/zinc/19/02/63/429190263.db2.gz VCJUWTRMLFSQRI-DMDPSCGWSA-N 1 1 324.812 2.810 20 5 DFBDMO COc1cc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722037 429191345 /nfs/dbraw/zinc/19/13/45/429191345.db2.gz NEPNXUKGNOTTBN-DVOMOZLQSA-N 1 1 319.405 2.770 20 5 DFBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488737793 429192720 /nfs/dbraw/zinc/19/27/20/429192720.db2.gz SGQHFZUSDOYVQH-SLEUVZQESA-N 1 1 307.369 2.900 20 5 DFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488737795 429193775 /nfs/dbraw/zinc/19/37/75/429193775.db2.gz SGQHFZUSDOYVQH-ZOWXZIJZSA-N 1 1 307.369 2.900 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC1(C)C ZINC000489453886 429242021 /nfs/dbraw/zinc/24/20/21/429242021.db2.gz YJUIYLPIXQOYET-AWEZNQCLSA-N 1 1 321.377 2.662 20 5 DFBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCO[C@H]1C ZINC000489457804 429244173 /nfs/dbraw/zinc/24/41/73/429244173.db2.gz AFZKGGPIKDDUBI-BBRMVZONSA-N 1 1 308.378 2.529 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000364709013 429254069 /nfs/dbraw/zinc/25/40/69/429254069.db2.gz JPYWBUHUMSBZCJ-CQSZACIVSA-N 1 1 309.797 2.918 20 5 DFBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(C)CCCC1 ZINC000489864422 429264624 /nfs/dbraw/zinc/26/46/24/429264624.db2.gz VGNRGEHLDWXCHZ-UHFFFAOYSA-N 1 1 317.389 2.748 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000365894396 429398157 /nfs/dbraw/zinc/39/81/57/429398157.db2.gz SFWJOVLGUVTYNF-ZIAGYGMSSA-N 1 1 304.394 2.751 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000365635347 429356356 /nfs/dbraw/zinc/35/63/56/429356356.db2.gz ZQICEIXFNUQMTQ-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000426224535 429374837 /nfs/dbraw/zinc/37/48/37/429374837.db2.gz HLRJDPQRSUGRCA-UHFFFAOYSA-N 1 1 322.405 2.991 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCC2(C)C)c1 ZINC000457057955 429388581 /nfs/dbraw/zinc/38/85/81/429388581.db2.gz PIEVMIDDYYHAPA-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448672 429454781 /nfs/dbraw/zinc/45/47/81/429454781.db2.gz DFXVXIWPALDABA-WMLDXEAASA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448672 429454786 /nfs/dbraw/zinc/45/47/86/429454786.db2.gz DFXVXIWPALDABA-WMLDXEAASA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000366071439 429412870 /nfs/dbraw/zinc/41/28/70/429412870.db2.gz FNMILWVRPSYKNI-INIZCTEOSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000366071439 429412874 /nfs/dbraw/zinc/41/28/74/429412874.db2.gz FNMILWVRPSYKNI-INIZCTEOSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1ccc(C(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000457177046 429420047 /nfs/dbraw/zinc/42/00/47/429420047.db2.gz OIPXFTCUFZUEOI-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(C)cc1Cl ZINC000449480273 429431122 /nfs/dbraw/zinc/43/11/22/429431122.db2.gz NXZLIHDGNIQGNA-SNVBAGLBSA-N 1 1 308.769 2.703 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)C2CCSCC2)cc1[N+](=O)[O-] ZINC000449682458 429478037 /nfs/dbraw/zinc/47/80/37/429478037.db2.gz HELAUWXGFMEBBZ-UHFFFAOYSA-N 1 1 310.419 2.593 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000519732791 429483352 /nfs/dbraw/zinc/48/33/52/429483352.db2.gz UWRNYGNWFGONRM-OCCSQVGLSA-N 1 1 306.410 2.773 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000366614502 429487995 /nfs/dbraw/zinc/48/79/95/429487995.db2.gz CYFUAUBOQATZKN-LBPRGKRZSA-N 1 1 316.361 2.706 20 5 DFBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000366616459 429488020 /nfs/dbraw/zinc/48/80/20/429488020.db2.gz AWCMEBYXTSSGND-ZDUSSCGKSA-N 1 1 306.362 2.534 20 5 DFBDMO C[C@@]12CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]1C2(F)F ZINC000428734085 429548715 /nfs/dbraw/zinc/54/87/15/429548715.db2.gz YEPHLJXOLPMBEP-GXTWGEPZSA-N 1 1 322.315 2.948 20 5 DFBDMO C[C@@]12CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]1C2(F)F ZINC000428734085 429548719 /nfs/dbraw/zinc/54/87/19/429548719.db2.gz YEPHLJXOLPMBEP-GXTWGEPZSA-N 1 1 322.315 2.948 20 5 DFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429000940 429568704 /nfs/dbraw/zinc/56/87/04/429568704.db2.gz GIMPQATWAIFBSJ-RKVPGOIHSA-N 1 1 317.433 2.799 20 5 DFBDMO CCOc1cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000492792718 429616173 /nfs/dbraw/zinc/61/61/73/429616173.db2.gz UBUBDSROSGLTOD-GFCCVEGCSA-N 1 1 318.377 2.920 20 5 DFBDMO CCOc1cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000492792718 429616177 /nfs/dbraw/zinc/61/61/77/429616177.db2.gz UBUBDSROSGLTOD-GFCCVEGCSA-N 1 1 318.377 2.920 20 5 DFBDMO CC(=O)c1cc(N2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000367333342 429623994 /nfs/dbraw/zinc/62/39/94/429623994.db2.gz QMDDINXZCQENLK-LBPRGKRZSA-N 1 1 314.345 2.525 20 5 DFBDMO CC(=O)c1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000367333341 429624363 /nfs/dbraw/zinc/62/43/63/429624363.db2.gz QMDDINXZCQENLK-GFCCVEGCSA-N 1 1 314.345 2.525 20 5 DFBDMO CCOc1cc(C[N@H+]2CC=C(COC)CC2)ccc1[N+](=O)[O-] ZINC000492843818 429627882 /nfs/dbraw/zinc/62/78/82/429627882.db2.gz CUSGKUQZHIFTFJ-UHFFFAOYSA-N 1 1 306.362 2.772 20 5 DFBDMO CCOc1cc(C[N@@H+]2CC=C(COC)CC2)ccc1[N+](=O)[O-] ZINC000492843818 429627887 /nfs/dbraw/zinc/62/78/87/429627887.db2.gz CUSGKUQZHIFTFJ-UHFFFAOYSA-N 1 1 306.362 2.772 20 5 DFBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CCn2cc[nH+]c2C1 ZINC000450452989 429630022 /nfs/dbraw/zinc/63/00/22/429630022.db2.gz NZASPWRCLQJXHV-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367287546 429613469 /nfs/dbraw/zinc/61/34/69/429613469.db2.gz REJZKFJQSHQTJI-LBPRGKRZSA-N 1 1 314.345 2.525 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450595904 429655987 /nfs/dbraw/zinc/65/59/87/429655987.db2.gz MTXGGLPLGVZEID-NSHDSACASA-N 1 1 313.785 2.507 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000430204791 429663070 /nfs/dbraw/zinc/66/30/70/429663070.db2.gz IBUNMGWPNDPYBU-HNNXBMFYSA-N 1 1 320.320 2.566 20 5 DFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218478 429664073 /nfs/dbraw/zinc/66/40/73/429664073.db2.gz LZDKXKHZYOTPEY-HUUCEWRRSA-N 1 1 308.378 2.729 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000430244994 429667736 /nfs/dbraw/zinc/66/77/36/429667736.db2.gz ZIHOAEHVZUNTHO-LBPRGKRZSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1ccc(OCC[N@@H+]2CC(C)=C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430279925 429671259 /nfs/dbraw/zinc/67/12/59/429671259.db2.gz NTZWOXFFBHGOQK-GFCCVEGCSA-N 1 1 306.362 2.880 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)S1 ZINC000525787467 429673449 /nfs/dbraw/zinc/67/34/49/429673449.db2.gz LBIQOLSRYBEBET-PHIMTYICSA-N 1 1 324.402 2.787 20 5 DFBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)S1 ZINC000525787467 429673454 /nfs/dbraw/zinc/67/34/54/429673454.db2.gz LBIQOLSRYBEBET-PHIMTYICSA-N 1 1 324.402 2.787 20 5 DFBDMO CCOC(=O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000431146158 429745760 /nfs/dbraw/zinc/74/57/60/429745760.db2.gz MBRYEWUKEQJGEX-UHFFFAOYSA-N 1 1 324.377 2.637 20 5 DFBDMO CCOC(=O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000431146158 429745764 /nfs/dbraw/zinc/74/57/64/429745764.db2.gz MBRYEWUKEQJGEX-UHFFFAOYSA-N 1 1 324.377 2.637 20 5 DFBDMO CC(C)[N@H+]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493210667 429713210 /nfs/dbraw/zinc/71/32/10/429713210.db2.gz WJWTYEQHSYMZRA-TWGQIWQCSA-N 1 1 317.389 2.551 20 5 DFBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451262321 429799706 /nfs/dbraw/zinc/79/97/06/429799706.db2.gz XJTPYSBGLJSPRK-XJKSGUPXSA-N 1 1 322.405 2.975 20 5 DFBDMO CC(C)[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000487042393 429762053 /nfs/dbraw/zinc/76/20/53/429762053.db2.gz IKZLIDCGZFGJFH-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368081341 429782647 /nfs/dbraw/zinc/78/26/47/429782647.db2.gz LWTAXSIGJRVBDM-OUCADQQQSA-N 1 1 303.362 2.796 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368081341 429782651 /nfs/dbraw/zinc/78/26/51/429782651.db2.gz LWTAXSIGJRVBDM-OUCADQQQSA-N 1 1 303.362 2.796 20 5 DFBDMO CC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164758958 276533834 /nfs/dbraw/zinc/53/38/34/276533834.db2.gz FHQLOSCOZHDZNL-ZIAGYGMSSA-N 1 1 301.350 2.762 20 5 DFBDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000368316288 429830172 /nfs/dbraw/zinc/83/01/72/429830172.db2.gz PACLSJNXDDJXKV-CQSZACIVSA-N 1 1 306.362 2.534 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC000432880679 429848487 /nfs/dbraw/zinc/84/84/87/429848487.db2.gz YCKAXVNHNQAVKX-AWEZNQCLSA-N 1 1 322.409 2.519 20 5 DFBDMO COC(=O)CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545162 429849998 /nfs/dbraw/zinc/84/99/98/429849998.db2.gz GTTMEQXJYXYHDH-AWEZNQCLSA-N 1 1 306.362 2.727 20 5 DFBDMO COC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545958 429850433 /nfs/dbraw/zinc/85/04/33/429850433.db2.gz IGJFWOPXUDMUMB-GDBMZVCRSA-N 1 1 318.373 2.726 20 5 DFBDMO COC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545958 429850437 /nfs/dbraw/zinc/85/04/37/429850437.db2.gz IGJFWOPXUDMUMB-GDBMZVCRSA-N 1 1 318.373 2.726 20 5 DFBDMO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547642 429850779 /nfs/dbraw/zinc/85/07/79/429850779.db2.gz LHORIPSNIGVEBJ-DZGCQCFKSA-N 1 1 319.405 2.689 20 5 DFBDMO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451568700 429856843 /nfs/dbraw/zinc/85/68/43/429856843.db2.gz OAKSLHQOBQWFFY-DZGCQCFKSA-N 1 1 319.405 2.689 20 5 DFBDMO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451568700 429856847 /nfs/dbraw/zinc/85/68/47/429856847.db2.gz OAKSLHQOBQWFFY-DZGCQCFKSA-N 1 1 319.405 2.689 20 5 DFBDMO O=C([C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000368825228 429896925 /nfs/dbraw/zinc/89/69/25/429896925.db2.gz VOPFJSPRXDUJLN-INIZCTEOSA-N 1 1 317.389 2.572 20 5 DFBDMO O=C([C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000368825228 429896927 /nfs/dbraw/zinc/89/69/27/429896927.db2.gz VOPFJSPRXDUJLN-INIZCTEOSA-N 1 1 317.389 2.572 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC12CCCCC2 ZINC000368896053 429900575 /nfs/dbraw/zinc/90/05/75/429900575.db2.gz LKPNCNLFZHPHFU-CQSZACIVSA-N 1 1 320.389 2.743 20 5 DFBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000369247213 429921200 /nfs/dbraw/zinc/92/12/00/429921200.db2.gz BDEBSKYXZOVTQM-SNVBAGLBSA-N 1 1 322.315 2.768 20 5 DFBDMO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000369273338 429921954 /nfs/dbraw/zinc/92/19/54/429921954.db2.gz GQRSLRBCMUMJGC-INIZCTEOSA-N 1 1 317.389 2.572 20 5 DFBDMO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000369273338 429921955 /nfs/dbraw/zinc/92/19/55/429921955.db2.gz GQRSLRBCMUMJGC-INIZCTEOSA-N 1 1 317.389 2.572 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000369320723 429923703 /nfs/dbraw/zinc/92/37/03/429923703.db2.gz ANGXEUOLRLIWSJ-CYBMUJFWSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451700505 429874945 /nfs/dbraw/zinc/87/49/45/429874945.db2.gz GKSNHXVZEOLACM-FVQBIDKESA-N 1 1 304.390 2.886 20 5 DFBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@H](Nc1ccc([N+](=O)[O-])nc1)C2 ZINC000558201712 429964275 /nfs/dbraw/zinc/96/42/75/429964275.db2.gz XHYQJMNLFUEFQY-LBPRGKRZSA-N 1 1 315.377 2.911 20 5 DFBDMO C[N@H+]1CCCC12CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000369385934 429934431 /nfs/dbraw/zinc/93/44/31/429934431.db2.gz ZHZPMFIXPFDYMB-UHFFFAOYSA-N 1 1 319.405 2.534 20 5 DFBDMO Cc1ccc([C@]2(C)CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369384344 429934668 /nfs/dbraw/zinc/93/46/68/429934668.db2.gz RDUIWBQEQPGLBA-QGZVFWFLSA-N 1 1 314.389 2.763 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000369470091 429951798 /nfs/dbraw/zinc/95/17/98/429951798.db2.gz VCTJPAAKWHPCPR-HOCLYGCPSA-N 1 1 306.362 2.747 20 5 DFBDMO COC(C)(C)C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000531576267 430146200 /nfs/dbraw/zinc/14/62/00/430146200.db2.gz OLRNUADJAVWJQS-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO COC(C)(C)C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000531576267 430146203 /nfs/dbraw/zinc/14/62/03/430146203.db2.gz OLRNUADJAVWJQS-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368674024 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198052762 /nfs/dbraw/zinc/05/27/62/198052762.db2.gz WJZLCLQBWREOPU-SNVBAGLBSA-N 1 1 312.753 2.633 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000172590350 198119299 /nfs/dbraw/zinc/11/92/99/198119299.db2.gz MHJJTDXEIHPFKK-LLVKDONJSA-N 1 1 323.418 2.669 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000597603531 398667773 /nfs/dbraw/zinc/66/77/73/398667773.db2.gz DHBFQPNYCHUGDC-DZGCQCFKSA-N 1 1 319.405 2.641 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459776775 299189002 /nfs/dbraw/zinc/18/90/02/299189002.db2.gz XWUNHKQFPSFZLU-DLBZAZTESA-N 1 1 304.390 2.968 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000072827686 191234619 /nfs/dbraw/zinc/23/46/19/191234619.db2.gz FGPVMILIYAWWTJ-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000072827686 191234621 /nfs/dbraw/zinc/23/46/21/191234621.db2.gz FGPVMILIYAWWTJ-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000173100459 198185009 /nfs/dbraw/zinc/18/50/09/198185009.db2.gz OBPUPXQAGNLJMT-ZDUSSCGKSA-N 1 1 305.378 2.507 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000331911478 234267605 /nfs/dbraw/zinc/26/76/05/234267605.db2.gz KUXFSHIAUOCIFP-VJUNAUMWSA-N 1 1 320.389 2.518 20 5 DFBDMO CC(C)C[C@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000072978868 191263017 /nfs/dbraw/zinc/26/30/17/191263017.db2.gz OGQDXIXVNVHUFU-AWEZNQCLSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)C[C@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000072978868 191263018 /nfs/dbraw/zinc/26/30/18/191263018.db2.gz OGQDXIXVNVHUFU-AWEZNQCLSA-N 1 1 308.378 2.721 20 5 DFBDMO O=C(C[N@H+]1CCC[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000173560507 198227064 /nfs/dbraw/zinc/22/70/64/198227064.db2.gz MLTQJZAWPVPEJZ-OCCSQVGLSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000045951129 398690202 /nfs/dbraw/zinc/69/02/02/398690202.db2.gz LKKQORYBMGJLHO-OLZOCXBDSA-N 1 1 320.393 2.979 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174179779 198302432 /nfs/dbraw/zinc/30/24/32/198302432.db2.gz ISXSSAQPYMQADG-AGUYFDCRSA-N 1 1 317.389 2.648 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597859207 398706180 /nfs/dbraw/zinc/70/61/80/398706180.db2.gz BATQVJRYBUJOFN-CYBMUJFWSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597856069 398705455 /nfs/dbraw/zinc/70/54/55/398705455.db2.gz WEDHNMHJUPMRPB-CYBMUJFWSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1c(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cccc1[N+](=O)[O-] ZINC000590970363 398711206 /nfs/dbraw/zinc/71/12/06/398711206.db2.gz ZYYABWORPFFWCP-ZBFHGGJFSA-N 1 1 302.374 2.904 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000591041354 398718365 /nfs/dbraw/zinc/71/83/65/398718365.db2.gz SSYKMVHVGJMJKB-QGZVFWFLSA-N 1 1 320.389 2.865 20 5 DFBDMO O=C(C[N@H+]1CC[C@@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591061977 398720543 /nfs/dbraw/zinc/72/05/43/398720543.db2.gz PXYXJPUUVOHYEX-CYBMUJFWSA-N 1 1 303.362 2.655 20 5 DFBDMO CN(C(=O)C[N@H+]1CC[C@@H](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591061748 398720551 /nfs/dbraw/zinc/72/05/51/398720551.db2.gz GVKZHJIUZDBKMM-CQSZACIVSA-N 1 1 317.389 2.680 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000597923111 398722336 /nfs/dbraw/zinc/72/23/36/398722336.db2.gz LKIZLLFFDVRENB-GFCCVEGCSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046952540 398727764 /nfs/dbraw/zinc/72/77/64/398727764.db2.gz FXWDPOQXRHBJHN-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@H]2C1 ZINC000364986222 283078825 /nfs/dbraw/zinc/07/88/25/283078825.db2.gz KNOYKPPIXJRLAB-PXAZEXFGSA-N 1 1 312.373 2.673 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047187632 398738814 /nfs/dbraw/zinc/73/88/14/398738814.db2.gz DWFAOSNPEPCOFL-AWEZNQCLSA-N 1 1 319.405 2.979 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000047253517 398741284 /nfs/dbraw/zinc/74/12/84/398741284.db2.gz WBTBGIZJMODRIL-VNHYZAJKSA-N 1 1 304.394 2.831 20 5 DFBDMO CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598038198 398741684 /nfs/dbraw/zinc/74/16/84/398741684.db2.gz AIGXKZIQWHCITP-CZUORRHYSA-N 1 1 319.405 2.641 20 5 DFBDMO CCC[N@H+](CC(=O)NC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092381733 283100383 /nfs/dbraw/zinc/10/03/83/283100383.db2.gz QJZHHGXGARJKEH-UHFFFAOYSA-N 1 1 307.394 2.676 20 5 DFBDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092381733 283100385 /nfs/dbraw/zinc/10/03/85/283100385.db2.gz QJZHHGXGARJKEH-UHFFFAOYSA-N 1 1 307.394 2.676 20 5 DFBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(c1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000080702403 192183605 /nfs/dbraw/zinc/18/36/05/192183605.db2.gz PMUMHXSPSPNMMP-QWHCGFSZSA-N 1 1 312.373 2.816 20 5 DFBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000081290999 192245120 /nfs/dbraw/zinc/24/51/20/192245120.db2.gz BFZYPCKVNJWQCO-GFCCVEGCSA-N 1 1 323.418 2.651 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCC[NH2+]C1CC1 ZINC000591577313 398773186 /nfs/dbraw/zinc/77/31/86/398773186.db2.gz OUPVVBNTVHUDFE-CZUORRHYSA-N 1 1 303.406 2.648 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC(F)(F)CO ZINC000184691990 199752110 /nfs/dbraw/zinc/75/21/10/199752110.db2.gz IEAWJSYEGZXRBK-YPMHNXCESA-N 1 1 314.332 2.523 20 5 DFBDMO O=C(CC[NH2+][C@@H]1CCCC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000591767455 398786205 /nfs/dbraw/zinc/78/62/05/398786205.db2.gz ROPJKOPRBKGARS-GFCCVEGCSA-N 1 1 313.304 2.701 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000594370493 398788504 /nfs/dbraw/zinc/78/85/04/398788504.db2.gz RTXASHFHSCDXKZ-GFCCVEGCSA-N 1 1 320.393 2.695 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000594370493 398788505 /nfs/dbraw/zinc/78/85/05/398788505.db2.gz RTXASHFHSCDXKZ-GFCCVEGCSA-N 1 1 320.393 2.695 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276872586 213147061 /nfs/dbraw/zinc/14/70/61/213147061.db2.gz HSSGNAQEOQKJSV-GXTWGEPZSA-N 1 1 308.378 2.729 20 5 DFBDMO CCC[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000466490943 299263295 /nfs/dbraw/zinc/26/32/95/299263295.db2.gz PSHGSJLODOCOIY-ZBFHGGJFSA-N 1 1 322.405 2.847 20 5 DFBDMO COC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179373740 199024277 /nfs/dbraw/zinc/02/42/77/199024277.db2.gz MOZRSAFHOPYZTI-VIFPVBQESA-N 1 1 304.293 2.663 20 5 DFBDMO COC[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179373740 199024279 /nfs/dbraw/zinc/02/42/79/199024279.db2.gz MOZRSAFHOPYZTI-VIFPVBQESA-N 1 1 304.293 2.663 20 5 DFBDMO COc1cc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591124 398825514 /nfs/dbraw/zinc/82/55/14/398825514.db2.gz FGIDNHFCWLQLJD-UPJWGTAASA-N 1 1 323.393 2.513 20 5 DFBDMO COc1cc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591124 398825515 /nfs/dbraw/zinc/82/55/15/398825515.db2.gz FGIDNHFCWLQLJD-UPJWGTAASA-N 1 1 323.393 2.513 20 5 DFBDMO C[C@@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000594615356 398833691 /nfs/dbraw/zinc/83/36/91/398833691.db2.gz NIDAFHPQCFAQBN-SECBINFHSA-N 1 1 316.304 2.541 20 5 DFBDMO C[C@@H](O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000594615356 398833693 /nfs/dbraw/zinc/83/36/93/398833693.db2.gz NIDAFHPQCFAQBN-SECBINFHSA-N 1 1 316.304 2.541 20 5 DFBDMO Cc1ncc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000052101477 398832150 /nfs/dbraw/zinc/83/21/50/398832150.db2.gz GLDDJVTYZBSQAK-UHFFFAOYSA-N 1 1 307.375 2.871 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000594736598 398852613 /nfs/dbraw/zinc/85/26/13/398852613.db2.gz SPOCSQIJGFAJIR-CQSZACIVSA-N 1 1 321.396 2.946 20 5 DFBDMO CCOc1cc(C[N@H+]2CC(C)(C)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000598650541 398848459 /nfs/dbraw/zinc/84/84/59/398848459.db2.gz ZXPMSPWIJOGPLQ-AWEZNQCLSA-N 1 1 322.405 2.976 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598678386 398854350 /nfs/dbraw/zinc/85/43/50/398854350.db2.gz XDZPKHYTUMYJCZ-KVGPOCCESA-N 1 1 304.390 2.948 20 5 DFBDMO C[N@@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000053349839 398868819 /nfs/dbraw/zinc/86/88/19/398868819.db2.gz DDSGDACXGKRPNK-UHFFFAOYSA-N 1 1 319.386 2.518 20 5 DFBDMO COc1ccc(CNC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594962806 398882555 /nfs/dbraw/zinc/88/25/55/398882555.db2.gz KJJSAAVFVAWMKF-ZDUSSCGKSA-N 1 1 307.394 2.566 20 5 DFBDMO COc1ccc(CNC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594962806 398882558 /nfs/dbraw/zinc/88/25/58/398882558.db2.gz KJJSAAVFVAWMKF-ZDUSSCGKSA-N 1 1 307.394 2.566 20 5 DFBDMO CCC[N@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000594992817 398887690 /nfs/dbraw/zinc/88/76/90/398887690.db2.gz YOSPOQZNBDBOLJ-CQSZACIVSA-N 1 1 307.394 2.567 20 5 DFBDMO CCCN1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000594992817 398887693 /nfs/dbraw/zinc/88/76/93/398887693.db2.gz YOSPOQZNBDBOLJ-CQSZACIVSA-N 1 1 307.394 2.567 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595030737 398895327 /nfs/dbraw/zinc/89/53/27/398895327.db2.gz VDQWNEGAPKINIA-YWPYICTPSA-N 1 1 307.394 2.594 20 5 DFBDMO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595030737 398895328 /nfs/dbraw/zinc/89/53/28/398895328.db2.gz VDQWNEGAPKINIA-YWPYICTPSA-N 1 1 307.394 2.594 20 5 DFBDMO COc1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598961773 398897850 /nfs/dbraw/zinc/89/78/50/398897850.db2.gz BJWSRYAVGHKBEH-ZDUSSCGKSA-N 1 1 307.394 2.566 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000595053406 398897871 /nfs/dbraw/zinc/89/78/71/398897871.db2.gz YAKXZIKPKFLXQO-MNOVXSKESA-N 1 1 316.361 2.535 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000595051859 398898356 /nfs/dbraw/zinc/89/83/56/398898356.db2.gz PDHHSJYUXWDNJY-FUDCBSFHSA-N 1 1 319.405 2.879 20 5 DFBDMO C[C@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000054389705 398898649 /nfs/dbraw/zinc/89/86/49/398898649.db2.gz WNGRCZUZMQYURU-QWRGUYRKSA-N 1 1 313.423 2.956 20 5 DFBDMO CCc1ccc([C@H]([NH2+][C@H]2C[C@H](O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595101998 398905481 /nfs/dbraw/zinc/90/54/81/398905481.db2.gz HEAMQQLBZRIYME-SUYBPPKGSA-N 1 1 316.357 2.953 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CC2)C1 ZINC000186960822 200038491 /nfs/dbraw/zinc/03/84/91/200038491.db2.gz KDHRFZUERWEQDP-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC2(CC2)C1 ZINC000186960822 200038492 /nfs/dbraw/zinc/03/84/92/200038492.db2.gz KDHRFZUERWEQDP-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO CC[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188064746 200188730 /nfs/dbraw/zinc/18/87/30/200188730.db2.gz QYGXPQFBTJNFMA-UHFFFAOYSA-N 1 1 319.386 2.631 20 5 DFBDMO CC[N@@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188064746 200188732 /nfs/dbraw/zinc/18/87/32/200188732.db2.gz QYGXPQFBTJNFMA-UHFFFAOYSA-N 1 1 319.386 2.631 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595384229 398930344 /nfs/dbraw/zinc/93/03/44/398930344.db2.gz UUNFTBNUSIIWHU-AWEZNQCLSA-N 1 1 316.361 2.968 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595384229 398930345 /nfs/dbraw/zinc/93/03/45/398930345.db2.gz UUNFTBNUSIIWHU-AWEZNQCLSA-N 1 1 316.361 2.968 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595381079 398930262 /nfs/dbraw/zinc/93/02/62/398930262.db2.gz ITUPSLHMGZAIDX-HUUCEWRRSA-N 1 1 307.369 2.793 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599165737 398932356 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20 5 DFBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595457614 398942514 /nfs/dbraw/zinc/94/25/14/398942514.db2.gz MEZPPHBNHVVCQC-CQSZACIVSA-N 1 1 319.361 2.581 20 5 DFBDMO Cc1noc(C[NH2+]C(C)(C)COCc2ccccc2)c1[N+](=O)[O-] ZINC000595469617 398945243 /nfs/dbraw/zinc/94/52/43/398945243.db2.gz ICHVRRDSADBRCU-UHFFFAOYSA-N 1 1 319.361 2.976 20 5 DFBDMO COc1cncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000599271309 398946048 /nfs/dbraw/zinc/94/60/48/398946048.db2.gz WUCPUXPSBHGRHM-UHFFFAOYSA-N 1 1 316.361 2.804 20 5 DFBDMO COc1cncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000599271309 398946049 /nfs/dbraw/zinc/94/60/49/398946049.db2.gz WUCPUXPSBHGRHM-UHFFFAOYSA-N 1 1 316.361 2.804 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000155749795 398947842 /nfs/dbraw/zinc/94/78/42/398947842.db2.gz FCUUXIXSZPLTKZ-UHFFFAOYSA-N 1 1 308.378 2.722 20 5 DFBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)c1 ZINC000595491548 398949228 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RMHJQZFHRHJHHJ-GFCCVEGCSA-N 1 1 309.341 2.605 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755749 399072518 /nfs/dbraw/zinc/07/25/18/399072518.db2.gz PNDXJCXAVHJUTF-ZDUSSCGKSA-N 1 1 323.368 2.913 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755749 399072523 /nfs/dbraw/zinc/07/25/23/399072523.db2.gz PNDXJCXAVHJUTF-ZDUSSCGKSA-N 1 1 323.368 2.913 20 5 DFBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595766276 399076814 /nfs/dbraw/zinc/07/68/14/399076814.db2.gz NUSDDROMQTXVKC-IAQYHMDHSA-N 1 1 317.345 2.595 20 5 DFBDMO CC[N@H+]1CCC[C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000060333534 399122197 /nfs/dbraw/zinc/12/21/97/399122197.db2.gz XRNMKBMRHFRKTE-CYBMUJFWSA-N 1 1 305.378 2.941 20 5 DFBDMO Cc1ccoc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534649 193266116 /nfs/dbraw/zinc/26/61/16/193266116.db2.gz DLSRQVGZPWAZOP-LBPRGKRZSA-N 1 1 302.334 2.578 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)nc1 ZINC000093534275 193266200 /nfs/dbraw/zinc/26/62/00/193266200.db2.gz FBZBIPSEDVBWSV-UONOGXRCSA-N 1 1 302.378 2.832 20 5 DFBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000060361128 399125620 /nfs/dbraw/zinc/12/56/20/399125620.db2.gz KRCYIOPEHFGOCI-OAHLLOKOSA-N 1 1 319.405 2.579 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000060375316 399126957 /nfs/dbraw/zinc/12/69/57/399126957.db2.gz DOGJCASUGQRGDC-UHFFFAOYSA-N 1 1 306.410 2.938 20 5 DFBDMO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000340901163 284217048 /nfs/dbraw/zinc/21/70/48/284217048.db2.gz ODOSSMDHFUEBIY-NWDGAFQWSA-N 1 1 307.394 2.939 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2CC3CC2(C)C3)cccc1[N+](=O)[O-] ZINC000595917653 399134480 /nfs/dbraw/zinc/13/44/80/399134480.db2.gz ZYKDXEZWSLKJHX-UHFFFAOYSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2CC1(C)C2 ZINC000595916431 399135250 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CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000342036024 284313585 /nfs/dbraw/zinc/31/35/85/284313585.db2.gz QTCABPIPNWTGKO-GFCCVEGCSA-N 1 1 311.407 2.537 20 5 DFBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000342036024 284313589 /nfs/dbraw/zinc/31/35/89/284313589.db2.gz QTCABPIPNWTGKO-GFCCVEGCSA-N 1 1 311.407 2.537 20 5 DFBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000080747753 399175174 /nfs/dbraw/zinc/17/51/74/399175174.db2.gz AVMFLNOLOOQNBI-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO C[N@H+]1CC[C@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596112140 399177155 /nfs/dbraw/zinc/17/71/55/399177155.db2.gz HWVWYPYRBWLXBR-SECBINFHSA-N 1 1 314.183 2.721 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000266029722 205041389 /nfs/dbraw/zinc/04/13/89/205041389.db2.gz REZWTMATQSSYJX-UHFFFAOYSA-N 1 1 320.389 2.866 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3[nH]nc4ccccc43)nc2c1 ZINC000618618679 399183741 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CC[NH+](CC)Cc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000600970398 399192065 /nfs/dbraw/zinc/19/20/65/399192065.db2.gz IQHJXBHOCCFGJQ-UHFFFAOYSA-N 1 1 309.757 2.671 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596147046 399190432 /nfs/dbraw/zinc/19/04/32/399190432.db2.gz LXRKQHBPKUVAKS-LBPRGKRZSA-N 1 1 324.812 2.811 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000063722324 399203431 /nfs/dbraw/zinc/20/34/31/399203431.db2.gz JQKNJXIRUDUXJR-UHFFFAOYSA-N 1 1 311.407 2.603 20 5 DFBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000420636880 296194610 /nfs/dbraw/zinc/19/46/10/296194610.db2.gz NZGPOCCTIQMJGC-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081049572 399208369 /nfs/dbraw/zinc/20/83/69/399208369.db2.gz MDLNDMOKMKEWFD-JOYOIKCWSA-N 1 1 304.268 2.655 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081049572 399208375 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O=[N+]([O-])c1cc(F)cnc1NCC[N@H+]1CCc2sccc2C1 ZINC000601106592 399228979 /nfs/dbraw/zinc/22/89/79/399228979.db2.gz RFEXZFOQROCCEZ-UHFFFAOYSA-N 1 1 322.365 2.661 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601125160 399234233 /nfs/dbraw/zinc/23/42/33/399234233.db2.gz NDNPLXFCTJTCTR-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCO[C@@H](C4CC4)C3)c2c1 ZINC000601143768 399240456 /nfs/dbraw/zinc/24/04/56/399240456.db2.gz KCVKKMHVTGYUPV-SJKOYZFVSA-N 1 1 313.357 2.934 20 5 DFBDMO CN(c1cc[nH+]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@H](O)CC1 ZINC000601153455 399242575 /nfs/dbraw/zinc/24/25/75/399242575.db2.gz OEBRHCOYHONSIZ-AULYBMBSSA-N 1 1 301.346 2.883 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3CC34CCOCC4)c2c1 ZINC000601148950 399241067 /nfs/dbraw/zinc/24/10/67/399241067.db2.gz CDPSZQRHEBUGMM-LBPRGKRZSA-N 1 1 313.357 2.794 20 5 DFBDMO CCCC[N@@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000023991594 182371677 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318.295 2.959 20 5 DFBDMO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000421022354 296227188 /nfs/dbraw/zinc/22/71/88/296227188.db2.gz OYIMHKJUAKRIAU-JOYOIKCWSA-N 1 1 318.295 2.959 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421116859 296236430 /nfs/dbraw/zinc/23/64/30/296236430.db2.gz SISDLOXZDBJZSJ-CQSZACIVSA-N 1 1 320.393 2.715 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601540186 399298129 /nfs/dbraw/zinc/29/81/29/399298129.db2.gz DZYQQSSISUZJPR-ZDUSSCGKSA-N 1 1 323.368 2.584 20 5 DFBDMO COCCC[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042422084 183267514 /nfs/dbraw/zinc/26/75/14/183267514.db2.gz XMRMSHPFQHPDHX-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO COCCC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042422084 183267516 /nfs/dbraw/zinc/26/75/16/183267516.db2.gz XMRMSHPFQHPDHX-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609258864 399310502 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DFBDMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000284490508 218049622 /nfs/dbraw/zinc/04/96/22/218049622.db2.gz BWJFWGIMKOQRNR-GVDBMIGSSA-N 1 1 320.389 2.611 20 5 DFBDMO COC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284525492 218064275 /nfs/dbraw/zinc/06/42/75/218064275.db2.gz KKSQOXFTLVBFHD-STQMWFEESA-N 1 1 308.378 2.782 20 5 DFBDMO COC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284525492 218064277 /nfs/dbraw/zinc/06/42/77/218064277.db2.gz KKSQOXFTLVBFHD-STQMWFEESA-N 1 1 308.378 2.782 20 5 DFBDMO Cc1c(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000104977055 194061081 /nfs/dbraw/zinc/06/10/81/194061081.db2.gz FBKUSTISAQSJJK-ZDUSSCGKSA-N 1 1 318.377 2.605 20 5 DFBDMO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619516246 399356850 /nfs/dbraw/zinc/35/68/50/399356850.db2.gz PLJZYCJRYIGCED-CKEIUWERSA-N 1 1 320.389 2.926 20 5 DFBDMO CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619516246 399356852 /nfs/dbraw/zinc/35/68/52/399356852.db2.gz PLJZYCJRYIGCED-CKEIUWERSA-N 1 1 320.389 2.926 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000619566979 399362967 /nfs/dbraw/zinc/36/29/67/399362967.db2.gz FMHMMCAXJCQSGB-NSHDSACASA-N 1 1 311.407 2.521 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000610369513 399362475 /nfs/dbraw/zinc/36/24/75/399362475.db2.gz HWWXYLOWVUZGBZ-KGLIPLIRSA-N 1 1 317.389 2.743 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000284884085 218220479 /nfs/dbraw/zinc/22/04/79/218220479.db2.gz TWSBTYVWOGDDGZ-UKRRQHHQSA-N 1 1 324.352 2.886 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000284884085 218220482 /nfs/dbraw/zinc/22/04/82/218220482.db2.gz TWSBTYVWOGDDGZ-UKRRQHHQSA-N 1 1 324.352 2.886 20 5 DFBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000610452003 399369514 /nfs/dbraw/zinc/36/95/14/399369514.db2.gz TZLZSTCWOLPJLU-LBPRGKRZSA-N 1 1 318.352 2.532 20 5 DFBDMO CCOCC[N@H+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106111874 194187461 /nfs/dbraw/zinc/18/74/61/194187461.db2.gz RZQCYUPROKCTLJ-GJZGRUSLSA-N 1 1 321.421 2.698 20 5 DFBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106501878 194220783 /nfs/dbraw/zinc/22/07/83/194220783.db2.gz QJPQAWWCOOVWGW-ZDUSSCGKSA-N 1 1 318.377 2.733 20 5 DFBDMO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C[NH3+] ZINC000602021636 399386202 /nfs/dbraw/zinc/38/62/02/399386202.db2.gz QTNQYQQWOOBGJG-TZMCWYRMSA-N 1 1 315.373 2.881 20 5 DFBDMO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285248613 218351339 /nfs/dbraw/zinc/35/13/39/218351339.db2.gz HAPMCJCLELRYHB-KBPBESRZSA-N 1 1 321.421 2.762 20 5 DFBDMO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285248613 218351341 /nfs/dbraw/zinc/35/13/41/218351341.db2.gz HAPMCJCLELRYHB-KBPBESRZSA-N 1 1 321.421 2.762 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2c(ncn2C)C1 ZINC000615833768 399387352 /nfs/dbraw/zinc/38/73/52/399387352.db2.gz VGPMLAVHJYNRBI-JYRVWZFOSA-N 1 1 312.373 2.790 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(ncn2C)C1 ZINC000615833768 399387356 /nfs/dbraw/zinc/38/73/56/399387356.db2.gz VGPMLAVHJYNRBI-JYRVWZFOSA-N 1 1 312.373 2.790 20 5 DFBDMO C[C@@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602070701 399391418 /nfs/dbraw/zinc/39/14/18/399391418.db2.gz HYQRUNGMCZQPEH-MLGOLLRUSA-N 1 1 317.389 2.789 20 5 DFBDMO CCCN1CCC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109788443 194285069 /nfs/dbraw/zinc/28/50/69/194285069.db2.gz JLNJSKNFDFRTCO-UHFFFAOYSA-N 1 1 321.421 2.780 20 5 DFBDMO CCCN1CCC([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109788443 194285072 /nfs/dbraw/zinc/28/50/72/194285072.db2.gz JLNJSKNFDFRTCO-UHFFFAOYSA-N 1 1 321.421 2.780 20 5 DFBDMO CC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602115194 399397121 /nfs/dbraw/zinc/39/71/21/399397121.db2.gz GUYPUEIUHQIWLR-IUODEOHRSA-N 1 1 305.378 2.504 20 5 DFBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000602116105 399397407 /nfs/dbraw/zinc/39/74/07/399397407.db2.gz JWMCQOQEHAWCIM-JSGCOSHPSA-N 1 1 305.378 2.565 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000110992390 194378738 /nfs/dbraw/zinc/37/87/38/194378738.db2.gz YUZDAZCZTSOERB-AWEZNQCLSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1c(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000602149057 399401301 /nfs/dbraw/zinc/40/13/01/399401301.db2.gz QKFROOJLLUKMKI-INIZCTEOSA-N 1 1 317.389 2.536 20 5 DFBDMO C[C@@H](NC(=O)[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000602135289 399400337 /nfs/dbraw/zinc/40/03/37/399400337.db2.gz ZGKWWEABSDBKMR-WBMJQRKESA-N 1 1 317.389 2.789 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000055903093 184000260 /nfs/dbraw/zinc/00/02/60/184000260.db2.gz DLMPVUVHXVLMBQ-AWEZNQCLSA-N 1 1 320.389 2.865 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccccc1Cl ZINC000610782709 399405912 /nfs/dbraw/zinc/40/59/12/399405912.db2.gz NZWSNOSZGSSZFW-UHFFFAOYSA-N 1 1 308.769 2.885 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccccc1Cl ZINC000610782709 399405916 /nfs/dbraw/zinc/40/59/16/399405916.db2.gz NZWSNOSZGSSZFW-UHFFFAOYSA-N 1 1 308.769 2.885 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOC(C)(C)C ZINC000610859709 399413037 /nfs/dbraw/zinc/41/30/37/399413037.db2.gz JEHWGFGAQCSEDM-LBPRGKRZSA-N 1 1 323.393 2.669 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC000610859709 399413039 /nfs/dbraw/zinc/41/30/39/399413039.db2.gz JEHWGFGAQCSEDM-LBPRGKRZSA-N 1 1 323.393 2.669 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOC(C)(C)C ZINC000610859708 399413339 /nfs/dbraw/zinc/41/33/39/399413339.db2.gz JEHWGFGAQCSEDM-GFCCVEGCSA-N 1 1 323.393 2.669 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOC(C)(C)C ZINC000610859708 399413341 /nfs/dbraw/zinc/41/33/41/399413341.db2.gz JEHWGFGAQCSEDM-GFCCVEGCSA-N 1 1 323.393 2.669 20 5 DFBDMO C[C@@H]1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)S1 ZINC000611265612 399453426 /nfs/dbraw/zinc/45/34/26/399453426.db2.gz MDJXEBYUOQRWCW-GHMZBOCLSA-N 1 1 324.402 2.692 20 5 DFBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602473300 399454338 /nfs/dbraw/zinc/45/43/38/399454338.db2.gz LTMWRHXVUAHFCS-CYBMUJFWSA-N 1 1 302.378 2.700 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000602472939 399454623 /nfs/dbraw/zinc/45/46/23/399454623.db2.gz SGXGOXAWKAMSKE-SNVBAGLBSA-N 1 1 318.295 2.818 20 5 DFBDMO C[C@H]([N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(C)CC1 ZINC000611285786 399458367 /nfs/dbraw/zinc/45/83/67/399458367.db2.gz YUDXHTBOGJIUMC-NSHDSACASA-N 1 1 306.362 2.986 20 5 DFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000611298972 399459891 /nfs/dbraw/zinc/45/98/91/399459891.db2.gz DGSYRXSGJGXBAA-RYUDHWBXSA-N 1 1 300.362 2.672 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602534904 399470254 /nfs/dbraw/zinc/47/02/54/399470254.db2.gz VKCFCGKWAMLNGI-LLVKDONJSA-N 1 1 306.366 2.556 20 5 DFBDMO CCCC[N@@H+](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602562882 399476626 /nfs/dbraw/zinc/47/66/26/399476626.db2.gz HOUPVXXEANTSKZ-UHFFFAOYSA-N 1 1 306.366 2.558 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@@H]2C[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000611475955 399479839 /nfs/dbraw/zinc/47/98/39/399479839.db2.gz ZWQTXBNGKXWIKF-KCQAQPDRSA-N 1 1 321.421 2.984 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@@H]2C[N@@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000611475955 399479842 /nfs/dbraw/zinc/47/98/42/399479842.db2.gz ZWQTXBNGKXWIKF-KCQAQPDRSA-N 1 1 321.421 2.984 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501864 399483022 /nfs/dbraw/zinc/48/30/22/399483022.db2.gz JOAMGCAJSSXNIZ-RISCZKNCSA-N 1 1 323.368 2.912 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501863 399483175 /nfs/dbraw/zinc/48/31/75/399483175.db2.gz JOAMGCAJSSXNIZ-FZMZJTMJSA-N 1 1 323.368 2.912 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501834 399483231 /nfs/dbraw/zinc/48/32/31/399483231.db2.gz ITWJHLGVJYFVKW-FZMZJTMJSA-N 1 1 323.368 2.912 20 5 DFBDMO CCOc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000611510287 399484995 /nfs/dbraw/zinc/48/49/95/399484995.db2.gz GXAFIBUQKHZNDO-WFASDCNBSA-N 1 1 305.378 2.524 20 5 DFBDMO CCOc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000611510284 399485156 /nfs/dbraw/zinc/48/51/56/399485156.db2.gz GXAFIBUQKHZNDO-DOMZBBRYSA-N 1 1 305.378 2.524 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000611555509 399491232 /nfs/dbraw/zinc/49/12/32/399491232.db2.gz UBOIMAXFRIPRQB-HLRDLLSLSA-N 1 1 312.373 2.969 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580101 399496627 /nfs/dbraw/zinc/49/66/27/399496627.db2.gz QQDJWSJGGAILTN-NSHDSACASA-N 1 1 316.304 2.677 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580101 399496630 /nfs/dbraw/zinc/49/66/30/399496630.db2.gz QQDJWSJGGAILTN-NSHDSACASA-N 1 1 316.304 2.677 20 5 DFBDMO Cc1ccc(CNc2cccnc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000611583905 399497305 /nfs/dbraw/zinc/49/73/05/399497305.db2.gz KZUMTXXCGXVRIS-UHFFFAOYSA-N 1 1 313.361 2.906 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000611616730 399498972 /nfs/dbraw/zinc/49/89/72/399498972.db2.gz AFYQGFPRNCRKGK-AWEZNQCLSA-N 1 1 306.410 2.917 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@@H]1CCO ZINC000347365774 285016996 /nfs/dbraw/zinc/01/69/96/285016996.db2.gz UMTMNHOHQBPVIW-OVHOFWQVSA-N 1 1 322.430 2.798 20 5 DFBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000248465957 285021282 /nfs/dbraw/zinc/02/12/82/285021282.db2.gz RZBAXYFLHQCDFS-ZIAGYGMSSA-N 1 1 310.394 2.701 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000602670478 399512601 /nfs/dbraw/zinc/51/26/01/399512601.db2.gz FWJZNNJMSBGFEB-GFCCVEGCSA-N 1 1 318.295 2.960 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000602672150 399513467 /nfs/dbraw/zinc/51/34/67/399513467.db2.gz OPLUYUGJEKAYIZ-IAGOWNOFSA-N 1 1 302.374 2.781 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000602672150 399513471 /nfs/dbraw/zinc/51/34/71/399513471.db2.gz OPLUYUGJEKAYIZ-IAGOWNOFSA-N 1 1 302.374 2.781 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602671673 399513616 /nfs/dbraw/zinc/51/36/16/399513616.db2.gz SRYYNFQSWWZBDE-GFCCVEGCSA-N 1 1 320.393 2.946 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000119912069 195060407 /nfs/dbraw/zinc/06/04/07/195060407.db2.gz DRSGIZCZJHIHQQ-OAGGEKHMSA-N 1 1 304.390 2.883 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000120114177 195099445 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20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000347662950 285119409 /nfs/dbraw/zinc/11/94/09/285119409.db2.gz NTQFVSJBBWQHGN-HNNXBMFYSA-N 1 1 320.389 2.994 20 5 DFBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000602752351 399556492 /nfs/dbraw/zinc/55/64/92/399556492.db2.gz LRPPDMALUBAKJB-YXMMZVCTSA-N 1 1 301.390 2.634 20 5 DFBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000602752351 399556494 /nfs/dbraw/zinc/55/64/94/399556494.db2.gz LRPPDMALUBAKJB-YXMMZVCTSA-N 1 1 301.390 2.634 20 5 DFBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1C ZINC000602760423 399559777 /nfs/dbraw/zinc/55/97/77/399559777.db2.gz OEPCAVSMKFGXEZ-UHFFFAOYSA-N 1 1 302.378 2.930 20 5 DFBDMO CC[N@H+](CCc1ccccc1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602767243 399562187 /nfs/dbraw/zinc/56/21/87/399562187.db2.gz STIKLNYXRPDFAU-UHFFFAOYSA-N 1 1 302.378 2.664 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000602778137 399568719 /nfs/dbraw/zinc/56/87/19/399568719.db2.gz FKUSLZPMDLQSIS-CJNGLKHVSA-N 1 1 314.389 2.978 20 5 DFBDMO Cc1cccnc1[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602791502 399575837 /nfs/dbraw/zinc/57/58/37/399575837.db2.gz UUUWRBZOPWTSOM-ZDUSSCGKSA-N 1 1 303.366 2.519 20 5 DFBDMO CCOCC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157602160 197200390 /nfs/dbraw/zinc/20/03/90/197200390.db2.gz YZGDBXYMCHZVEW-ZDUSSCGKSA-N 1 1 323.393 2.589 20 5 DFBDMO CCOCC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157602160 197200393 /nfs/dbraw/zinc/20/03/93/197200393.db2.gz YZGDBXYMCHZVEW-ZDUSSCGKSA-N 1 1 323.393 2.589 20 5 DFBDMO CCSCC[C@H](C)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602794309 399576843 /nfs/dbraw/zinc/57/68/43/399576843.db2.gz VIGCIDTWBJQBPR-NSHDSACASA-N 1 1 300.428 2.563 20 5 DFBDMO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602797958 399578770 /nfs/dbraw/zinc/57/87/70/399578770.db2.gz DMUMVNIRAZAMAL-GFCCVEGCSA-N 1 1 318.377 2.966 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000602806129 399582411 /nfs/dbraw/zinc/58/24/11/399582411.db2.gz LVNWRPVFIAKDHO-GXSJLCMTSA-N 1 1 320.315 2.763 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000602838297 399595980 /nfs/dbraw/zinc/59/59/80/399595980.db2.gz BDNINQZPSPTTCM-GXSJLCMTSA-N 1 1 320.315 2.763 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000156530749 197121219 /nfs/dbraw/zinc/12/12/19/197121219.db2.gz ZSGMZDGXOXYUKO-PBHICJAKSA-N 1 1 314.389 2.917 20 5 DFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCc3cnccn3)C2)cc1 ZINC000602843982 399599292 /nfs/dbraw/zinc/59/92/92/399599292.db2.gz ZQZOBUKXMPJEEJ-HNNXBMFYSA-N 1 1 312.373 2.807 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000156016041 197080689 /nfs/dbraw/zinc/08/06/89/197080689.db2.gz JIDGVIHAFSHDAH-ZDUSSCGKSA-N 1 1 320.393 2.899 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000130990779 285221214 /nfs/dbraw/zinc/22/12/14/285221214.db2.gz YUMPIIHPBHKHEX-CYBMUJFWSA-N 1 1 319.386 2.655 20 5 DFBDMO Cn1cc(C2=CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000602884475 399615722 /nfs/dbraw/zinc/61/57/22/399615722.db2.gz UOEYIXGTVLKWPN-UHFFFAOYSA-N 1 1 316.336 2.757 20 5 DFBDMO Cn1cc(C2=CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000602884475 399615725 /nfs/dbraw/zinc/61/57/25/399615725.db2.gz UOEYIXGTVLKWPN-UHFFFAOYSA-N 1 1 316.336 2.757 20 5 DFBDMO CC(C)Oc1cccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000120608283 195201101 /nfs/dbraw/zinc/20/11/01/195201101.db2.gz GWIMJOWDBJONAL-UHFFFAOYSA-N 1 1 318.377 2.711 20 5 DFBDMO CN(C(=O)C[N@H+]1CCC[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000289518327 221035193 /nfs/dbraw/zinc/03/51/93/221035193.db2.gz VMSALANAFZMMIN-AWEZNQCLSA-N 1 1 317.389 2.680 20 5 DFBDMO C[N@@H+](CCC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000289987174 221362614 /nfs/dbraw/zinc/36/26/14/221362614.db2.gz ZYPPTSJGYAOVTB-UHFFFAOYSA-N 1 1 319.386 2.631 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(F)CC1 ZINC000602993294 399653018 /nfs/dbraw/zinc/65/30/18/399653018.db2.gz WSNAALSPZRSKFA-NSHDSACASA-N 1 1 309.341 2.746 20 5 DFBDMO C[C@@]1(C2CCCCC2)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000603029160 399661497 /nfs/dbraw/zinc/66/14/97/399661497.db2.gz KGEATCDHSHYDHA-KRWDZBQOSA-N 1 1 319.405 2.801 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000612790173 399724194 /nfs/dbraw/zinc/72/41/94/399724194.db2.gz ADMHZKISUMIGRV-SKDRFNHKSA-N 1 1 315.320 2.948 20 5 DFBDMO Cc1nn(CC[C@@H]2CCCC[N@@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000603324501 399745066 /nfs/dbraw/zinc/74/50/66/399745066.db2.gz GVNKOMDRJCYOAT-LBPRGKRZSA-N 1 1 303.366 2.522 20 5 DFBDMO Cc1cc(N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)ccc1[N+](=O)[O-] ZINC000603396186 399764370 /nfs/dbraw/zinc/76/43/70/399764370.db2.gz HIWIYYVKRMCRAN-CVEARBPZSA-N 1 1 319.405 2.814 20 5 DFBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC(C)(C)C ZINC000229029994 542890793 /nfs/dbraw/zinc/89/07/93/542890793.db2.gz USVASQLIGLJJRK-VIFPVBQESA-N 1 1 313.785 2.641 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[N@H+](C2CC2)CC1 ZINC000172082378 145290011 /nfs/dbraw/zinc/29/00/11/145290011.db2.gz GMIUMLUNXIJIBN-UHFFFAOYSA-N 1 1 309.797 2.918 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172956816 145325799 /nfs/dbraw/zinc/32/57/99/145325799.db2.gz FHNODJSEATUDFX-HONMWMINSA-N 1 1 303.362 2.510 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173332699 145340174 /nfs/dbraw/zinc/34/01/74/145340174.db2.gz WZOPBUCKRZHSEG-DZGCQCFKSA-N 1 1 318.377 2.685 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)C[C@H]1CCCO1 ZINC000175138843 145399607 /nfs/dbraw/zinc/39/96/07/145399607.db2.gz GQXKYGDZIGIIKB-OAHLLOKOSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)C[C@H]1CCCO1 ZINC000175138843 145399610 /nfs/dbraw/zinc/39/96/10/145399610.db2.gz GQXKYGDZIGIIKB-OAHLLOKOSA-N 1 1 308.378 2.994 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000247078775 146160350 /nfs/dbraw/zinc/16/03/50/146160350.db2.gz WXJFCFSKFXGFEH-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000248905031 146176680 /nfs/dbraw/zinc/17/66/80/146176680.db2.gz XYRGXMFEDXFOCX-CHWSQXEVSA-N 1 1 320.393 2.837 20 5 DFBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000255029009 146231245 /nfs/dbraw/zinc/23/12/45/146231245.db2.gz TVEVAJJLSAUZAJ-AJHXJQRKSA-N 1 1 303.406 2.882 20 5 DFBDMO NC(=O)CC[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255361151 146233015 /nfs/dbraw/zinc/23/30/15/146233015.db2.gz UWVMNLWVGFLMHK-HJHHMULASA-N 1 1 317.389 2.586 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000262042770 146326172 /nfs/dbraw/zinc/32/61/72/146326172.db2.gz BZOIFRNUCGWIMI-BRWVUGGUSA-N 1 1 303.406 2.995 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000262055310 146328256 /nfs/dbraw/zinc/32/82/56/146328256.db2.gz QPMOKHUZZFMCAL-UHFFFAOYSA-N 1 1 309.797 2.824 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000354405856 147025700 /nfs/dbraw/zinc/02/57/00/147025700.db2.gz RSEOQVBGAVUXHI-HIFRSBDPSA-N 1 1 319.405 2.848 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000354414920 147028288 /nfs/dbraw/zinc/02/82/88/147028288.db2.gz ZEZIFKQVDJAGMQ-WDEREUQCSA-N 1 1 311.407 2.601 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354435491 147035529 /nfs/dbraw/zinc/03/55/29/147035529.db2.gz PIQCYJGHNMNZRM-JQWIXIFHSA-N 1 1 311.407 2.601 20 5 DFBDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000354832830 147167699 /nfs/dbraw/zinc/16/76/99/147167699.db2.gz NRMLLRLIQMIIGE-NEPJUHHUSA-N 1 1 318.352 2.938 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357668512 148078185 /nfs/dbraw/zinc/07/81/85/148078185.db2.gz VYXDZOYYMMSAFJ-NEPJUHHUSA-N 1 1 306.366 2.507 20 5 DFBDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000357927995 148178777 /nfs/dbraw/zinc/17/87/77/148178777.db2.gz JUKUTVIKKRRNSA-UONOGXRCSA-N 1 1 324.425 2.707 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+]CCCCF)c1cccc([N+](=O)[O-])c1 ZINC000360997230 149002747 /nfs/dbraw/zinc/00/27/47/149002747.db2.gz BRWBQVGDXQWWCZ-AWEZNQCLSA-N 1 1 306.341 2.757 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000361042546 149015938 /nfs/dbraw/zinc/01/59/38/149015938.db2.gz LKYSYYIKFRMEQK-AWEZNQCLSA-N 1 1 323.441 2.900 20 5 DFBDMO Cc1c(Cc2noc([C@@H]3C[N@H+](C)C[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000361265814 149069957 /nfs/dbraw/zinc/06/99/57/149069957.db2.gz PMVIJLSFRJPMSQ-ZWNOBZJWSA-N 1 1 316.361 2.542 20 5 DFBDMO Cc1cc(Cc2noc([C@@H]3C[N@H+](C)C[C@H]3C)n2)ccc1[N+](=O)[O-] ZINC000361263840 149070015 /nfs/dbraw/zinc/07/00/15/149070015.db2.gz WEWJQEXFKCEDMR-DGCLKSJQSA-N 1 1 316.361 2.542 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1CO ZINC000361655307 149182126 /nfs/dbraw/zinc/18/21/26/149182126.db2.gz OXQDTALIEPHGTA-JSGCOSHPSA-N 1 1 316.357 2.915 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000361857228 149237953 /nfs/dbraw/zinc/23/79/53/149237953.db2.gz ZGHKYZWOKTVDFJ-STQMWFEESA-N 1 1 320.393 2.816 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)s1 ZINC000350886438 286097797 /nfs/dbraw/zinc/09/77/97/286097797.db2.gz SILDXJHPGGKXBZ-MRVPVSSYSA-N 1 1 317.330 2.633 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362531063 149299199 /nfs/dbraw/zinc/29/91/99/149299199.db2.gz ZIHSMZHWFKYQLS-GFCCVEGCSA-N 1 1 307.394 2.638 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362531063 149299201 /nfs/dbraw/zinc/29/92/01/149299201.db2.gz ZIHSMZHWFKYQLS-GFCCVEGCSA-N 1 1 307.394 2.638 20 5 DFBDMO CCOc1cc(NCC[N@@H+]2CCO[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000362656052 149334269 /nfs/dbraw/zinc/33/42/69/149334269.db2.gz KHTQDGNJCJBWOV-AWEZNQCLSA-N 1 1 323.393 2.516 20 5 DFBDMO CCOc1cc(NCC[N@H+]2CCO[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000362656052 149334270 /nfs/dbraw/zinc/33/42/70/149334270.db2.gz KHTQDGNJCJBWOV-AWEZNQCLSA-N 1 1 323.393 2.516 20 5 DFBDMO CCOc1cc(NCC[N@@H+]2CCO[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000362656053 149334403 /nfs/dbraw/zinc/33/44/03/149334403.db2.gz KHTQDGNJCJBWOV-CQSZACIVSA-N 1 1 323.393 2.516 20 5 DFBDMO CCOc1cc(NCC[N@H+]2CCO[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000362656053 149334405 /nfs/dbraw/zinc/33/44/05/149334405.db2.gz KHTQDGNJCJBWOV-CQSZACIVSA-N 1 1 323.393 2.516 20 5 DFBDMO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000362756814 149359873 /nfs/dbraw/zinc/35/98/73/149359873.db2.gz PLYYUOWTHKFKSV-GHMZBOCLSA-N 1 1 323.418 2.529 20 5 DFBDMO CC(=O)c1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000367713084 149634626 /nfs/dbraw/zinc/63/46/26/149634626.db2.gz PSJOHRHUZSMNOB-KGLIPLIRSA-N 1 1 303.362 2.836 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC2(C1)CCCCCC2 ZINC000371291610 150016876 /nfs/dbraw/zinc/01/68/76/150016876.db2.gz KGOMSCWWRZKEGV-UHFFFAOYSA-N 1 1 319.405 2.803 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000371307306 150019439 /nfs/dbraw/zinc/01/94/39/150019439.db2.gz CTAQALCHIPSSAC-CQSZACIVSA-N 1 1 317.389 2.964 20 5 DFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000372056567 150130681 /nfs/dbraw/zinc/13/06/81/150130681.db2.gz RJFSIPGEBKFRCY-SWLSCSKDSA-N 1 1 314.389 2.786 20 5 DFBDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000351602869 286166086 /nfs/dbraw/zinc/16/60/86/286166086.db2.gz JCKKTEADNZIMMX-WDEREUQCSA-N 1 1 324.356 2.680 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000372861711 150194248 /nfs/dbraw/zinc/19/42/48/150194248.db2.gz XPSMFCUJYCKOFM-CQSZACIVSA-N 1 1 317.389 2.964 20 5 DFBDMO COc1ccc(C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000351627301 286174298 /nfs/dbraw/zinc/17/42/98/286174298.db2.gz GCVASUWEQVPJAP-TZMCWYRMSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000373773486 150256049 /nfs/dbraw/zinc/25/60/49/150256049.db2.gz URIDONDLNBVKFA-FVQBIDKESA-N 1 1 320.389 2.849 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000373776317 150256517 /nfs/dbraw/zinc/25/65/17/150256517.db2.gz GQGNWJPEHONEDQ-OAHLLOKOSA-N 1 1 316.361 2.674 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000373776317 150256520 /nfs/dbraw/zinc/25/65/20/150256520.db2.gz GQGNWJPEHONEDQ-OAHLLOKOSA-N 1 1 316.361 2.674 20 5 DFBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000374038836 150296578 /nfs/dbraw/zinc/29/65/78/150296578.db2.gz BTONPGRJGGEQQR-HIFRSBDPSA-N 1 1 314.389 2.781 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCCn2cc[nH+]c21 ZINC000374416723 150363420 /nfs/dbraw/zinc/36/34/20/150363420.db2.gz AKTIMDOEYUXIRY-VIFPVBQESA-N 1 1 307.741 2.829 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000375034778 150389497 /nfs/dbraw/zinc/38/94/97/150389497.db2.gz DHTZPXYMBLVDGP-WFASDCNBSA-N 1 1 309.797 2.774 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCOC1 ZINC000352188516 286314860 /nfs/dbraw/zinc/31/48/60/286314860.db2.gz ZRLTZEFCXINXLA-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000352188516 286314861 /nfs/dbraw/zinc/31/48/61/286314861.db2.gz ZRLTZEFCXINXLA-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370045769 292267109 /nfs/dbraw/zinc/26/71/09/292267109.db2.gz NRWRTUPCDBHHQY-CQSZACIVSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370045769 292267113 /nfs/dbraw/zinc/26/71/13/292267113.db2.gz NRWRTUPCDBHHQY-CQSZACIVSA-N 1 1 300.362 2.974 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352367986 286355217 /nfs/dbraw/zinc/35/52/17/286355217.db2.gz RVXFJUUHCFIEKC-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352417207 286368275 /nfs/dbraw/zinc/36/82/75/286368275.db2.gz YOVPOIQONAULDB-GFCCVEGCSA-N 1 1 308.382 2.837 20 5 DFBDMO COc1cc(C[N@@H+](CCCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000352404060 286364905 /nfs/dbraw/zinc/36/49/05/286364905.db2.gz BLGCXBLQMBDAJL-UHFFFAOYSA-N 1 1 310.394 2.834 20 5 DFBDMO CC[N@@H+](CCC1CC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000355055240 158262308 /nfs/dbraw/zinc/26/23/08/158262308.db2.gz DHWUBULVKNXJFO-UHFFFAOYSA-N 1 1 305.378 2.680 20 5 DFBDMO CCOCCO[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355208868 158298311 /nfs/dbraw/zinc/29/83/11/158298311.db2.gz ICBMKZLSXGZAIE-GMNBZTITSA-N 1 1 320.389 2.735 20 5 DFBDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000357082057 158361214 /nfs/dbraw/zinc/36/12/14/158361214.db2.gz WRVQRPMQOBJTGQ-HUUCEWRRSA-N 1 1 324.425 2.707 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000358384601 158374405 /nfs/dbraw/zinc/37/44/05/158374405.db2.gz ZJBITJMHAMSJRM-UONOGXRCSA-N 1 1 319.405 2.896 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cn1 ZINC000431365657 296830157 /nfs/dbraw/zinc/83/01/57/296830157.db2.gz ZNKVCCHEQLFHIA-ZDUSSCGKSA-N 1 1 313.361 2.517 20 5 DFBDMO C[C@@H](O)C[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130757471 196106958 /nfs/dbraw/zinc/10/69/58/196106958.db2.gz HNNARZAFPYHXNS-SNVBAGLBSA-N 1 1 307.375 2.531 20 5 DFBDMO C[C@@H](O)C[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130757471 196106960 /nfs/dbraw/zinc/10/69/60/196106960.db2.gz HNNARZAFPYHXNS-SNVBAGLBSA-N 1 1 307.375 2.531 20 5 DFBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000054127893 425889487 /nfs/dbraw/zinc/88/94/87/425889487.db2.gz WCJARUAJWMODLS-UHFFFAOYSA-N 1 1 302.172 2.721 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295620749 225054302 /nfs/dbraw/zinc/05/43/02/225054302.db2.gz OJYSWVAOCLKESH-IUODEOHRSA-N 1 1 321.377 2.818 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295620749 225054305 /nfs/dbraw/zinc/05/43/05/225054305.db2.gz OJYSWVAOCLKESH-IUODEOHRSA-N 1 1 321.377 2.818 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000295576105 225004983 /nfs/dbraw/zinc/00/49/83/225004983.db2.gz BCAMYGNWFUKRJV-CYBMUJFWSA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000295576105 225004985 /nfs/dbraw/zinc/00/49/85/225004985.db2.gz BCAMYGNWFUKRJV-CYBMUJFWSA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000295576105 225004987 /nfs/dbraw/zinc/00/49/87/225004987.db2.gz BCAMYGNWFUKRJV-CYBMUJFWSA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296592292 226029200 /nfs/dbraw/zinc/02/92/00/226029200.db2.gz GPZQOTQSKSVFDS-YHWZYXNKSA-N 1 1 318.377 2.650 20 5 DFBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](C)OC ZINC000291145295 222171616 /nfs/dbraw/zinc/17/16/16/222171616.db2.gz DEDDHDNKZRZUCX-LLVKDONJSA-N 1 1 320.349 2.502 20 5 DFBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](C)OC ZINC000291145295 222171619 /nfs/dbraw/zinc/17/16/19/222171619.db2.gz DEDDHDNKZRZUCX-LLVKDONJSA-N 1 1 320.349 2.502 20 5 DFBDMO Cc1cccc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302507683 230274639 /nfs/dbraw/zinc/27/46/39/230274639.db2.gz RGENSXNKABNGRD-OKILXGFUSA-N 1 1 307.394 2.814 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000302611728 230318612 /nfs/dbraw/zinc/31/86/12/230318612.db2.gz BPSJPERBBDIDTR-CYBMUJFWSA-N 1 1 316.361 2.673 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000066531606 425904761 /nfs/dbraw/zinc/90/47/61/425904761.db2.gz LSENMNMVHRHJHH-BETUJISGSA-N 1 1 317.389 2.747 20 5 DFBDMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000068366463 425917475 /nfs/dbraw/zinc/91/74/75/425917475.db2.gz VKDJRUPGQXZPQR-UHFFFAOYSA-N 1 1 317.345 2.957 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000009997903 425696685 /nfs/dbraw/zinc/69/66/85/425696685.db2.gz DWMPXYDNIBAVSC-TXEJJXNPSA-N 1 1 321.377 2.805 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000009997903 425696688 /nfs/dbraw/zinc/69/66/88/425696688.db2.gz DWMPXYDNIBAVSC-TXEJJXNPSA-N 1 1 321.377 2.805 20 5 DFBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000026476508 425811843 /nfs/dbraw/zinc/81/18/43/425811843.db2.gz FPUVFLYGZCSOJR-BXUZGUMPSA-N 1 1 305.378 2.704 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc3ccccn31)CCC2 ZINC000193274305 268063010 /nfs/dbraw/zinc/06/30/10/268063010.db2.gz HNFSELDLDDWEEX-OAHLLOKOSA-N 1 1 323.356 2.805 20 5 DFBDMO C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406575 425869588 /nfs/dbraw/zinc/86/95/88/425869588.db2.gz ORWJNTFMTOCCNX-NSHDSACASA-N 1 1 302.334 2.877 20 5 DFBDMO CCC[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000270772864 268214623 /nfs/dbraw/zinc/21/46/23/268214623.db2.gz MHLVLNRBOVSROJ-UHFFFAOYSA-N 1 1 309.366 2.664 20 5 DFBDMO CCC[N@@H+](CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000270779100 268215797 /nfs/dbraw/zinc/21/57/97/268215797.db2.gz OGOGYHNOQRDGIM-LLVKDONJSA-N 1 1 309.366 2.662 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCC2OCCCO2)C2CC2)cc1 ZINC000270901074 268232105 /nfs/dbraw/zinc/23/21/05/268232105.db2.gz OPYQQPFDMMNJGD-UHFFFAOYSA-N 1 1 306.362 2.712 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+](C)Cc1ccccc1 ZINC000288178412 268278139 /nfs/dbraw/zinc/27/81/39/268278139.db2.gz QVQKMQVVTBABOF-UHFFFAOYSA-N 1 1 317.393 2.664 20 5 DFBDMO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000330584994 268353688 /nfs/dbraw/zinc/35/36/88/268353688.db2.gz UBTSMLJBMCATFK-UHFFFAOYSA-N 1 1 319.405 2.608 20 5 DFBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000049963471 425881053 /nfs/dbraw/zinc/88/10/53/425881053.db2.gz LGGBWYJOQYSYCW-LLVKDONJSA-N 1 1 309.797 2.822 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000125189523 425957142 /nfs/dbraw/zinc/95/71/42/425957142.db2.gz MYLAVQKWKACNEM-XJKSGUPXSA-N 1 1 322.405 2.975 20 5 DFBDMO Cc1cccc(C(=O)NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000104573305 425964850 /nfs/dbraw/zinc/96/48/50/425964850.db2.gz FNPCWDBUMGEWQR-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000106869275 425976985 /nfs/dbraw/zinc/97/69/85/425976985.db2.gz ZZXHVDOVHFUPKJ-ZDUSSCGKSA-N 1 1 321.377 2.694 20 5 DFBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000106869275 425976986 /nfs/dbraw/zinc/97/69/86/425976986.db2.gz ZZXHVDOVHFUPKJ-ZDUSSCGKSA-N 1 1 321.377 2.694 20 5 DFBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000106879519 425978826 /nfs/dbraw/zinc/97/88/26/425978826.db2.gz IDMJZIOLRMRBIW-CQSZACIVSA-N 1 1 317.345 2.513 20 5 DFBDMO Cc1nc(C2([NH2+]CCc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000161596087 426030776 /nfs/dbraw/zinc/03/07/76/426030776.db2.gz PQLFMBYEGHZXKS-UHFFFAOYSA-N 1 1 316.361 2.888 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1CCC1 ZINC000111297498 426044473 /nfs/dbraw/zinc/04/44/73/426044473.db2.gz HHRWZIGGEMFFGN-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCC1 ZINC000111297420 426044984 /nfs/dbraw/zinc/04/49/84/426044984.db2.gz SZZYWZAAORKAMZ-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000161927213 426046549 /nfs/dbraw/zinc/04/65/49/426046549.db2.gz KRXAVNTZGIDWOM-AWEZNQCLSA-N 1 1 319.405 2.611 20 5 DFBDMO Cc1nn(C)c(C)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111363427 426048198 /nfs/dbraw/zinc/04/81/98/426048198.db2.gz HBVKVCCALFRBFY-UHFFFAOYSA-N 1 1 308.769 2.888 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000112309026 426072446 /nfs/dbraw/zinc/07/24/46/426072446.db2.gz KDRVXRNNTYYIKX-UHFFFAOYSA-N 1 1 318.377 2.538 20 5 DFBDMO CN(CCOc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@H+]1C ZINC000075861161 426088095 /nfs/dbraw/zinc/08/80/95/426088095.db2.gz JDDTVYQBRXNXKL-HNNXBMFYSA-N 1 1 321.421 2.780 20 5 DFBDMO C[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000076511946 426114762 /nfs/dbraw/zinc/11/47/62/426114762.db2.gz CWTZFQZJVVGZMO-UHFFFAOYSA-N 1 1 320.393 2.981 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128551229 426122424 /nfs/dbraw/zinc/12/24/24/426122424.db2.gz YOIQWVGMRLTYSA-WBVHZDCISA-N 1 1 304.390 2.764 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC000129897057 426141363 /nfs/dbraw/zinc/14/13/63/426141363.db2.gz JDOHXZDHAAELFY-UHFFFAOYSA-N 1 1 317.389 2.850 20 5 DFBDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000114729575 426145258 /nfs/dbraw/zinc/14/52/58/426145258.db2.gz VTZUYQXAWPLSQT-CYBMUJFWSA-N 1 1 319.405 2.952 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c(F)c1 ZINC000131685917 426166502 /nfs/dbraw/zinc/16/65/02/426166502.db2.gz UXGWTIWKQVGKSS-HNNXBMFYSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c(F)c1 ZINC000131685917 426166503 /nfs/dbraw/zinc/16/65/03/426166503.db2.gz UXGWTIWKQVGKSS-HNNXBMFYSA-N 1 1 317.320 2.782 20 5 DFBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116294143 426185912 /nfs/dbraw/zinc/18/59/12/426185912.db2.gz HJNMLYAXEZVVSM-ZDUSSCGKSA-N 1 1 315.329 2.624 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116294143 426185915 /nfs/dbraw/zinc/18/59/15/426185915.db2.gz HJNMLYAXEZVVSM-ZDUSSCGKSA-N 1 1 315.329 2.624 20 5 DFBDMO CS[C@H]1CCCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000134552279 426187494 /nfs/dbraw/zinc/18/74/94/426187494.db2.gz TWMMCMIDYSLVQK-LBPRGKRZSA-N 1 1 323.418 2.751 20 5 DFBDMO CS[C@H]1CCCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000134552279 426187495 /nfs/dbraw/zinc/18/74/95/426187495.db2.gz TWMMCMIDYSLVQK-LBPRGKRZSA-N 1 1 323.418 2.751 20 5 DFBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135617771 426225251 /nfs/dbraw/zinc/22/52/51/426225251.db2.gz PTVHVVDNTVLSNH-MRXNPFEDSA-N 1 1 314.389 2.880 20 5 DFBDMO Cc1cccc2[nH+]c(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)cn21 ZINC000118175198 426229221 /nfs/dbraw/zinc/22/92/21/426229221.db2.gz QEIAHKMCMVZRBX-UHFFFAOYSA-N 1 1 324.296 2.507 20 5 DFBDMO Cc1nccn1CCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000136292167 426238177 /nfs/dbraw/zinc/23/81/77/426238177.db2.gz BRJALGDLEYMBRX-UHFFFAOYSA-N 1 1 302.378 2.664 20 5 DFBDMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000174010367 426251121 /nfs/dbraw/zinc/25/11/21/426251121.db2.gz BMIBANWEPMOYJI-STQMWFEESA-N 1 1 317.389 2.604 20 5 DFBDMO C[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000174459319 426257418 /nfs/dbraw/zinc/25/74/18/426257418.db2.gz UYIHGQYQWFAVHI-UHFFFAOYSA-N 1 1 317.389 2.685 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3CO)o2)cc1 ZINC000119272399 426274800 /nfs/dbraw/zinc/27/48/00/426274800.db2.gz MSPGIAKCTNBBEO-AWEZNQCLSA-N 1 1 302.330 2.812 20 5 DFBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000174990092 426272203 /nfs/dbraw/zinc/27/22/03/426272203.db2.gz YAUYBQQTRUFVFG-QWHCGFSZSA-N 1 1 323.418 2.744 20 5 DFBDMO CC[C@@H](C)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341017 426211294 /nfs/dbraw/zinc/21/12/94/426211294.db2.gz DMECEFCOSUIJFQ-GFCCVEGCSA-N 1 1 321.377 2.871 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccc(Cl)cc3C2)n1 ZINC000090615339 426328813 /nfs/dbraw/zinc/32/88/13/426328813.db2.gz GFULQNUISXWZSF-UHFFFAOYSA-N 1 1 306.753 2.503 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccc(Cl)cc3C2)n1 ZINC000090615339 426328817 /nfs/dbraw/zinc/32/88/17/426328817.db2.gz GFULQNUISXWZSF-UHFFFAOYSA-N 1 1 306.753 2.503 20 5 DFBDMO Cc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000153774825 426405836 /nfs/dbraw/zinc/40/58/36/426405836.db2.gz FJLQTUFBBQCUIC-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153042379 426368582 /nfs/dbraw/zinc/36/85/82/426368582.db2.gz UXCKISWTQLZYSI-BETUJISGSA-N 1 1 303.362 2.574 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000153813941 426408284 /nfs/dbraw/zinc/40/82/84/426408284.db2.gz UVAZISFKUBEPAE-CYBMUJFWSA-N 1 1 320.393 2.757 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123298784 426425511 /nfs/dbraw/zinc/42/55/11/426425511.db2.gz DIDZDWUJYSNJDN-GXTWGEPZSA-N 1 1 307.394 2.518 20 5 DFBDMO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000177084032 426443048 /nfs/dbraw/zinc/44/30/48/426443048.db2.gz ZHFPIUVZHBFZRX-JSGCOSHPSA-N 1 1 318.377 2.604 20 5 DFBDMO C[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177111040 426445071 /nfs/dbraw/zinc/44/50/71/426445071.db2.gz DQZJJSRZTJATDI-ONGXEEELSA-N 1 1 323.780 2.603 20 5 DFBDMO COC1CC[NH+](C(C)(C)CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000341296172 269063293 /nfs/dbraw/zinc/06/32/93/269063293.db2.gz STYYXPKQYYSKAV-UHFFFAOYSA-N 1 1 321.421 2.574 20 5 DFBDMO CCc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177196702 426453334 /nfs/dbraw/zinc/45/33/34/426453334.db2.gz WFPVOPHPEPBIOQ-RISCZKNCSA-N 1 1 317.389 2.512 20 5 DFBDMO CCc1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177196672 426452587 /nfs/dbraw/zinc/45/25/87/426452587.db2.gz WFPVOPHPEPBIOQ-FZMZJTMJSA-N 1 1 317.389 2.512 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000177245499 426459371 /nfs/dbraw/zinc/45/93/71/426459371.db2.gz AIDJVTRODJOKBM-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000177769618 426518263 /nfs/dbraw/zinc/51/82/63/426518263.db2.gz KHIXFHZSHSNOIQ-MRXNPFEDSA-N 1 1 319.405 2.534 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000177769618 426518266 /nfs/dbraw/zinc/51/82/66/426518266.db2.gz KHIXFHZSHSNOIQ-MRXNPFEDSA-N 1 1 319.405 2.534 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000177814600 426525209 /nfs/dbraw/zinc/52/52/09/426525209.db2.gz RRVROFDXTXEVLT-HIFRSBDPSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000177870014 426533285 /nfs/dbraw/zinc/53/32/85/426533285.db2.gz KAHTVVZBYJFVQW-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195083929 426499998 /nfs/dbraw/zinc/49/99/98/426499998.db2.gz GXBYRQNDHBFCBG-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195083929 426500001 /nfs/dbraw/zinc/50/00/01/426500001.db2.gz GXBYRQNDHBFCBG-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195091868 426500763 /nfs/dbraw/zinc/50/07/63/426500763.db2.gz ZVGMYEPOHHRVNT-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195091868 426500765 /nfs/dbraw/zinc/50/07/65/426500765.db2.gz ZVGMYEPOHHRVNT-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC000273057593 426583632 /nfs/dbraw/zinc/58/36/32/426583632.db2.gz YBJQMZIYZCMXPS-JTQLQIEISA-N 1 1 323.780 2.628 20 5 DFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000265167485 426590066 /nfs/dbraw/zinc/59/00/66/426590066.db2.gz CYYCPLDNGGHULA-CABCVRRESA-N 1 1 308.378 2.729 20 5 DFBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273112713 426595257 /nfs/dbraw/zinc/59/52/57/426595257.db2.gz GNNRJFGUIVGIKP-MGPQQGTHSA-N 1 1 308.378 2.597 20 5 DFBDMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000178320947 426605582 /nfs/dbraw/zinc/60/55/82/426605582.db2.gz NZJHIYKXEOBGFP-INIZCTEOSA-N 1 1 300.362 2.764 20 5 DFBDMO CC(C)(C)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280590490 426608452 /nfs/dbraw/zinc/60/84/52/426608452.db2.gz UEOPTOBFTDRYJZ-ZDUSSCGKSA-N 1 1 307.394 2.515 20 5 DFBDMO C[N@H+]1CCC[C@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000227759098 426631384 /nfs/dbraw/zinc/63/13/84/426631384.db2.gz XBCRRAQRVHSUCE-JTQLQIEISA-N 1 1 314.183 2.863 20 5 DFBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1=CC[N@@H+](C)CC1 ZINC000273374878 426654010 /nfs/dbraw/zinc/65/40/10/426654010.db2.gz HLWZWXZMFNABHO-SNVBAGLBSA-N 1 1 322.340 2.506 20 5 DFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273484197 426672440 /nfs/dbraw/zinc/67/24/40/426672440.db2.gz RCWMZPIMIUJXEU-NSHDSACASA-N 1 1 324.356 2.539 20 5 DFBDMO C[C@H]1CCCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000187936938 426708160 /nfs/dbraw/zinc/70/81/60/426708160.db2.gz HRCVJEFCNOWBOY-ZDUSSCGKSA-N 1 1 317.389 2.606 20 5 DFBDMO CCOc1cccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000273898299 426713193 /nfs/dbraw/zinc/71/31/93/426713193.db2.gz VIBPYFJVSKZYDR-ZIAGYGMSSA-N 1 1 319.405 2.914 20 5 DFBDMO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@@H+](C)C1 ZINC000266048326 426720686 /nfs/dbraw/zinc/72/06/86/426720686.db2.gz CFCQKOUBPJLDNH-CYBMUJFWSA-N 1 1 317.345 2.507 20 5 DFBDMO CCc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000266868113 426785865 /nfs/dbraw/zinc/78/58/65/426785865.db2.gz JHDGDKJADKTPIF-GJZGRUSLSA-N 1 1 317.389 2.514 20 5 DFBDMO COc1cc(C[N@@H+]2CCCSCC2)c([N+](=O)[O-])cc1F ZINC000274352151 426751116 /nfs/dbraw/zinc/75/11/16/426751116.db2.gz XBWLCOCXKYDHFU-UHFFFAOYSA-N 1 1 300.355 2.681 20 5 DFBDMO COc1cc(C[N@H+]2CCCSCC2)c([N+](=O)[O-])cc1F ZINC000274352151 426751119 /nfs/dbraw/zinc/75/11/19/426751119.db2.gz XBWLCOCXKYDHFU-UHFFFAOYSA-N 1 1 300.355 2.681 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000245690268 426762941 /nfs/dbraw/zinc/76/29/41/426762941.db2.gz LOFFZIVYFXCFCG-JQWIXIFHSA-N 1 1 323.780 2.557 20 5 DFBDMO Cc1nc(CC[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])no1 ZINC000266950692 426802162 /nfs/dbraw/zinc/80/21/62/426802162.db2.gz ZQGXQARWKHHJCR-UHFFFAOYSA-N 1 1 310.741 2.614 20 5 DFBDMO Cc1nc(CC[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])no1 ZINC000266950692 426802165 /nfs/dbraw/zinc/80/21/65/426802165.db2.gz ZQGXQARWKHHJCR-UHFFFAOYSA-N 1 1 310.741 2.614 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290646618 426812979 /nfs/dbraw/zinc/81/29/79/426812979.db2.gz OIJCBARDNRGIGV-NSHDSACASA-N 1 1 311.382 2.754 20 5 DFBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000267030775 426813491 /nfs/dbraw/zinc/81/34/91/426813491.db2.gz BCTIHBFXJQTTAS-UHFFFAOYSA-N 1 1 306.341 2.841 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[N@H+](C2CC2)CC1 ZINC000179728707 426815305 /nfs/dbraw/zinc/81/53/05/426815305.db2.gz FWYJPAYJDQGNDO-ZZXKWVIFSA-N 1 1 301.390 2.778 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000267100184 426823873 /nfs/dbraw/zinc/82/38/73/426823873.db2.gz SZSRXDXDKUAAGL-AWEZNQCLSA-N 1 1 304.325 2.768 20 5 DFBDMO CO[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000189312855 426839585 /nfs/dbraw/zinc/83/95/85/426839585.db2.gz ZLRDMAOZEWSQLX-CJNGLKHVSA-N 1 1 308.378 2.721 20 5 DFBDMO COc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000290800018 426840481 /nfs/dbraw/zinc/84/04/81/426840481.db2.gz POPBYVFNBLHRLU-VHSXEESVSA-N 1 1 309.341 2.780 20 5 DFBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000267217435 426848591 /nfs/dbraw/zinc/84/85/91/426848591.db2.gz NBJTWJQWXHELCG-NSHDSACASA-N 1 1 321.768 2.817 20 5 DFBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000246676563 426853693 /nfs/dbraw/zinc/85/36/93/426853693.db2.gz LOIOEGOXVYSCFD-OLZOCXBDSA-N 1 1 305.378 2.901 20 5 DFBDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246677340 426853720 /nfs/dbraw/zinc/85/37/20/426853720.db2.gz BXAYLOORJHANHY-ZFWWWQNUSA-N 1 1 322.409 2.539 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000266912190 426793825 /nfs/dbraw/zinc/79/38/25/426793825.db2.gz DLLQSYNRFSIBQR-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000266908927 426794300 /nfs/dbraw/zinc/79/43/00/426794300.db2.gz KQEOEPVDNRJSAO-UHFFFAOYSA-N 1 1 306.341 2.841 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000275797488 426922018 /nfs/dbraw/zinc/92/20/18/426922018.db2.gz SMKJQZBTOKZBJS-LBPRGKRZSA-N 1 1 318.377 2.675 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000295225257 426869576 /nfs/dbraw/zinc/86/95/76/426869576.db2.gz WEXOHMDDGKWJFC-LBPRGKRZSA-N 1 1 310.394 2.973 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246847298 426872003 /nfs/dbraw/zinc/87/20/03/426872003.db2.gz QZNZAIXECNWOFZ-QWHCGFSZSA-N 1 1 320.393 2.850 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267506453 426882144 /nfs/dbraw/zinc/88/21/44/426882144.db2.gz AICBJZKBCSINHH-YPMHNXCESA-N 1 1 320.349 2.566 20 5 DFBDMO COc1cc(NCCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000268216949 426952745 /nfs/dbraw/zinc/95/27/45/426952745.db2.gz RRUYWUONTNKZMA-UHFFFAOYSA-N 1 1 308.313 2.750 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC000247984152 426972790 /nfs/dbraw/zinc/97/27/90/426972790.db2.gz KERUNMRQUQEJGG-INIZCTEOSA-N 1 1 322.405 2.989 20 5 DFBDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000283247006 426983744 /nfs/dbraw/zinc/98/37/44/426983744.db2.gz VBEGFULHGZDRPL-DZGCQCFKSA-N 1 1 307.369 2.650 20 5 DFBDMO COc1cc(NCCCn2cc[nH+]c2C)c(F)cc1[N+](=O)[O-] ZINC000337819298 426984386 /nfs/dbraw/zinc/98/43/86/426984386.db2.gz QALXUMFZJNNPCO-UHFFFAOYSA-N 1 1 308.313 2.750 20 5 DFBDMO CN1CCC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000248178077 426985540 /nfs/dbraw/zinc/98/55/40/426985540.db2.gz VYVRQRHPWBHUCT-RHSMWYFYSA-N 1 1 317.433 2.847 20 5 DFBDMO CCOCCOCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000276136195 426992616 /nfs/dbraw/zinc/99/26/16/426992616.db2.gz DJZLSOBZMACQSN-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO CCOCCOCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000276136195 426992625 /nfs/dbraw/zinc/99/26/25/426992625.db2.gz DJZLSOBZMACQSN-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+](C2CCC2)C1 ZINC000291619246 426928344 /nfs/dbraw/zinc/92/83/44/426928344.db2.gz AQTXKCRLNYQZGB-NSHDSACASA-N 1 1 322.384 2.627 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)CC(F)(F)F)C1CC1 ZINC000189731974 426936278 /nfs/dbraw/zinc/93/62/78/426936278.db2.gz CRGHUDSOJXJKIU-LBPRGKRZSA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000182340206 427058068 /nfs/dbraw/zinc/05/80/68/427058068.db2.gz UOCLELUEHJFVSU-CQSZACIVSA-N 1 1 309.797 2.918 20 5 DFBDMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248474807 427004276 /nfs/dbraw/zinc/00/42/76/427004276.db2.gz XKCUPFJRUCXHOM-HUUCEWRRSA-N 1 1 322.405 2.989 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000291854661 427007970 /nfs/dbraw/zinc/00/79/70/427007970.db2.gz IDPOJZUVMNIHCA-SNVBAGLBSA-N 1 1 313.785 2.707 20 5 DFBDMO Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000248571057 427016017 /nfs/dbraw/zinc/01/60/17/427016017.db2.gz MBBXAHKKFVPURB-JSGCOSHPSA-N 1 1 320.393 2.850 20 5 DFBDMO CCn1cc([C@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])cn1 ZINC000295945630 427023883 /nfs/dbraw/zinc/02/38/83/427023883.db2.gz GRZBNRVSFZUFHJ-JTQLQIEISA-N 1 1 322.340 2.810 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268510361 427037306 /nfs/dbraw/zinc/03/73/06/427037306.db2.gz UOSSGXWOSYELPS-FZMZJTMJSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268510361 427037315 /nfs/dbraw/zinc/03/73/15/427037315.db2.gz UOSSGXWOSYELPS-FZMZJTMJSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268510361 427037320 /nfs/dbraw/zinc/03/73/20/427037320.db2.gz UOSSGXWOSYELPS-FZMZJTMJSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268510361 427037327 /nfs/dbraw/zinc/03/73/27/427037327.db2.gz UOSSGXWOSYELPS-FZMZJTMJSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268510361 427037334 /nfs/dbraw/zinc/03/73/34/427037334.db2.gz UOSSGXWOSYELPS-FZMZJTMJSA-N 1 1 315.377 2.962 20 5 DFBDMO CS[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042519 427053608 /nfs/dbraw/zinc/05/36/08/427053608.db2.gz AOGWSRZKICWSSA-NWDGAFQWSA-N 1 1 323.418 2.668 20 5 DFBDMO CS[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042519 427053614 /nfs/dbraw/zinc/05/36/14/427053614.db2.gz AOGWSRZKICWSSA-NWDGAFQWSA-N 1 1 323.418 2.668 20 5 DFBDMO COc1ccc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296069606 427067282 /nfs/dbraw/zinc/06/72/82/427067282.db2.gz PTIOQGIYEKYJPP-ZDUSSCGKSA-N 1 1 319.405 2.520 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC000190309609 427070401 /nfs/dbraw/zinc/07/04/01/427070401.db2.gz HWVCMJKCQFFGEC-UHFFFAOYSA-N 1 1 318.402 2.764 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000283777868 427075038 /nfs/dbraw/zinc/07/50/38/427075038.db2.gz PWIXZAJNQRKTST-ZDUSSCGKSA-N 1 1 305.378 2.575 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249005117 427075356 /nfs/dbraw/zinc/07/53/56/427075356.db2.gz SXULAUKJIIZIOL-STQMWFEESA-N 1 1 320.393 2.850 20 5 DFBDMO CO[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296127208 427082647 /nfs/dbraw/zinc/08/26/47/427082647.db2.gz SCDKHXFLADTFAT-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276560028 427098736 /nfs/dbraw/zinc/09/87/36/427098736.db2.gz GFPXGMHMKRQNKD-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)c2cccnc2)C2CC2)cc1 ZINC000296223301 427116557 /nfs/dbraw/zinc/11/65/57/427116557.db2.gz GYFCDGMJJNKRCH-KRWDZBQOSA-N 1 1 313.357 2.688 20 5 DFBDMO C[C@H]1CSCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000190466100 427116730 /nfs/dbraw/zinc/11/67/30/427116730.db2.gz WEBISFNFXAQCOC-GFCCVEGCSA-N 1 1 323.418 2.608 20 5 DFBDMO COCC(C)(C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000292195834 427127322 /nfs/dbraw/zinc/12/73/22/427127322.db2.gz RUPADFJNRMGOCQ-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO COCC(C)(C)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000292195834 427127328 /nfs/dbraw/zinc/12/73/28/427127328.db2.gz RUPADFJNRMGOCQ-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO CC1(C)C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000190559985 427137644 /nfs/dbraw/zinc/13/76/44/427137644.db2.gz UMAWSCPIWXPTBC-CQSZACIVSA-N 1 1 308.378 2.518 20 5 DFBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000292227547 427137938 /nfs/dbraw/zinc/13/79/38/427137938.db2.gz CBSWGRIDSGPFGO-NSHDSACASA-N 1 1 323.418 2.603 20 5 DFBDMO C[C@H]1C[C@@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000284133849 427138623 /nfs/dbraw/zinc/13/86/23/427138623.db2.gz PVEDWHHXYQLNNC-QWRGUYRKSA-N 1 1 313.348 2.788 20 5 DFBDMO COCC(C)(C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000292251462 427147189 /nfs/dbraw/zinc/14/71/89/427147189.db2.gz XTSAJEDPBOOBOY-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO COCC(C)(C)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000292251462 427147195 /nfs/dbraw/zinc/14/71/95/427147195.db2.gz XTSAJEDPBOOBOY-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000171648307 271106192 /nfs/dbraw/zinc/10/61/92/271106192.db2.gz QPDNWTUNTDXXHD-OAHLLOKOSA-N 1 1 312.373 2.924 20 5 DFBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1Cl ZINC000174852913 271140907 /nfs/dbraw/zinc/14/09/07/271140907.db2.gz YDRRWHRODXITGK-UHFFFAOYSA-N 1 1 312.732 2.716 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1Cl ZINC000174852913 271140909 /nfs/dbraw/zinc/14/09/09/271140909.db2.gz YDRRWHRODXITGK-UHFFFAOYSA-N 1 1 312.732 2.716 20 5 DFBDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284254378 427166047 /nfs/dbraw/zinc/16/60/47/427166047.db2.gz VVJSULNDQLKIAY-KBPBESRZSA-N 1 1 320.437 2.948 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000284254378 427166051 /nfs/dbraw/zinc/16/60/51/427166051.db2.gz VVJSULNDQLKIAY-KBPBESRZSA-N 1 1 320.437 2.948 20 5 DFBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000272441279 271317591 /nfs/dbraw/zinc/31/75/91/271317591.db2.gz BDPWUQQXXUDRJQ-DZGCQCFKSA-N 1 1 308.378 2.586 20 5 DFBDMO Cn1nccc1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000284353424 427189821 /nfs/dbraw/zinc/18/98/21/427189821.db2.gz KFTKMZDNKZCLAN-UHFFFAOYSA-N 1 1 300.362 2.535 20 5 DFBDMO C[N@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292710020 427197284 /nfs/dbraw/zinc/19/72/84/427197284.db2.gz GSXYOHPYJZCGDQ-AWEZNQCLSA-N 1 1 310.785 2.565 20 5 DFBDMO CC(C)[C@@]1(CO)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000293157470 427229667 /nfs/dbraw/zinc/22/96/67/427229667.db2.gz UOJUBTGAQJKUJU-KRWDZBQOSA-N 1 1 322.405 2.704 20 5 DFBDMO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285598280 427286127 /nfs/dbraw/zinc/28/61/27/427286127.db2.gz LFSBZPMJGTVOAQ-IUCAKERBSA-N 1 1 316.304 2.550 20 5 DFBDMO Cc1ccc(C[NH2+][C@@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000285488663 427245456 /nfs/dbraw/zinc/24/54/56/427245456.db2.gz LWMDCCCBMMCPJX-CQSZACIVSA-N 1 1 303.366 2.519 20 5 DFBDMO CCOC1CC2(C1)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000285480801 427245671 /nfs/dbraw/zinc/24/56/71/427245671.db2.gz LNSMRHKTSYXSLP-UHFFFAOYSA-N 1 1 320.389 2.865 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330671058 427286622 /nfs/dbraw/zinc/28/66/22/427286622.db2.gz MJYOJMIOWKQFMH-JSGCOSHPSA-N 1 1 307.394 2.566 20 5 DFBDMO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285598277 427286735 /nfs/dbraw/zinc/28/67/35/427286735.db2.gz LFSBZPMJGTVOAQ-DTWKUNHWSA-N 1 1 316.304 2.550 20 5 DFBDMO CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338353045 427271107 /nfs/dbraw/zinc/27/11/07/427271107.db2.gz XEYPAQXXSNZQEI-CQSZACIVSA-N 1 1 321.421 2.620 20 5 DFBDMO COc1cc(C)[nH+]c(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000270370444 427335752 /nfs/dbraw/zinc/33/57/52/427335752.db2.gz ZGUJTHYTBQXMEL-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277878879 427349031 /nfs/dbraw/zinc/34/90/31/427349031.db2.gz VEQVSAJGGOWLOQ-WCQYABFASA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277878879 427349034 /nfs/dbraw/zinc/34/90/34/427349034.db2.gz VEQVSAJGGOWLOQ-WCQYABFASA-N 1 1 318.295 2.730 20 5 DFBDMO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000331121300 427350512 /nfs/dbraw/zinc/35/05/12/427350512.db2.gz PPGIGWOWMXTGNL-HZSPNIEDSA-N 1 1 319.405 2.953 20 5 DFBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000191240846 427295260 /nfs/dbraw/zinc/29/52/60/427295260.db2.gz BWOWTZOMFXXPHI-UHFFFAOYSA-N 1 1 301.346 2.638 20 5 DFBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000191240846 427295271 /nfs/dbraw/zinc/29/52/71/427295271.db2.gz BWOWTZOMFXXPHI-UHFFFAOYSA-N 1 1 301.346 2.638 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc2ccccn12 ZINC000338390978 427297259 /nfs/dbraw/zinc/29/72/59/427297259.db2.gz YVDCGEQQUMJANP-UHFFFAOYSA-N 1 1 310.357 2.917 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000297280600 427383633 /nfs/dbraw/zinc/38/36/33/427383633.db2.gz XHIGUKQWBQHDMJ-NHYWBVRUSA-N 1 1 317.393 2.638 20 5 DFBDMO CO[C@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000338571129 427386330 /nfs/dbraw/zinc/38/63/30/427386330.db2.gz OJJPVKQQHRVSNB-QGZVFWFLSA-N 1 1 313.357 2.736 20 5 DFBDMO CO[C@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000338571129 427386336 /nfs/dbraw/zinc/38/63/36/427386336.db2.gz OJJPVKQQHRVSNB-QGZVFWFLSA-N 1 1 313.357 2.736 20 5 DFBDMO CC(C)C[C@]1(CO)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000191639571 427394635 /nfs/dbraw/zinc/39/46/35/427394635.db2.gz SQYWKXBEBYZAEJ-KRWDZBQOSA-N 1 1 322.405 2.847 20 5 DFBDMO CCOc1cccc(N(C)C[C@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000184129266 427397143 /nfs/dbraw/zinc/39/71/43/427397143.db2.gz BWXNYKXEFQJIBD-CYBMUJFWSA-N 1 1 307.394 2.914 20 5 DFBDMO C[C@H]1C[C@@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000286025417 427405155 /nfs/dbraw/zinc/40/51/55/427405155.db2.gz ARCGKADGBKZMFB-UWVGGRQHSA-N 1 1 321.406 2.518 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c(F)c1 ZINC000286030233 427406780 /nfs/dbraw/zinc/40/67/80/427406780.db2.gz PUNRQMFSJOQCDQ-SNVBAGLBSA-N 1 1 312.316 2.874 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(F)c1 ZINC000286030233 427406791 /nfs/dbraw/zinc/40/67/91/427406791.db2.gz PUNRQMFSJOQCDQ-SNVBAGLBSA-N 1 1 312.316 2.874 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000271236821 427461534 /nfs/dbraw/zinc/46/15/34/427461534.db2.gz NKZNPRPZWYPDDT-QGZVFWFLSA-N 1 1 316.332 2.826 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000271236821 427461540 /nfs/dbraw/zinc/46/15/40/427461540.db2.gz NKZNPRPZWYPDDT-QGZVFWFLSA-N 1 1 316.332 2.826 20 5 DFBDMO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000278849892 427476647 /nfs/dbraw/zinc/47/66/47/427476647.db2.gz VOFMTOSLYZFCKF-SNVBAGLBSA-N 1 1 304.302 2.825 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000184267160 427427171 /nfs/dbraw/zinc/42/71/71/427427171.db2.gz PKGWLOAQFMXRTG-AWEZNQCLSA-N 1 1 314.357 2.581 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000338679231 427435864 /nfs/dbraw/zinc/43/58/64/427435864.db2.gz APCVHKRWNHQMAL-NSHDSACASA-N 1 1 302.334 2.789 20 5 DFBDMO C[C@@]1(CCCO)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000271183206 427436603 /nfs/dbraw/zinc/43/66/03/427436603.db2.gz IHEVJANRHDSESA-INIZCTEOSA-N 1 1 308.378 2.601 20 5 DFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)[N@@H+]1C ZINC000338797430 427494078 /nfs/dbraw/zinc/49/40/78/427494078.db2.gz YWFISWCXQKTIMY-AOOOYVTPSA-N 1 1 315.320 2.725 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192176074 427494747 /nfs/dbraw/zinc/49/47/47/427494747.db2.gz IRJBYYGIPUEROD-GFCCVEGCSA-N 1 1 323.418 2.751 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332065517 427501956 /nfs/dbraw/zinc/50/19/56/427501956.db2.gz SKWWVWGPMKHLBF-ZDUSSCGKSA-N 1 1 317.389 2.748 20 5 DFBDMO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332243225 427554726 /nfs/dbraw/zinc/55/47/26/427554726.db2.gz SCZQFXPWJKTROW-VXGBXAGGSA-N 1 1 318.377 2.597 20 5 DFBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332243225 427554730 /nfs/dbraw/zinc/55/47/30/427554730.db2.gz SCZQFXPWJKTROW-VXGBXAGGSA-N 1 1 318.377 2.597 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286364064 427505106 /nfs/dbraw/zinc/50/51/06/427505106.db2.gz GAIGWLOAPXFIKH-VXGBXAGGSA-N 1 1 318.295 2.588 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286364064 427505115 /nfs/dbraw/zinc/50/51/15/427505115.db2.gz GAIGWLOAPXFIKH-VXGBXAGGSA-N 1 1 318.295 2.588 20 5 DFBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000332237661 427554883 /nfs/dbraw/zinc/55/48/83/427554883.db2.gz OGABYYQTTGHNIJ-QWRGUYRKSA-N 1 1 317.345 2.506 20 5 DFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000332237661 427554891 /nfs/dbraw/zinc/55/48/91/427554891.db2.gz OGABYYQTTGHNIJ-QWRGUYRKSA-N 1 1 317.345 2.506 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286419148 427521810 /nfs/dbraw/zinc/52/18/10/427521810.db2.gz PBWIHBVOTABICX-SNVBAGLBSA-N 1 1 321.406 2.743 20 5 DFBDMO CCC(=O)c1ccc(N2CC[N@@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286418837 427523497 /nfs/dbraw/zinc/52/34/97/427523497.db2.gz QVSZHTUUCFQSIT-GFCCVEGCSA-N 1 1 305.378 2.718 20 5 DFBDMO CCC(=O)c1ccc(N2CC[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286418837 427523502 /nfs/dbraw/zinc/52/35/02/427523502.db2.gz QVSZHTUUCFQSIT-GFCCVEGCSA-N 1 1 305.378 2.718 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000341542393 271842238 /nfs/dbraw/zinc/84/22/38/271842238.db2.gz JQXHAGYXAKFVCY-NEPJUHHUSA-N 1 1 323.368 2.727 20 5 DFBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C(C)C ZINC000184788695 427539816 /nfs/dbraw/zinc/53/98/16/427539816.db2.gz SAWZUKVDKDGTLE-OAHLLOKOSA-N 1 1 321.421 2.620 20 5 DFBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192451587 427542216 /nfs/dbraw/zinc/54/22/16/427542216.db2.gz AMHRTLWPZMHZQO-SNVBAGLBSA-N 1 1 307.379 2.652 20 5 DFBDMO C[C@@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+](C)Cc1ccccc1 ZINC000192453069 427542780 /nfs/dbraw/zinc/54/27/80/427542780.db2.gz GMUDSXGQHBDNIQ-NSHDSACASA-N 1 1 306.391 2.984 20 5 DFBDMO Cc1sc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294108278 427549825 /nfs/dbraw/zinc/54/98/25/427549825.db2.gz LCYHBXJMCXKXGE-OAHLLOKOSA-N 1 1 323.418 2.523 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000192496957 427550933 /nfs/dbraw/zinc/55/09/33/427550933.db2.gz PIDOOHNEWWNMIN-RYUDHWBXSA-N 1 1 309.414 2.652 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000263748160 427558672 /nfs/dbraw/zinc/55/86/72/427558672.db2.gz GBPODEXPSGICJV-UHFFFAOYSA-N 1 1 309.366 2.520 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCCCn1cc[nH+]c1C ZINC000192622151 427576922 /nfs/dbraw/zinc/57/69/22/427576922.db2.gz UPKFJHZZMSRXOT-UHFFFAOYSA-N 1 1 306.370 2.517 20 5 DFBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000263816677 427580501 /nfs/dbraw/zinc/58/05/01/427580501.db2.gz WFXAHKUJNKUKHO-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000185166614 427606077 /nfs/dbraw/zinc/60/60/77/427606077.db2.gz YYVRJEXBSJYZQJ-NSHDSACASA-N 1 1 309.341 2.794 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000185166594 427606210 /nfs/dbraw/zinc/60/62/10/427606210.db2.gz YYVRJEXBSJYZQJ-LLVKDONJSA-N 1 1 309.341 2.794 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@](C)(OC)C2)ccc1[N+](=O)[O-] ZINC000279332389 427643835 /nfs/dbraw/zinc/64/38/35/427643835.db2.gz OZGOGMBJQIWXFI-INIZCTEOSA-N 1 1 308.378 2.994 20 5 DFBDMO C[C@H](CO)[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000287602926 427649085 /nfs/dbraw/zinc/64/90/85/427649085.db2.gz DGYMKXCLUGIDLR-SNVBAGLBSA-N 1 1 314.332 2.998 20 5 DFBDMO C[C@H](CO)[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000287602926 427649093 /nfs/dbraw/zinc/64/90/93/427649093.db2.gz DGYMKXCLUGIDLR-SNVBAGLBSA-N 1 1 314.332 2.998 20 5 DFBDMO C[N@@H+](CCCCCO)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000279355383 427650754 /nfs/dbraw/zinc/65/07/54/427650754.db2.gz GNCSQSGUIZAQJJ-UHFFFAOYSA-N 1 1 318.320 2.791 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C[C@H]1C ZINC000342483226 272018136 /nfs/dbraw/zinc/01/81/36/272018136.db2.gz YSAAKZWBDWJURE-NEPJUHHUSA-N 1 1 305.378 2.716 20 5 DFBDMO C[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+](C2CC2)C1 ZINC000295006542 427670248 /nfs/dbraw/zinc/67/02/48/427670248.db2.gz SKBAVIJOVXSSHE-SNVBAGLBSA-N 1 1 311.332 2.794 20 5 DFBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000343080014 272083461 /nfs/dbraw/zinc/08/34/61/272083461.db2.gz UEDJAYXYNUTRDU-UONOGXRCSA-N 1 1 319.405 2.516 20 5 DFBDMO COc1cc(N2CC[N@H+](C3CC3)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000295035613 427667955 /nfs/dbraw/zinc/66/79/55/427667955.db2.gz WMNZVJYJSXDVEV-NSHDSACASA-N 1 1 323.368 2.663 20 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/nfs/dbraw/zinc/29/56/19/272295619.db2.gz BATSGQLSFUUCHN-DLBZAZTESA-N 1 1 313.357 2.952 20 5 DFBDMO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000344243877 272295868 /nfs/dbraw/zinc/29/58/68/272295868.db2.gz PKZQSYMLISWZGS-VXGBXAGGSA-N 1 1 323.368 2.727 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](F)C[C@@H]3CO)o2)cc1 ZINC000344821486 272374717 /nfs/dbraw/zinc/37/47/17/272374717.db2.gz FBIXYDAJQORBSH-TZMCWYRMSA-N 1 1 320.320 2.760 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](F)C[C@@H]3CO)o2)cc1 ZINC000344821486 272374719 /nfs/dbraw/zinc/37/47/19/272374719.db2.gz FBIXYDAJQORBSH-TZMCWYRMSA-N 1 1 320.320 2.760 20 5 DFBDMO CC[N@@H+](CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185824313 427715427 /nfs/dbraw/zinc/71/54/27/427715427.db2.gz FEQVNBOYPXGXMH-OUKQBFOZSA-N 1 1 317.389 2.599 20 5 DFBDMO Cc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301065123 427772814 /nfs/dbraw/zinc/77/28/14/427772814.db2.gz DLYXDPWQEKFTDP-CQSZACIVSA-N 1 1 319.405 2.593 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000336915331 427774884 /nfs/dbraw/zinc/77/48/84/427774884.db2.gz BDHXFNCTKBAVPH-GFCCVEGCSA-N 1 1 310.423 3.260 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000301230785 427783285 /nfs/dbraw/zinc/78/32/85/427783285.db2.gz AQQBOMSUIIKRED-LLVKDONJSA-N 1 1 323.422 2.980 20 5 DFBDMO Cc1ccnc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000301289514 427786540 /nfs/dbraw/zinc/78/65/40/427786540.db2.gz NCSCUAOLESZQEI-CHWSQXEVSA-N 1 1 322.409 2.598 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000334010689 427725998 /nfs/dbraw/zinc/72/59/98/427725998.db2.gz ONJUKAJCEHXSGD-OCCSQVGLSA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000186043926 427742779 /nfs/dbraw/zinc/74/27/79/427742779.db2.gz AQKOIEGETLSTPY-QGZVFWFLSA-N 1 1 314.389 2.889 20 5 DFBDMO Cc1[nH+]ccn1-c1ccc(CNc2ncc(C)cc2[N+](=O)[O-])cn1 ZINC000301438154 427796538 /nfs/dbraw/zinc/79/65/38/427796538.db2.gz LIUNUAKMLNDYIR-UHFFFAOYSA-N 1 1 324.344 2.799 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCC2([N@@H+](C)CCO)CCCCC2)c1 ZINC000301542090 427805044 /nfs/dbraw/zinc/80/50/44/427805044.db2.gz CHWFAJFBPKKGNZ-UHFFFAOYSA-N 1 1 321.421 2.942 20 5 DFBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000301658321 427813404 /nfs/dbraw/zinc/81/34/04/427813404.db2.gz BRYSTWOLOQYWCS-ZDUSSCGKSA-N 1 1 300.362 2.787 20 5 DFBDMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000301822570 427827437 /nfs/dbraw/zinc/82/74/37/427827437.db2.gz HGJBXORQGGXVAW-GDBMZVCRSA-N 1 1 316.336 2.986 20 5 DFBDMO COc1cc(NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000301871273 427831726 /nfs/dbraw/zinc/83/17/26/427831726.db2.gz DAMOURQDZYFUJD-LBPRGKRZSA-N 1 1 323.393 2.756 20 5 DFBDMO Cc1cc(N2CCC[N@H+](C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302047943 427849553 /nfs/dbraw/zinc/84/95/53/427849553.db2.gz YXZGIZFIMLHELW-UHFFFAOYSA-N 1 1 300.362 2.593 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302404194 427852726 /nfs/dbraw/zinc/85/27/26/427852726.db2.gz FMOPNAXSSYGKEF-GFCCVEGCSA-N 1 1 304.394 2.849 20 5 DFBDMO C[C@@H](F)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000340461846 427854820 /nfs/dbraw/zinc/85/48/20/427854820.db2.gz MPCUTUJENSCHPK-BXUZGUMPSA-N 1 1 306.341 2.755 20 5 DFBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000355730859 427865484 /nfs/dbraw/zinc/86/54/84/427865484.db2.gz HKFLOLANDTVBLR-CBBWQLFWSA-N 1 1 322.405 2.701 20 5 DFBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccon1 ZINC000349830015 427873254 /nfs/dbraw/zinc/87/32/54/427873254.db2.gz DRMDIPPXSRXXJP-GHMZBOCLSA-N 1 1 318.333 2.651 20 5 DFBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302870270 427882472 /nfs/dbraw/zinc/88/24/72/427882472.db2.gz BKPUELGPDCZCRX-SMDDNHRTSA-N 1 1 304.394 2.703 20 5 DFBDMO CC(C)OCC[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 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CC1CCC(O)(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000352703837 428212103 /nfs/dbraw/zinc/21/21/03/428212103.db2.gz CZSWHWGCUWEDMK-UHFFFAOYSA-N 1 1 320.389 2.730 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3[nH]cnc3C2)ccc1Cl ZINC000377772081 428222306 /nfs/dbraw/zinc/22/23/06/428222306.db2.gz FHPZTPWMHYOONF-JTQLQIEISA-N 1 1 306.753 2.618 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000377668298 428186416 /nfs/dbraw/zinc/18/64/16/428186416.db2.gz FOOHBVGIIDJHPV-ZBFHGGJFSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000377668298 428186423 /nfs/dbraw/zinc/18/64/23/428186423.db2.gz FOOHBVGIIDJHPV-ZBFHGGJFSA-N 1 1 320.389 2.993 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000346501437 428198083 /nfs/dbraw/zinc/19/80/83/428198083.db2.gz ZLFQJWVYPGQLRJ-NWDGAFQWSA-N 1 1 320.393 2.850 20 5 DFBDMO C[C@@H]1C[C@@H](c2ccsc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000377950026 428268303 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2.883 20 5 DFBDMO COC(=O)[C@]1(C)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414551029 428336821 /nfs/dbraw/zinc/33/68/21/428336821.db2.gz AMYIGOCJTSUFEV-ZGRWHYIRSA-N 1 1 318.373 2.883 20 5 DFBDMO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000414555964 428339807 /nfs/dbraw/zinc/33/98/07/428339807.db2.gz IWQGCCBSSIXMFI-KEDPEKRHSA-N 1 1 317.389 2.597 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000353000585 428347107 /nfs/dbraw/zinc/34/71/07/428347107.db2.gz ZJQIUTPBCNESQE-SWLSCSKDSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1O ZINC000353000585 428347114 /nfs/dbraw/zinc/34/71/14/428347114.db2.gz ZJQIUTPBCNESQE-SWLSCSKDSA-N 1 1 310.369 2.963 20 5 DFBDMO CC[NH2+]CC1CCN(Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000347084380 428436763 /nfs/dbraw/zinc/43/67/63/428436763.db2.gz AFPWVTGQQFSYTM-UHFFFAOYSA-N 1 1 321.421 2.815 20 5 DFBDMO Cc1cccc([C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000378642356 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/nfs/dbraw/zinc/56/73/82/428567382.db2.gz SAGSPVHEJPJLMX-ODDCISTRSA-N 1 1 317.389 2.586 20 5 DFBDMO CSC[C@H](C)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353533034 428580105 /nfs/dbraw/zinc/58/01/05/428580105.db2.gz XCZKAIVLRFSAKR-FZMZJTMJSA-N 1 1 320.418 2.759 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000344409169 428638833 /nfs/dbraw/zinc/63/88/33/428638833.db2.gz CBZNDWVZMXIYCL-SECBINFHSA-N 1 1 303.284 2.754 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408347928 428644979 /nfs/dbraw/zinc/64/49/79/428644979.db2.gz CGTXSUOUXGYLRV-DYVFJYSZSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408347928 428644985 /nfs/dbraw/zinc/64/49/85/428644985.db2.gz CGTXSUOUXGYLRV-DYVFJYSZSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ncccc1[N+](=O)[O-] ZINC000302032706 274213346 /nfs/dbraw/zinc/21/33/46/274213346.db2.gz SRVULWREUKBETO-ZDUSSCGKSA-N 1 1 300.362 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HDDJLKJCUAASRF-GFCCVEGCSA-N 1 1 300.362 2.838 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000354122072 428872871 /nfs/dbraw/zinc/87/28/71/428872871.db2.gz WPHSFKAVFRWHPD-JKSUJKDBSA-N 1 1 319.405 2.816 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC000354122072 428872874 /nfs/dbraw/zinc/87/28/74/428872874.db2.gz WPHSFKAVFRWHPD-JKSUJKDBSA-N 1 1 319.405 2.816 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000363170832 428874418 /nfs/dbraw/zinc/87/44/18/428874418.db2.gz OOVNQUJIPRWRTA-OAHLLOKOSA-N 1 1 322.315 2.907 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000363170832 428874424 /nfs/dbraw/zinc/87/44/24/428874424.db2.gz OOVNQUJIPRWRTA-OAHLLOKOSA-N 1 1 322.315 2.907 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000348948201 428883012 /nfs/dbraw/zinc/88/30/12/428883012.db2.gz LNLLYXCBGGVJIS-QGZVFWFLSA-N 1 1 320.389 2.865 20 5 DFBDMO 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ZINC000363815467 428996705 /nfs/dbraw/zinc/99/67/05/428996705.db2.gz HSFZELORRCHTRA-UKRRQHHQSA-N 1 1 324.352 2.886 20 5 DFBDMO COc1cc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000363815467 428996712 /nfs/dbraw/zinc/99/67/12/428996712.db2.gz HSFZELORRCHTRA-UKRRQHHQSA-N 1 1 324.352 2.886 20 5 DFBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000376021439 429041957 /nfs/dbraw/zinc/04/19/57/429041957.db2.gz MDIWUADSMVWFGV-INIZCTEOSA-N 1 1 318.352 2.594 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376107794 429058062 /nfs/dbraw/zinc/05/80/62/429058062.db2.gz XNFBPYXISVAYBK-QWHCGFSZSA-N 1 1 303.362 2.836 20 5 DFBDMO CCOc1cc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000452119194 429062714 /nfs/dbraw/zinc/06/27/14/429062714.db2.gz QBFMWSCPKBRCMH-HIFRSBDPSA-N 1 1 320.389 2.850 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1NCCCC1(C)C ZINC000423398973 429080752 /nfs/dbraw/zinc/08/07/52/429080752.db2.gz VRVSGAXZLQAZMO-CJNGLKHVSA-N 1 1 305.422 2.894 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413025302 429124034 /nfs/dbraw/zinc/12/40/34/429124034.db2.gz QCBNBCOHAVBIOO-SECBINFHSA-N 1 1 318.299 2.905 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000376578634 429140055 /nfs/dbraw/zinc/14/00/55/429140055.db2.gz CHEUZZJNKWIWBQ-DZGCQCFKSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000376578596 429140079 /nfs/dbraw/zinc/14/00/79/429140079.db2.gz CCNUIJSQZZHFEX-QWHCGFSZSA-N 1 1 323.418 2.745 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000364071380 429166147 /nfs/dbraw/zinc/16/61/47/429166147.db2.gz YWVMQDIALZWOHZ-VXGBXAGGSA-N 1 1 324.352 2.601 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000364071377 429166518 /nfs/dbraw/zinc/16/65/18/429166518.db2.gz YWVMQDIALZWOHZ-RYUDHWBXSA-N 1 1 324.352 2.601 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172416609 275012595 /nfs/dbraw/zinc/01/25/95/275012595.db2.gz MYQGWMHBTMQHOX-UHFFFAOYSA-N 1 1 317.389 2.685 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301368069 275033944 /nfs/dbraw/zinc/03/39/44/275033944.db2.gz RRNKQGQAMLWMNM-FPMFFAJLSA-N 1 1 305.353 2.654 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c(Cl)c1 ZINC000368081969 275035621 /nfs/dbraw/zinc/03/56/21/275035621.db2.gz REBWQLMDHWKOGU-SNVBAGLBSA-N 1 1 306.753 2.618 20 5 DFBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCCC[C@H]4C3)ccc2c1 ZINC000264832880 275039080 /nfs/dbraw/zinc/03/90/80/275039080.db2.gz IEXWSMVVSKCQQT-HNNXBMFYSA-N 1 1 312.373 2.818 20 5 DFBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000291625278 275041902 /nfs/dbraw/zinc/04/19/02/275041902.db2.gz KWHOCAUCIXHRDY-ZDUSSCGKSA-N 1 1 312.373 2.818 20 5 DFBDMO Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000364095788 429171073 /nfs/dbraw/zinc/17/10/73/429171073.db2.gz OQHCSRFJBKOBPN-JKSUJKDBSA-N 1 1 317.389 2.602 20 5 DFBDMO CCOc1cc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)ccc1[N+](=O)[O-] ZINC000376678030 429158431 /nfs/dbraw/zinc/15/84/31/429158431.db2.gz FGSPUOXYHRGRRC-UKRRQHHQSA-N 1 1 306.362 2.747 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H]3OCC[C@H]32)ccc1[N+](=O)[O-] ZINC000376678030 429158436 /nfs/dbraw/zinc/15/84/36/429158436.db2.gz FGSPUOXYHRGRRC-UKRRQHHQSA-N 1 1 306.362 2.747 20 5 DFBDMO CC(C)[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000488574575 429185714 /nfs/dbraw/zinc/18/57/14/429185714.db2.gz RJHBGJIAEJDZAX-DBWMJRBXSA-N 1 1 303.406 2.880 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000495240628 429191307 /nfs/dbraw/zinc/19/13/07/429191307.db2.gz MTNHPQFZSPVWEV-WBMJQRKESA-N 1 1 308.378 2.586 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000425281220 429257154 /nfs/dbraw/zinc/25/71/54/429257154.db2.gz IPSGOQLGHHHRLF-XJKSGUPXSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425348151 429271221 /nfs/dbraw/zinc/27/12/21/429271221.db2.gz BQRUMKKFXXHERQ-KTDSNECNSA-N 1 1 301.390 2.634 20 5 DFBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C(C)(F)F ZINC000449413109 429409038 /nfs/dbraw/zinc/40/90/38/429409038.db2.gz HUWRPAPONOSDKA-NXEZZACHSA-N 1 1 315.320 2.945 20 5 DFBDMO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)Cc1ccsc1 ZINC000425911696 429349947 /nfs/dbraw/zinc/34/99/47/429349947.db2.gz CCERRYWMQDNLPY-LLVKDONJSA-N 1 1 308.407 2.843 20 5 DFBDMO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)Cc1ccsc1 ZINC000425911696 429349952 /nfs/dbraw/zinc/34/99/52/429349952.db2.gz CCERRYWMQDNLPY-LLVKDONJSA-N 1 1 308.407 2.843 20 5 DFBDMO Cc1ccc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365840323 429383105 /nfs/dbraw/zinc/38/31/05/429383105.db2.gz MOLNDXQLKMRSBM-INIZCTEOSA-N 1 1 314.389 2.979 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457046283 429383834 /nfs/dbraw/zinc/38/38/34/429383834.db2.gz BOQLZKYLNBUIDB-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000366265944 429444268 /nfs/dbraw/zinc/44/42/68/429444268.db2.gz HEVNHIGJCWQMJP-IRXDYDNUSA-N 1 1 320.389 2.755 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000366265944 429444272 /nfs/dbraw/zinc/44/42/72/429444272.db2.gz HEVNHIGJCWQMJP-IRXDYDNUSA-N 1 1 320.389 2.755 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448673 429454631 /nfs/dbraw/zinc/45/46/31/429454631.db2.gz DFXVXIWPALDABA-YOEHRIQHSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448673 429454634 /nfs/dbraw/zinc/45/46/34/429454634.db2.gz DFXVXIWPALDABA-YOEHRIQHSA-N 1 1 320.389 2.673 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449422803 429413248 /nfs/dbraw/zinc/41/32/48/429413248.db2.gz FQPXTIMYGRDNME-MRXNPFEDSA-N 1 1 312.373 2.980 20 5 DFBDMO C[N@@H+](CCCCNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000457175443 429419799 /nfs/dbraw/zinc/41/97/99/429419799.db2.gz XYZVASCEKFCBBC-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO Cc1cc(C(=O)NCCCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000457192438 429423113 /nfs/dbraw/zinc/42/31/13/429423113.db2.gz YPPWGRYSGLHXMD-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000449676373 429477006 /nfs/dbraw/zinc/47/70/06/429477006.db2.gz GRPWZRSJVNYXGD-BBRMVZONSA-N 1 1 322.405 2.690 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)cc1F ZINC000366990109 429554056 /nfs/dbraw/zinc/55/40/56/429554056.db2.gz RGDISHTYNHRLPW-CQSZACIVSA-N 1 1 318.352 2.985 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)cc1F ZINC000366990109 429554061 /nfs/dbraw/zinc/55/40/61/429554061.db2.gz RGDISHTYNHRLPW-CQSZACIVSA-N 1 1 318.352 2.985 20 5 DFBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000428996295 429568138 /nfs/dbraw/zinc/56/81/38/429568138.db2.gz QVHJPHYTHJMSDS-IIYDPXPESA-N 1 1 321.396 2.896 20 5 DFBDMO CCOc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000492608596 429577097 /nfs/dbraw/zinc/57/70/97/429577097.db2.gz QKGISIIUPXXANW-UHFFFAOYSA-N 1 1 321.421 2.767 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000522191849 429585364 /nfs/dbraw/zinc/58/53/64/429585364.db2.gz DWFXNEQXFIUKKL-CYBMUJFWSA-N 1 1 320.393 2.755 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429846513 429636185 /nfs/dbraw/zinc/63/61/85/429636185.db2.gz AWRMZEULJWVOKZ-UHFFFAOYSA-N 1 1 321.421 2.719 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000450548575 429645520 /nfs/dbraw/zinc/64/55/20/429645520.db2.gz SSYQYWSGQWPVRB-LLVKDONJSA-N 1 1 304.394 2.527 20 5 DFBDMO CC(C)[C@@H](C)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429253306 429590771 /nfs/dbraw/zinc/59/07/71/429590771.db2.gz HWUMXPNERYLMSV-GFCCVEGCSA-N 1 1 307.394 2.580 20 5 DFBDMO CCC(C)(C)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429260162 429592515 /nfs/dbraw/zinc/59/25/15/429592515.db2.gz ZPRDIYAZTUSDGH-UHFFFAOYSA-N 1 1 307.394 2.724 20 5 DFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450329312 429601744 /nfs/dbraw/zinc/60/17/44/429601744.db2.gz FLPSLECHGUUYDG-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000430217150 429664089 /nfs/dbraw/zinc/66/40/89/429664089.db2.gz ILTLZKWCGHZRJQ-UKRRQHHQSA-N 1 1 320.389 2.852 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242558 429666979 /nfs/dbraw/zinc/66/69/79/429666979.db2.gz JBBHBXNDMADWGE-OAHLLOKOSA-N 1 1 307.394 2.520 20 5 DFBDMO C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000367609800 429685673 /nfs/dbraw/zinc/68/56/73/429685673.db2.gz XTPOTUXYQBUNLA-YQQAZPJKSA-N 1 1 303.406 2.600 20 5 DFBDMO CN1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000367609800 429685678 /nfs/dbraw/zinc/68/56/78/429685678.db2.gz XTPOTUXYQBUNLA-YQQAZPJKSA-N 1 1 303.406 2.600 20 5 DFBDMO Cn1c2cc(F)ccc2[nH+]c1NCCc1ccc([N+](=O)[O-])cc1 ZINC000431021127 429734966 /nfs/dbraw/zinc/73/49/66/429734966.db2.gz BANCSFLEAXRAQV-UHFFFAOYSA-N 1 1 314.320 3.275 20 5 DFBDMO Cc1cccc2c1CC(C)(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000451259716 429797178 /nfs/dbraw/zinc/79/71/78/429797178.db2.gz IGIKKCUALRMICL-UHFFFAOYSA-N 1 1 314.389 2.937 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493395973 429752940 /nfs/dbraw/zinc/75/29/40/429752940.db2.gz YDMWGMAWSKUELY-XYLWRLHESA-N 1 1 323.368 2.592 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432175931 429807272 /nfs/dbraw/zinc/80/72/72/429807272.db2.gz KDZXJDPDEZFSBG-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO CCOc1cccc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487086987 429764546 /nfs/dbraw/zinc/76/45/46/429764546.db2.gz OQKJLKQYYNLUJS-CQSZACIVSA-N 1 1 307.394 2.770 20 5 DFBDMO CC(C)[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000487078537 429765128 /nfs/dbraw/zinc/76/51/28/429765128.db2.gz MSQDTEMMDHKBPT-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO CCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000451528321 429843410 /nfs/dbraw/zinc/84/34/10/429843410.db2.gz QCNWKQLJRUXJQG-DOMZBBRYSA-N 1 1 308.378 2.850 20 5 DFBDMO CO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000451545090 429849502 /nfs/dbraw/zinc/84/95/02/429849502.db2.gz NSIJYIAYUGLUSM-MFKMUULPSA-N 1 1 305.334 2.593 20 5 DFBDMO CC(C)NC(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545979 429849694 /nfs/dbraw/zinc/84/96/94/429849694.db2.gz IKVLEAJZJJDLJO-OAHLLOKOSA-N 1 1 319.405 2.689 20 5 DFBDMO C[C@H](c1nncn1C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544362 429849766 /nfs/dbraw/zinc/84/97/66/429849766.db2.gz DZBSXDUCWQPOJB-TZMCWYRMSA-N 1 1 315.377 2.664 20 5 DFBDMO C[C@H](c1nncn1C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544362 429849771 /nfs/dbraw/zinc/84/97/71/429849771.db2.gz DZBSXDUCWQPOJB-TZMCWYRMSA-N 1 1 315.377 2.664 20 5 DFBDMO C[C@@H](c1nncn1C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544359 429850596 /nfs/dbraw/zinc/85/05/96/429850596.db2.gz DZBSXDUCWQPOJB-GXTWGEPZSA-N 1 1 315.377 2.664 20 5 DFBDMO C[C@@H](c1nncn1C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544359 429850598 /nfs/dbraw/zinc/85/05/98/429850598.db2.gz DZBSXDUCWQPOJB-GXTWGEPZSA-N 1 1 315.377 2.664 20 5 DFBDMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451559603 429855276 /nfs/dbraw/zinc/85/52/76/429855276.db2.gz HIURQMQFHOUBBS-OAHLLOKOSA-N 1 1 319.405 2.643 20 5 DFBDMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451559601 429855498 /nfs/dbraw/zinc/85/54/98/429855498.db2.gz HIURQMQFHOUBBS-HNNXBMFYSA-N 1 1 319.405 2.643 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000368562461 429866475 /nfs/dbraw/zinc/86/64/75/429866475.db2.gz PCKPSYFEYFKXSN-UHFFFAOYSA-N 1 1 321.768 2.825 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451743296 429881832 /nfs/dbraw/zinc/88/18/32/429881832.db2.gz TWJNAUMGEAGZOA-CQSZACIVSA-N 1 1 307.394 2.520 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451740988 429882279 /nfs/dbraw/zinc/88/22/79/429882279.db2.gz NEUYCQCWYJHAQY-LLVKDONJSA-N 1 1 313.348 2.789 20 5 DFBDMO Cc1c([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cccc1[N+](=O)[O-] ZINC000368685880 429886510 /nfs/dbraw/zinc/88/65/10/429886510.db2.gz BZQCEGVRIXXWNQ-RYUDHWBXSA-N 1 1 300.362 2.834 20 5 DFBDMO Cc1c(C[N@H+]2CCCC[C@@H]2Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000369281221 429922361 /nfs/dbraw/zinc/92/23/61/429922361.db2.gz VNBRFTAYWXOCNN-OAHLLOKOSA-N 1 1 315.377 2.549 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000369279625 429922453 /nfs/dbraw/zinc/92/24/53/429922453.db2.gz MKXMYDROHHTIRS-AWEZNQCLSA-N 1 1 314.389 2.794 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1 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DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000530447296 301048261 /nfs/dbraw/zinc/04/82/61/301048261.db2.gz WOJHINMIPYFZIG-ZDUSSCGKSA-N 1 1 320.393 2.675 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000531104775 301079422 /nfs/dbraw/zinc/07/94/22/301079422.db2.gz ZSSPHANNHJWZGH-ZIAGYGMSSA-N 1 1 314.389 2.954 20 5 DFBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000531168514 301083468 /nfs/dbraw/zinc/08/34/68/301083468.db2.gz FIAKLTXPPLBFNM-CYBMUJFWSA-N 1 1 315.377 2.726 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532572695 301160836 /nfs/dbraw/zinc/16/08/36/301160836.db2.gz OJKSNPPHRLWXRF-VHSXEESVSA-N 1 1 311.769 2.917 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000532572695 301160837 /nfs/dbraw/zinc/16/08/37/301160837.db2.gz OJKSNPPHRLWXRF-VHSXEESVSA-N 1 1 311.769 2.917 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC1CC1)C(C)C ZINC000533494908 301203854 /nfs/dbraw/zinc/20/38/54/301203854.db2.gz WRXFYYQUIITZQY-UHFFFAOYSA-N 1 1 305.378 2.962 20 5 DFBDMO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536877924 301292001 /nfs/dbraw/zinc/29/20/01/301292001.db2.gz PGQXOEWTXSDOJS-WBMJQRKESA-N 1 1 316.357 2.988 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1ccccc1C ZINC000543836262 301439012 /nfs/dbraw/zinc/43/90/12/301439012.db2.gz KVHQFRUKEKWQHR-INIZCTEOSA-N 1 1 316.357 2.735 20 5 DFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000564586033 302143340 /nfs/dbraw/zinc/14/33/40/302143340.db2.gz SDUDBENXTHBIPR-UHFFFAOYSA-N 1 1 319.405 2.674 20 5 DFBDMO CC(C)CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181554714 316063434 /nfs/dbraw/zinc/06/34/34/316063434.db2.gz WMQDVEOUWROKQM-HNNXBMFYSA-N 1 1 322.405 2.845 20 5 DFBDMO CC[C@@]1(C)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181928923 316078504 /nfs/dbraw/zinc/07/85/04/316078504.db2.gz XNMWKRJEHXQSKM-YOEHRIQHSA-N 1 1 322.405 2.847 20 5 DFBDMO CCC[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181997763 316081326 /nfs/dbraw/zinc/08/13/26/316081326.db2.gz VLCZNOZUGQMQKI-GJZGRUSLSA-N 1 1 322.405 2.847 20 5 DFBDMO CC(C)[C@H](N)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414792068 316658840 /nfs/dbraw/zinc/65/88/40/316658840.db2.gz IMDJAHRCJLDVHN-IMJJTQAJSA-N 1 1 305.422 2.879 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2COC)ccc1[N+](=O)[O-] ZINC000452036361 317120162 /nfs/dbraw/zinc/12/01/62/317120162.db2.gz IUIFSBAHBSJXGW-AWEZNQCLSA-N 1 1 308.378 2.994 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488049560 317363061 /nfs/dbraw/zinc/36/30/61/317363061.db2.gz MMXNOGYPPXNEIR-DZGCQCFKSA-N 1 1 319.405 2.955 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488049563 317363268 /nfs/dbraw/zinc/36/32/68/317363268.db2.gz MMXNOGYPPXNEIR-ZFWWWQNUSA-N 1 1 319.405 2.955 20 5 DFBDMO CC(C)[N@@H+]1C[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000488074909 317364829 /nfs/dbraw/zinc/36/48/29/317364829.db2.gz JVQWRBPTBPNFCZ-WFASDCNBSA-N 1 1 314.389 2.706 20 5 DFBDMO COc1ccccc1[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000542914011 317823327 /nfs/dbraw/zinc/82/33/27/317823327.db2.gz NRDJDPARPWWCBJ-HNNXBMFYSA-N 1 1 316.357 2.735 20 5 DFBDMO CC(C)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000192850384 323248652 /nfs/dbraw/zinc/24/86/52/323248652.db2.gz QJIZKBDZJKXPOU-OAHLLOKOSA-N 1 1 310.394 2.701 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000584253826 332014216 /nfs/dbraw/zinc/01/42/16/332014216.db2.gz QMXQQPQXWRSUEL-LBPRGKRZSA-N 1 1 323.393 2.914 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])cc1F ZINC000292673146 533819706 /nfs/dbraw/zinc/81/97/06/533819706.db2.gz JFHLAGVESDHDBZ-OAHLLOKOSA-N 1 1 324.352 2.622 20 5 DFBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)C2 ZINC000356186901 519064278 /nfs/dbraw/zinc/06/42/78/519064278.db2.gz NEVACKGZIRMTMD-LLVKDONJSA-N 1 1 315.377 2.911 20 5 DFBDMO Cc1cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363811118 525204829 /nfs/dbraw/zinc/20/48/29/525204829.db2.gz CIKDGUCNYFHJEJ-UONOGXRCSA-N 1 1 318.377 2.652 20 5 DFBDMO C[C@@H]1[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000368814311 525544781 /nfs/dbraw/zinc/54/47/81/525544781.db2.gz QLLROVONTPOYJL-AWEZNQCLSA-N 1 1 320.389 2.865 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000358311073 534906450 /nfs/dbraw/zinc/90/64/50/534906450.db2.gz KFPHGTZTDPQPLR-AWEZNQCLSA-N 1 1 320.393 2.899 20 5 DFBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000361470412 536466610 /nfs/dbraw/zinc/46/66/10/536466610.db2.gz SGAQGIJAHATKHM-CYBMUJFWSA-N 1 1 305.378 2.704 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292782282 527217937 /nfs/dbraw/zinc/21/79/37/527217937.db2.gz LVKMSIZDRITMOC-QGZVFWFLSA-N 1 1 317.389 2.720 20 5 DFBDMO Cn1cc([C@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000128383292 527319792 /nfs/dbraw/zinc/31/97/92/527319792.db2.gz IRLIXBSZORJYIT-DRDHIDPGSA-N 1 1 312.373 2.831 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000365079972 527390626 /nfs/dbraw/zinc/39/06/26/527390626.db2.gz GCGGXZVJFHRRNH-HNNXBMFYSA-N 1 1 316.361 2.507 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365649835 527456346 /nfs/dbraw/zinc/45/63/46/527456346.db2.gz PSUUXTNEEALTDE-GFCCVEGCSA-N 1 1 318.352 2.847 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330938389 527825486 /nfs/dbraw/zinc/82/54/86/527825486.db2.gz BRDWTOXQMAUUBZ-WFASDCNBSA-N 1 1 320.393 2.931 20 5 DFBDMO CCCCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293017999 528186891 /nfs/dbraw/zinc/18/68/91/528186891.db2.gz FGBJCBUPMKWHPC-UHFFFAOYSA-N 1 1 305.378 2.543 20 5 DFBDMO CCOc1cccc(N[C@H]2CCc3[nH+]c(C)cn3C2)c1[N+](=O)[O-] ZINC000302692817 528675714 /nfs/dbraw/zinc/67/57/14/528675714.db2.gz VQYQIRGDQMPNGV-LBPRGKRZSA-N 1 1 316.361 2.925 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000315030475 528832560 /nfs/dbraw/zinc/83/25/60/528832560.db2.gz WIOFDSWQUOZGCS-JTQLQIEISA-N 1 1 313.785 2.707 20 5 DFBDMO CC[N@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000296737955 529031232 /nfs/dbraw/zinc/03/12/32/529031232.db2.gz MZUYRSOZENOTPD-UHFFFAOYSA-N 1 1 324.356 2.602 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)C1(C)C ZINC000361417031 535021690 /nfs/dbraw/zinc/02/16/90/535021690.db2.gz VRMUGHQLDLTKNR-OAHLLOKOSA-N 1 1 308.378 2.727 20 5 DFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362604466 535093734 /nfs/dbraw/zinc/09/37/34/535093734.db2.gz UBATZMKYAKVZGS-XJKSGUPXSA-N 1 1 319.405 2.530 20 5 DFBDMO CCC(C)(C)[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355290389 535355578 /nfs/dbraw/zinc/35/55/78/535355578.db2.gz LEUNUCSVSXKGSY-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000245846593 536769440 /nfs/dbraw/zinc/76/94/40/536769440.db2.gz CGAQNGFKTQLUSW-VXGBXAGGSA-N 1 1 321.377 2.520 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000245846593 536769446 /nfs/dbraw/zinc/76/94/46/536769446.db2.gz CGAQNGFKTQLUSW-VXGBXAGGSA-N 1 1 321.377 2.520 20 5 DFBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000051058562 425882334 /nfs/dbraw/zinc/88/23/34/425882334.db2.gz OGQYUPBBLFHGFG-HNNXBMFYSA-N 1 1 319.405 2.723 20 5 DFBDMO Cc1n[nH]cc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278686297 214325357 /nfs/dbraw/zinc/32/53/57/214325357.db2.gz IJUDZISJGZKRAI-UHFFFAOYSA-N 1 1 314.267 2.935 20 5 DFBDMO Cc1cc(NCC[N@@H+](C)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000317070200 231156662 /nfs/dbraw/zinc/15/66/62/231156662.db2.gz WOIYJNXSHHUWKY-UHFFFAOYSA-N 1 1 300.362 2.958 20 5 DFBDMO Cc1cc(NCC[N@H+](C)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000317070200 231156664 /nfs/dbraw/zinc/15/66/64/231156664.db2.gz WOIYJNXSHHUWKY-UHFFFAOYSA-N 1 1 300.362 2.958 20 5 DFBDMO C[N@H+]1CCC[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[C@@H]21 ZINC000596167633 398346279 /nfs/dbraw/zinc/34/62/79/398346279.db2.gz FPAIDCYWVKILOK-JQWIXIFHSA-N 1 1 310.785 2.564 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000066203125 398362529 /nfs/dbraw/zinc/36/25/29/398362529.db2.gz MYVOYRNMFQKFLO-LLVKDONJSA-N 1 1 308.382 2.755 20 5 DFBDMO COc1cc(N[C@H]2CCc3c[nH+]cn3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596232628 398363169 /nfs/dbraw/zinc/36/31/69/398363169.db2.gz YPOMDKDMTGALQC-VIFPVBQESA-N 1 1 322.752 2.880 20 5 DFBDMO Cc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000008351034 398372004 /nfs/dbraw/zinc/37/20/04/398372004.db2.gz HEQNPXABHVCMSE-AWEZNQCLSA-N 1 1 319.405 2.898 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596308384 398381555 /nfs/dbraw/zinc/38/15/55/398381555.db2.gz RJHNCNXYASGVDR-LBPRGKRZSA-N 1 1 309.414 2.652 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000596306854 398381892 /nfs/dbraw/zinc/38/18/92/398381892.db2.gz IUOVRCLNWPENTR-GFCCVEGCSA-N 1 1 321.377 2.666 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000596309357 398382490 /nfs/dbraw/zinc/38/24/90/398382490.db2.gz ZKJKPGREINTMRP-SECBINFHSA-N 1 1 309.395 2.589 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278205144 214022360 /nfs/dbraw/zinc/02/23/60/214022360.db2.gz FIAOXDAXHPGFJE-SECBINFHSA-N 1 1 318.299 2.903 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCC(C)(C)C ZINC000592145373 398391696 /nfs/dbraw/zinc/39/16/96/398391696.db2.gz WQQAYFULUXSSHB-UHFFFAOYSA-N 1 1 323.393 2.910 20 5 DFBDMO O=[N+]([O-])c1cccc(C[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000592160531 398394344 /nfs/dbraw/zinc/39/43/44/398394344.db2.gz LGLWCTFYHAZMOC-MRXNPFEDSA-N 1 1 304.321 2.947 20 5 DFBDMO CCCN(C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000592242061 398406758 /nfs/dbraw/zinc/40/67/58/398406758.db2.gz GGGOPGWDANWEFT-AWEZNQCLSA-N 1 1 320.393 2.851 20 5 DFBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCCC2 ZINC000592387423 398420416 /nfs/dbraw/zinc/42/04/16/398420416.db2.gz AVRLIOBZYJPQCV-GFCCVEGCSA-N 1 1 300.362 2.978 20 5 DFBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCCC2 ZINC000592387424 398420524 /nfs/dbraw/zinc/42/05/24/398420524.db2.gz AVRLIOBZYJPQCV-LBPRGKRZSA-N 1 1 300.362 2.978 20 5 DFBDMO COC(=O)[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000592515446 398438833 /nfs/dbraw/zinc/43/88/33/398438833.db2.gz FUCOZDQMWMJDNQ-AABDMYLDSA-N 1 1 318.373 2.739 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3n2CCCC3)c(F)c1 ZINC000585744182 398443735 /nfs/dbraw/zinc/44/37/35/398443735.db2.gz WOQXLGRABTYPHZ-UHFFFAOYSA-N 1 1 304.325 2.557 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC(N)=O)CC1 ZINC000585796073 398447337 /nfs/dbraw/zinc/44/73/37/398447337.db2.gz IUGFCDXLZBLWGN-QWHCGFSZSA-N 1 1 305.378 2.633 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC(N)=O)CC1 ZINC000585796071 398447520 /nfs/dbraw/zinc/44/75/20/398447520.db2.gz IUGFCDXLZBLWGN-CHWSQXEVSA-N 1 1 305.378 2.633 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596570715 398449784 /nfs/dbraw/zinc/44/97/84/398449784.db2.gz NAOVZOZOBGOLKY-GFCCVEGCSA-N 1 1 308.357 2.663 20 5 DFBDMO C[N@@H+]1CCC[C@]2(CCN(CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292846652 530065074 /nfs/dbraw/zinc/06/50/74/530065074.db2.gz BOMAFSQXKJGAKY-KRWDZBQOSA-N 1 1 303.406 2.555 20 5 DFBDMO C[N@H+]1CCC[C@]2(CCN(CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292846652 530065075 /nfs/dbraw/zinc/06/50/75/530065075.db2.gz BOMAFSQXKJGAKY-KRWDZBQOSA-N 1 1 303.406 2.555 20 5 DFBDMO CN1CCC[C@]2(CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292846652 530065076 /nfs/dbraw/zinc/06/50/76/530065076.db2.gz BOMAFSQXKJGAKY-KRWDZBQOSA-N 1 1 303.406 2.555 20 5 DFBDMO CN1CCC[C@]2(CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292846652 530065077 /nfs/dbraw/zinc/06/50/77/530065077.db2.gz BOMAFSQXKJGAKY-KRWDZBQOSA-N 1 1 303.406 2.555 20 5 DFBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000592781079 398484220 /nfs/dbraw/zinc/48/42/20/398484220.db2.gz VTOADQNRRKUSGI-SNVBAGLBSA-N 1 1 318.333 2.649 20 5 DFBDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000111253528 185565519 /nfs/dbraw/zinc/56/55/19/185565519.db2.gz KTFWSJHAIPYXHN-NSHDSACASA-N 1 1 309.366 2.520 20 5 DFBDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000030142108 398495654 /nfs/dbraw/zinc/49/56/54/398495654.db2.gz KVDQWFHZSMIVAK-CYBMUJFWSA-N 1 1 305.378 2.964 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)c(F)c1 ZINC000305751592 398506537 /nfs/dbraw/zinc/50/65/37/398506537.db2.gz ZPBSGOSWPGGNCL-QGZVFWFLSA-N 1 1 316.332 2.658 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)CN(C)C ZINC000459544354 299129843 /nfs/dbraw/zinc/12/98/43/299129843.db2.gz DLGLSDLYJKPMTA-UHFFFAOYSA-N 1 1 309.410 2.812 20 5 DFBDMO C[N@H+]1CCC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000068722851 398522590 /nfs/dbraw/zinc/52/25/90/398522590.db2.gz CIVKZAWXGIFOGE-GFCCVEGCSA-N 1 1 300.362 2.897 20 5 DFBDMO CC1(C)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000279687351 215063132 /nfs/dbraw/zinc/06/31/32/215063132.db2.gz HGHORUPETHPFML-CQSZACIVSA-N 1 1 310.419 2.846 20 5 DFBDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593046974 398529723 /nfs/dbraw/zinc/52/97/23/398529723.db2.gz VLDFACWDFFZABP-MRXNPFEDSA-N 1 1 318.352 2.594 20 5 DFBDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593046973 398529781 /nfs/dbraw/zinc/52/97/81/398529781.db2.gz VLDFACWDFFZABP-INIZCTEOSA-N 1 1 318.352 2.594 20 5 DFBDMO CC(C)O[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000593055799 398532539 /nfs/dbraw/zinc/53/25/39/398532539.db2.gz QEMSGXQFHAVCBB-AWEZNQCLSA-N 1 1 308.378 2.863 20 5 DFBDMO C[C@H](c1ccco1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000069067078 398545677 /nfs/dbraw/zinc/54/56/77/398545677.db2.gz RLKDJYOVAHCRMO-OCCSQVGLSA-N 1 1 320.345 2.621 20 5 DFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000279776429 215135604 /nfs/dbraw/zinc/13/56/04/215135604.db2.gz NIWNRPOWBHNBGD-UONOGXRCSA-N 1 1 308.378 2.599 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1 ZINC000589496770 398557003 /nfs/dbraw/zinc/55/70/03/398557003.db2.gz PAIUAOHBHKLDDG-GHMZBOCLSA-N 1 1 324.402 2.707 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCSCC[C@H]2C)c1 ZINC000589512963 398558347 /nfs/dbraw/zinc/55/83/47/398558347.db2.gz UIZMBUIJJLSACG-LLVKDONJSA-N 1 1 324.402 2.709 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCSCC[C@@H]2C)c1 ZINC000589512966 398558426 /nfs/dbraw/zinc/55/84/26/398558426.db2.gz UIZMBUIJJLSACG-NSHDSACASA-N 1 1 324.402 2.709 20 5 DFBDMO C[C@H](C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000593189185 398567366 /nfs/dbraw/zinc/56/73/66/398567366.db2.gz JPTXTZBYFOQJTA-ZOBORPQBSA-N 1 1 319.405 2.638 20 5 DFBDMO Cc1cc(N(C)C[C@@H]2CCc3[nH+]ccn3C2)c(F)cc1[N+](=O)[O-] ZINC000589690623 398571285 /nfs/dbraw/zinc/57/12/85/398571285.db2.gz UUYBALQCKDYPDZ-LBPRGKRZSA-N 1 1 318.352 2.938 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092471192 398578859 /nfs/dbraw/zinc/57/88/59/398578859.db2.gz DIJOEEVPPBQDHP-GFCCVEGCSA-N 1 1 300.362 2.837 20 5 DFBDMO CCOC(=O)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000092532205 398584183 /nfs/dbraw/zinc/58/41/83/398584183.db2.gz DBSUADLBTREQIA-UHFFFAOYSA-N 1 1 306.362 2.821 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000092609698 398587396 /nfs/dbraw/zinc/58/73/96/398587396.db2.gz JDYHMKOWICILTI-TZMCWYRMSA-N 1 1 309.341 2.781 20 5 DFBDMO C[C@@]12COC[C@]1(C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000597196011 398587788 /nfs/dbraw/zinc/58/77/88/398587788.db2.gz PMZDXTIHBMOVBA-VWEWPCDYSA-N 1 1 302.374 2.966 20 5 DFBDMO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000287074043 219298829 /nfs/dbraw/zinc/29/88/29/219298829.db2.gz VYOGJHWBXHVNCW-ZDUSSCGKSA-N 1 1 306.391 2.936 20 5 DFBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000287074043 219298831 /nfs/dbraw/zinc/29/88/31/219298831.db2.gz VYOGJHWBXHVNCW-ZDUSSCGKSA-N 1 1 306.391 2.936 20 5 DFBDMO CCOc1cc(N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000092652076 398590444 /nfs/dbraw/zinc/59/04/44/398590444.db2.gz KQSZKLXMAWWEKZ-AWEZNQCLSA-N 1 1 305.378 2.890 20 5 DFBDMO CCOc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092668180 398591973 /nfs/dbraw/zinc/59/19/73/398591973.db2.gz XCIDACRVDKQXKY-JSGCOSHPSA-N 1 1 307.394 2.770 20 5 DFBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[N@H+]1C1CC1 ZINC000133650903 186003372 /nfs/dbraw/zinc/00/33/72/186003372.db2.gz MYIGUEADJWXJLQ-ZJUUUORDSA-N 1 1 323.780 2.603 20 5 DFBDMO COc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000133714904 186009128 /nfs/dbraw/zinc/00/91/28/186009128.db2.gz OKMJYQCPCDGNMT-JSGCOSHPSA-N 1 1 305.378 2.524 20 5 DFBDMO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000133717660 186009840 /nfs/dbraw/zinc/00/98/40/186009840.db2.gz GAXAMTYVKSTQQU-LLVKDONJSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000133717660 186009841 /nfs/dbraw/zinc/00/98/41/186009841.db2.gz GAXAMTYVKSTQQU-LLVKDONJSA-N 1 1 312.753 2.633 20 5 DFBDMO CC[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000590442665 398622443 /nfs/dbraw/zinc/62/24/43/398622443.db2.gz QUSQNYXAOWYHIL-DOMZBBRYSA-N 1 1 305.378 2.504 20 5 DFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072697580 398630613 /nfs/dbraw/zinc/63/06/13/398630613.db2.gz IYIUWXWDHTUKBH-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO CCOc1ccc([C@@H](C)[NH2+]CCN(CC)CC)cc1[N+](=O)[O-] ZINC000152559250 186085108 /nfs/dbraw/zinc/08/51/08/186085108.db2.gz QQNFMNKLMUTNSX-CYBMUJFWSA-N 1 1 309.410 2.986 20 5 DFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593470109 398639093 /nfs/dbraw/zinc/63/90/93/398639093.db2.gz PSHYZJPFOZZWDX-RYUDHWBXSA-N 1 1 300.362 2.672 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000179683522 186205019 /nfs/dbraw/zinc/20/50/19/186205019.db2.gz QWDUNKJEOMBGCC-NEPJUHHUSA-N 1 1 306.362 2.939 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459713294 299170979 /nfs/dbraw/zinc/17/09/79/299170979.db2.gz KTUYAFIUICIVMX-IUODEOHRSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459713294 299170981 /nfs/dbraw/zinc/17/09/81/299170981.db2.gz KTUYAFIUICIVMX-IUODEOHRSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000072952825 398650748 /nfs/dbraw/zinc/65/07/48/398650748.db2.gz AIYHOBSBQMFUSG-UHFFFAOYSA-N 1 1 303.284 2.669 20 5 DFBDMO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000270455242 186394192 /nfs/dbraw/zinc/39/41/92/186394192.db2.gz DLKBKGYEJWIWPP-SNVBAGLBSA-N 1 1 312.675 2.651 20 5 DFBDMO O=C(NCC[N@@H+]1CC=CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279835638 186502449 /nfs/dbraw/zinc/50/24/49/186502449.db2.gz GDFJSOXFHBGGFQ-UHFFFAOYSA-N 1 1 324.768 2.632 20 5 DFBDMO CCc1nn(C)c(NCCCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000094136768 398654570 /nfs/dbraw/zinc/65/45/70/398654570.db2.gz GGKTUXOHOWCJGJ-ZDUSSCGKSA-N 1 1 323.441 2.815 20 5 DFBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000171680153 197965628 /nfs/dbraw/zinc/96/56/28/197965628.db2.gz SLUPNQJDZUMVJO-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000171951246 198013985 /nfs/dbraw/zinc/01/39/85/198013985.db2.gz FYRAMAGNFGZMAL-NSHDSACASA-N 1 1 309.366 2.520 20 5 DFBDMO COc1cc(C[N@H+](C)Cc2ccc(C)cn2)ccc1[N+](=O)[O-] ZINC000590754962 398666779 /nfs/dbraw/zinc/66/67/79/398666779.db2.gz WOEIYJMNAOLMRL-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO COc1cc(C[N@@H+](C)Cc2ccc(C)cn2)ccc1[N+](=O)[O-] ZINC000590754962 398666784 /nfs/dbraw/zinc/66/67/84/398666784.db2.gz WOEIYJMNAOLMRL-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590762247 398669047 /nfs/dbraw/zinc/66/90/47/398669047.db2.gz IXHSLWJUJMPYCK-PRHODGIISA-N 1 1 304.268 2.569 20 5 DFBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590762247 398669051 /nfs/dbraw/zinc/66/90/51/398669051.db2.gz IXHSLWJUJMPYCK-PRHODGIISA-N 1 1 304.268 2.569 20 5 DFBDMO Cc1c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000172835646 198155897 /nfs/dbraw/zinc/15/58/97/198155897.db2.gz MZPQAGAORVEJAH-CQSZACIVSA-N 1 1 319.405 2.850 20 5 DFBDMO CCOC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000072976744 191262046 /nfs/dbraw/zinc/26/20/46/191262046.db2.gz QNMUCSNSGVDYIW-AWEZNQCLSA-N 1 1 308.378 2.722 20 5 DFBDMO C[C@H](C(=O)NCC[N@H+]1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000590889219 398696732 /nfs/dbraw/zinc/69/67/32/398696732.db2.gz MXPFNHPOOIWQPD-ZDUSSCGKSA-N 1 1 319.405 2.689 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597854789 398704569 /nfs/dbraw/zinc/70/45/69/398704569.db2.gz LOGPCOOPWVWJPX-CYBMUJFWSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597859325 398705787 /nfs/dbraw/zinc/70/57/87/398705787.db2.gz UONKGALSDGYRDO-ZDUSSCGKSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1sc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859323 398706109 /nfs/dbraw/zinc/70/61/09/398706109.db2.gz UNYXJBKJBRBWKM-SNVBAGLBSA-N 1 1 311.407 2.567 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444160 398707279 /nfs/dbraw/zinc/70/72/79/398707279.db2.gz XJCJHJWCANQLMW-ZFWWWQNUSA-N 1 1 308.378 2.599 20 5 DFBDMO Cc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000174757193 198380809 /nfs/dbraw/zinc/38/08/09/198380809.db2.gz CZKUMEQPFKLYTK-OLZOCXBDSA-N 1 1 318.377 2.604 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780440 198384336 /nfs/dbraw/zinc/38/43/36/198384336.db2.gz CFXALTJLJMGIQV-RHSMWYFYSA-N 1 1 305.422 2.799 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780440 198384337 /nfs/dbraw/zinc/38/43/37/198384337.db2.gz CFXALTJLJMGIQV-RHSMWYFYSA-N 1 1 305.422 2.799 20 5 DFBDMO Cc1c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597924675 398721851 /nfs/dbraw/zinc/72/18/51/398721851.db2.gz JPKNWDBOVQXYHC-LBPRGKRZSA-N 1 1 305.378 2.506 20 5 DFBDMO CCC(C)(C)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000594021244 398724100 /nfs/dbraw/zinc/72/41/00/398724100.db2.gz PVBZDWYAXCPROJ-UHFFFAOYSA-N 1 1 307.394 2.607 20 5 DFBDMO Cc1c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000046953659 398727135 /nfs/dbraw/zinc/72/71/35/398727135.db2.gz GYMVGEVCNOEOST-STQMWFEESA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000047264637 398742430 /nfs/dbraw/zinc/74/24/30/398742430.db2.gz LLAQKIMENBXCHV-CQSZACIVSA-N 1 1 312.373 2.873 20 5 DFBDMO COc1cc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000080847860 192195470 /nfs/dbraw/zinc/19/54/70/192195470.db2.gz FQIHWJBKQFLDAL-UHFFFAOYSA-N 1 1 316.357 2.984 20 5 DFBDMO Cc1sc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594201001 398764129 /nfs/dbraw/zinc/76/41/29/398764129.db2.gz MGRISQJINMCNFH-NEPJUHHUSA-N 1 1 323.418 2.711 20 5 DFBDMO Cc1c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594201741 398765056 /nfs/dbraw/zinc/76/50/56/398765056.db2.gz QOLURUQUJMGYMC-ZBFHGGJFSA-N 1 1 317.389 2.650 20 5 DFBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000081290418 192244878 /nfs/dbraw/zinc/24/48/78/192244878.db2.gz YHMBAGWWHVKKTA-AWEZNQCLSA-N 1 1 317.389 2.589 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000081363678 192257753 /nfs/dbraw/zinc/25/77/53/192257753.db2.gz YJYIFALCHYYBPJ-GFCCVEGCSA-N 1 1 323.368 2.538 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000081361402 192257945 /nfs/dbraw/zinc/25/79/45/192257945.db2.gz TUJNPNLNLFNSKJ-CQSZACIVSA-N 1 1 319.405 2.707 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCCN1)C1CC1 ZINC000591578043 398773192 /nfs/dbraw/zinc/77/31/92/398773192.db2.gz PAYLWBHBHNJPBI-JKSUJKDBSA-N 1 1 303.406 2.648 20 5 DFBDMO CCOc1cc(CN2CC[C@H](C[N@@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897073 213160435 /nfs/dbraw/zinc/16/04/35/213160435.db2.gz LATOYOVPJHYUSV-OAHLLOKOSA-N 1 1 321.421 2.767 20 5 DFBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cnn(C)c1 ZINC000178728235 198918182 /nfs/dbraw/zinc/91/81/82/198918182.db2.gz RKMQOUVUZONZKO-CQSZACIVSA-N 1 1 304.350 2.578 20 5 DFBDMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075590046 398811821 /nfs/dbraw/zinc/81/18/21/398811821.db2.gz HLUBZYJUFROPLL-STQMWFEESA-N 1 1 306.362 2.931 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 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DFBDMO CCO[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076407042 398855377 /nfs/dbraw/zinc/85/53/77/398855377.db2.gz FACDJOLCMBOQPT-INIZCTEOSA-N 1 1 308.378 2.865 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC1CC1 ZINC000053183757 398864832 /nfs/dbraw/zinc/86/48/32/398864832.db2.gz CISTULZCALTYFO-VIFPVBQESA-N 1 1 311.769 2.917 20 5 DFBDMO Cc1nn(C)c(NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000076795432 398870074 /nfs/dbraw/zinc/87/00/74/398870074.db2.gz UZIDKQWHHLNLHR-GFCCVEGCSA-N 1 1 309.414 2.703 20 5 DFBDMO CC(C)(C)OC(=O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153187076 283356553 /nfs/dbraw/zinc/35/65/53/283356553.db2.gz UUVHJUUUEPDXHX-UHFFFAOYSA-N 1 1 306.362 2.685 20 5 DFBDMO CC(C)(C)OC(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153187076 283356555 /nfs/dbraw/zinc/35/65/55/283356555.db2.gz UUVHJUUUEPDXHX-UHFFFAOYSA-N 1 1 306.362 2.685 20 5 DFBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000053580474 398878191 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Cc1noc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000054678559 398907259 /nfs/dbraw/zinc/90/72/59/398907259.db2.gz GPKZWKXKBAPYKI-UHFFFAOYSA-N 1 1 302.334 2.666 20 5 DFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599045212 398911939 /nfs/dbraw/zinc/91/19/39/398911939.db2.gz GSYLDONBUKEDSG-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO CC[C@@]1(CO)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000187634014 200137184 /nfs/dbraw/zinc/13/71/84/200137184.db2.gz HQSXFPFXHBEIIY-MRXNPFEDSA-N 1 1 319.361 2.721 20 5 DFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000187634014 200137185 /nfs/dbraw/zinc/13/71/85/200137185.db2.gz HQSXFPFXHBEIIY-MRXNPFEDSA-N 1 1 319.361 2.721 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599071857 398917376 /nfs/dbraw/zinc/91/73/76/398917376.db2.gz UULAXZRYFYXYFA-ZIAGYGMSSA-N 1 1 321.421 2.986 20 5 DFBDMO Cn1cc(C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000595301331 398919779 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20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000595387913 398930748 /nfs/dbraw/zinc/93/07/48/398930748.db2.gz FAUNKQYXFIRCMZ-TZMCWYRMSA-N 1 1 308.353 2.982 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOC[C@H]2CCCO2)C2CC2)c1 ZINC000153305702 398936185 /nfs/dbraw/zinc/93/61/85/398936185.db2.gz YCGCAUKDWQJEDA-QGZVFWFLSA-N 1 1 320.389 2.755 20 5 DFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055749892 398941854 /nfs/dbraw/zinc/94/18/54/398941854.db2.gz GIOYLVUGOOVEAF-HZSPNIEDSA-N 1 1 319.405 2.691 20 5 DFBDMO CC(C)CNC(=O)CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595473330 398945905 /nfs/dbraw/zinc/94/59/05/398945905.db2.gz ARQYBMTXROMEQV-UHFFFAOYSA-N 1 1 321.421 2.622 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c1[N+](=O)[O-] ZINC000595481465 398946959 /nfs/dbraw/zinc/94/69/59/398946959.db2.gz HJFOSJVGGDCPKY-ZENOOKHLSA-N 1 1 323.393 2.797 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 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YWMNMFCOITUACB-UHFFFAOYSA-N 1 1 313.304 2.870 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271880643 209291693 /nfs/dbraw/zinc/29/16/93/209291693.db2.gz BYANSGAYLZMZHO-UHFFFAOYSA-N 1 1 317.389 2.512 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056502875 398975303 /nfs/dbraw/zinc/97/53/03/398975303.db2.gz QIKSKDQJYBNDPC-QWHCGFSZSA-N 1 1 320.393 2.837 20 5 DFBDMO CCC(=O)c1ccc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000281513116 216352903 /nfs/dbraw/zinc/35/29/03/216352903.db2.gz PSKUEKRQAUEZSJ-BLLLJJGKSA-N 1 1 317.389 2.718 20 5 DFBDMO COCCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599508284 398998458 /nfs/dbraw/zinc/99/84/58/398998458.db2.gz ZIYKOFGJXBOKTO-UHFFFAOYSA-N 1 1 318.377 2.720 20 5 DFBDMO COC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000474791556 299338954 /nfs/dbraw/zinc/33/89/54/299338954.db2.gz RUDBEGVMNDDHID-RYUDHWBXSA-N 1 1 321.377 2.584 20 5 DFBDMO COC[C@@]1(C)C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600217276 399009535 /nfs/dbraw/zinc/00/95/35/399009535.db2.gz HAXWBNCUKNNVTL-CRPZLVSXSA-N 1 1 320.389 2.735 20 5 DFBDMO COC[C@@]1(C)C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600217276 399009540 /nfs/dbraw/zinc/00/95/40/399009540.db2.gz HAXWBNCUKNNVTL-CRPZLVSXSA-N 1 1 320.389 2.735 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275435939 212329876 /nfs/dbraw/zinc/32/98/76/212329876.db2.gz WAORBAFUXNKNGU-GFCCVEGCSA-N 1 1 304.394 2.707 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632145 399036179 /nfs/dbraw/zinc/03/61/79/399036179.db2.gz UTTRJAMRFXZGCL-HCZJVJLPSA-N 1 1 308.403 2.641 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000595695836 399039153 /nfs/dbraw/zinc/03/91/53/399039153.db2.gz ICAVRHKSNWRXDY-IUODEOHRSA-N 1 1 308.378 2.586 20 5 DFBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245533752 291363060 /nfs/dbraw/zinc/36/30/60/291363060.db2.gz VKDIVQYTNQNOKR-QWHCGFSZSA-N 1 1 306.362 2.849 20 5 DFBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000599695193 399067873 /nfs/dbraw/zinc/06/78/73/399067873.db2.gz JZNMMTUROGLUMF-OAHLLOKOSA-N 1 1 318.377 2.733 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000058257213 399078246 /nfs/dbraw/zinc/07/82/46/399078246.db2.gz IRSUWRPRZOSOKM-SOFGYWHQSA-N 1 1 323.368 2.594 20 5 DFBDMO Cc1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000298742233 284024831 /nfs/dbraw/zinc/02/48/31/284024831.db2.gz RWGXNKDDEVRFKS-AGUYFDCRSA-N 1 1 318.377 2.650 20 5 DFBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595785183 399084448 /nfs/dbraw/zinc/08/44/48/399084448.db2.gz WEQBNSLELICFBR-RBSFLKMASA-N 1 1 322.405 2.845 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccon2)CC1 ZINC000595838827 399108099 /nfs/dbraw/zinc/10/80/99/399108099.db2.gz XAEWZMNTUDMNMM-UHFFFAOYSA-N 1 1 317.345 2.971 20 5 DFBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1O ZINC000339100356 284136708 /nfs/dbraw/zinc/13/67/08/284136708.db2.gz XIEHVQJEVTXNFL-RNCFNFMXSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1O ZINC000339100356 284136711 /nfs/dbraw/zinc/13/67/11/284136711.db2.gz XIEHVQJEVTXNFL-RNCFNFMXSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000339230047 284137739 /nfs/dbraw/zinc/13/77/39/284137739.db2.gz DXVLAIRSUYZFTR-AWEZNQCLSA-N 1 1 319.405 2.818 20 5 DFBDMO CC(C)NC(=O)[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595850596 399112651 /nfs/dbraw/zinc/11/26/51/399112651.db2.gz MLEFZTMPJIXHQC-HIFRSBDPSA-N 1 1 319.405 2.892 20 5 DFBDMO CCCCC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595869430 399117574 /nfs/dbraw/zinc/11/75/74/399117574.db2.gz AWHLPJZWJIOZLX-GOEBONIOSA-N 1 1 324.425 2.587 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595874420 399118809 /nfs/dbraw/zinc/11/88/09/399118809.db2.gz OMTLANRZFNRVCJ-DYVFJYSZSA-N 1 1 322.405 2.832 20 5 DFBDMO CCOCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093315079 193229965 /nfs/dbraw/zinc/22/99/65/193229965.db2.gz QAORWLGIJYKVNV-UHFFFAOYSA-N 1 1 305.334 2.718 20 5 DFBDMO CCOCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093315079 193229967 /nfs/dbraw/zinc/22/99/67/193229967.db2.gz QAORWLGIJYKVNV-UHFFFAOYSA-N 1 1 305.334 2.718 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000093690946 193289342 /nfs/dbraw/zinc/28/93/42/193289342.db2.gz LVKTZBQNDSIVKG-MRXNPFEDSA-N 1 1 313.357 2.952 20 5 DFBDMO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000340901167 284217009 /nfs/dbraw/zinc/21/70/09/284217009.db2.gz ODOSSMDHFUEBIY-VXGBXAGGSA-N 1 1 307.394 2.939 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC3CC2(C)C3)cccc1[N+](=O)[O-] ZINC000595915740 399134749 /nfs/dbraw/zinc/13/47/49/399134749.db2.gz NAIJDIJNHXBSHC-FZWSLVFFSA-N 1 1 303.362 2.715 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC3CC2(C)C3)cccc1[N+](=O)[O-] ZINC000595915740 399134752 /nfs/dbraw/zinc/13/47/52/399134752.db2.gz NAIJDIJNHXBSHC-FZWSLVFFSA-N 1 1 303.362 2.715 20 5 DFBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000341234497 284255486 /nfs/dbraw/zinc/25/54/86/284255486.db2.gz BIHAYFGLIWCMCG-AWEZNQCLSA-N 1 1 312.373 2.873 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[NH2+]CC2(F)F)c(Cl)c1 ZINC000420286562 296169673 /nfs/dbraw/zinc/16/96/73/296169673.db2.gz QIAGYKKSBKMIGK-MRVPVSSYSA-N 1 1 305.712 2.905 20 5 DFBDMO CC[N@@H+](C)Cc1cccc(CNc2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000264959440 204305843 /nfs/dbraw/zinc/30/58/43/204305843.db2.gz XCIFCXDNEHFNEB-UHFFFAOYSA-N 1 1 317.393 2.701 20 5 DFBDMO Cc1cc(N2CC[NH+](Cc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000080585490 399160322 /nfs/dbraw/zinc/16/03/22/399160322.db2.gz SVELOWTZFHSUSE-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO COc1cc(N2CC[N@H+]3CCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596074999 399164873 /nfs/dbraw/zinc/16/48/73/399164873.db2.gz WHQSYQXWTXPLTA-JTQLQIEISA-N 1 1 311.769 2.541 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000596100721 399172867 /nfs/dbraw/zinc/17/28/67/399172867.db2.gz AXRGOAFIWULDFP-NOAVELHRSA-N 1 1 315.417 2.648 20 5 DFBDMO COc1ccc(C[N@H+]2CCCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000342029504 284311230 /nfs/dbraw/zinc/31/12/30/284311230.db2.gz FTHIDVKYVXXRCK-AWEZNQCLSA-N 1 1 308.378 2.730 20 5 DFBDMO Cc1cc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596124050 399181577 /nfs/dbraw/zinc/18/15/77/399181577.db2.gz SWXCUDCTMYNHLH-GFCCVEGCSA-N 1 1 324.450 2.545 20 5 DFBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596124050 399181583 /nfs/dbraw/zinc/18/15/83/399181583.db2.gz SWXCUDCTMYNHLH-GFCCVEGCSA-N 1 1 324.450 2.545 20 5 DFBDMO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271701676 209138453 /nfs/dbraw/zinc/13/84/53/209138453.db2.gz HLJHKCWJHCQXII-MOKVOYLWSA-N 1 1 319.405 2.940 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600955935 399186338 /nfs/dbraw/zinc/18/63/38/399186338.db2.gz KAYQZPWVIZHHCZ-GFCCVEGCSA-N 1 1 323.368 2.728 20 5 DFBDMO COc1cc(N2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000266132522 205123412 /nfs/dbraw/zinc/12/34/12/205123412.db2.gz DKGXGHNLGYXATM-UHFFFAOYSA-N 1 1 317.345 2.519 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000266161426 205148119 /nfs/dbraw/zinc/14/81/19/205148119.db2.gz ZSOOVDWSQXTAMI-CHWSQXEVSA-N 1 1 301.350 2.584 20 5 DFBDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614252423 399190117 /nfs/dbraw/zinc/19/01/17/399190117.db2.gz RXVRWOCAYFURHP-YPMHNXCESA-N 1 1 306.362 2.986 20 5 DFBDMO COc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000596156395 399194774 /nfs/dbraw/zinc/19/47/74/399194774.db2.gz OVCFSSJEJLUNJJ-VXGBXAGGSA-N 1 1 305.378 2.949 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000266224423 205196095 /nfs/dbraw/zinc/19/60/95/205196095.db2.gz RJTWLXFFIKDGCB-CYBMUJFWSA-N 1 1 305.378 2.575 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000266324337 205268582 /nfs/dbraw/zinc/26/85/82/205268582.db2.gz GAXNLSIOFQOMFA-UHFFFAOYSA-N 1 1 313.357 2.623 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000063711051 399203822 /nfs/dbraw/zinc/20/38/22/399203822.db2.gz WDRMKSHKTIGJAJ-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000063785257 399207962 /nfs/dbraw/zinc/20/79/62/399207962.db2.gz DOOQGQPWJZROKT-UHFFFAOYSA-N 1 1 320.393 2.933 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342608336 284379186 /nfs/dbraw/zinc/37/91/86/284379186.db2.gz SIGNQIAKQWROPJ-OAHLLOKOSA-N 1 1 308.378 2.994 20 5 DFBDMO C[NH+](C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000018177046 182096375 /nfs/dbraw/zinc/09/63/75/182096375.db2.gz IHNBOTLUMRKXLE-CYBMUJFWSA-N 1 1 318.333 2.612 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+](CCO)Cc2ccccc2)cc1 ZINC000064845242 399233595 /nfs/dbraw/zinc/23/35/95/399233595.db2.gz HLSMNROUGLFVPF-UHFFFAOYSA-N 1 1 300.358 2.632 20 5 DFBDMO C[C@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C1CCOCC1 ZINC000601130167 399235482 /nfs/dbraw/zinc/23/54/82/399235482.db2.gz QHPUYZNPWXBMEP-NSHDSACASA-N 1 1 301.346 2.792 20 5 DFBDMO C[C@@H]1C[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601137431 399238674 /nfs/dbraw/zinc/23/86/74/399238674.db2.gz XRCFNVLHNZLRBR-VXGBXAGGSA-N 1 1 301.346 2.792 20 5 DFBDMO CC1(C)C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601135238 399237179 /nfs/dbraw/zinc/23/71/79/399237179.db2.gz SJBVBPRBURHSNU-LLVKDONJSA-N 1 1 301.346 2.934 20 5 DFBDMO CC(C)(O)[C@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601136807 399238959 /nfs/dbraw/zinc/23/89/59/399238959.db2.gz XTNZUOCTPRADQO-OAHLLOKOSA-N 1 1 301.346 2.883 20 5 DFBDMO Cc1nc(C)c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601149517 399241961 /nfs/dbraw/zinc/24/19/61/399241961.db2.gz NKCOEJGDFVWAAK-OAHLLOKOSA-N 1 1 321.402 2.665 20 5 DFBDMO CC(C)[N@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267632977 206186440 /nfs/dbraw/zinc/18/64/40/206186440.db2.gz STWTYBYOKIHYKJ-UHFFFAOYSA-N 1 1 318.377 2.652 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000267641135 206190910 /nfs/dbraw/zinc/19/09/10/206190910.db2.gz IVLVAQDGIRFZPK-PHIMTYICSA-N 1 1 302.334 2.733 20 5 DFBDMO C[C@@H]1C[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@@H](C)O1 ZINC000601175981 399248472 /nfs/dbraw/zinc/24/84/72/399248472.db2.gz MILZCEFJGBPBFN-IJLUTSLNSA-N 1 1 301.346 2.790 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](n4ccnn4)C3)c2c1 ZINC000601179520 399249211 /nfs/dbraw/zinc/24/92/11/399249211.db2.gz WYFPKVSELNAXGP-CYBMUJFWSA-N 1 1 324.344 2.576 20 5 DFBDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421000403 296222416 /nfs/dbraw/zinc/22/24/16/296222416.db2.gz COUOGUJDZBMHRF-ABAIWWIYSA-N 1 1 317.345 2.595 20 5 DFBDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421000403 296222417 /nfs/dbraw/zinc/22/24/17/296222417.db2.gz COUOGUJDZBMHRF-ABAIWWIYSA-N 1 1 317.345 2.595 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[N@H+]1C ZINC000421004012 296223479 /nfs/dbraw/zinc/22/34/79/296223479.db2.gz NSNHZZGYGILWJX-INIZCTEOSA-N 1 1 321.421 2.908 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H](CCO)CC2)ccc1[N+](=O)[O-] ZINC000421023082 296227476 /nfs/dbraw/zinc/22/74/76/296227476.db2.gz VVYKKKICLCJMKP-CYBMUJFWSA-N 1 1 308.378 2.588 20 5 DFBDMO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000601281666 399269899 /nfs/dbraw/zinc/26/98/99/399269899.db2.gz SGZPCCDXZYRJMG-AEGPPILISA-N 1 1 319.405 2.811 20 5 DFBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344433735 284602152 /nfs/dbraw/zinc/60/21/52/284602152.db2.gz JYFIGFNNHMLXQZ-CYBMUJFWSA-N 1 1 301.350 2.590 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000609133565 399304621 /nfs/dbraw/zinc/30/46/21/399304621.db2.gz IIDAICIQMSKRJO-OAHLLOKOSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000609258670 399310354 /nfs/dbraw/zinc/31/03/54/399310354.db2.gz NTEJJIZLLBGIPG-GFCCVEGCSA-N 1 1 320.374 2.639 20 5 DFBDMO O=C(C[N@@H+]1CC[C@@H](c2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609540172 399322073 /nfs/dbraw/zinc/32/20/73/399322073.db2.gz RZEWYTZVNMHFDM-GFCCVEGCSA-N 1 1 315.329 2.616 20 5 DFBDMO O=C(C[N@H+]1CC[C@@H](c2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609540172 399322074 /nfs/dbraw/zinc/32/20/74/399322074.db2.gz RZEWYTZVNMHFDM-GFCCVEGCSA-N 1 1 315.329 2.616 20 5 DFBDMO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000609671702 399329364 /nfs/dbraw/zinc/32/93/64/399329364.db2.gz JEKXQMMHERWOSG-UHFFFAOYSA-N 1 1 308.378 2.863 20 5 DFBDMO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000609671702 399329366 /nfs/dbraw/zinc/32/93/66/399329366.db2.gz JEKXQMMHERWOSG-UHFFFAOYSA-N 1 1 308.378 2.863 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284695806 218137795 /nfs/dbraw/zinc/13/77/95/218137795.db2.gz IFDGOBLYLTWMBP-HIFRSBDPSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H](c1ccncc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000610391388 399362919 /nfs/dbraw/zinc/36/29/19/399362919.db2.gz DTSIQVGYQKOLQL-TZMCWYRMSA-N 1 1 313.361 2.632 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000619566977 399362818 /nfs/dbraw/zinc/36/28/18/399362818.db2.gz FMHMMCAXJCQSGB-LLVKDONJSA-N 1 1 311.407 2.521 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000284884089 218220597 /nfs/dbraw/zinc/22/05/97/218220597.db2.gz TWSBTYVWOGDDGZ-ZFWWWQNUSA-N 1 1 324.352 2.886 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000284884089 218220601 /nfs/dbraw/zinc/22/06/01/218220601.db2.gz TWSBTYVWOGDDGZ-ZFWWWQNUSA-N 1 1 324.352 2.886 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284883997 218221801 /nfs/dbraw/zinc/22/18/01/218221801.db2.gz TVKCOQKYTNQGJF-AAEUAGOBSA-N 1 1 323.349 2.628 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000610476361 399370834 /nfs/dbraw/zinc/37/08/34/399370834.db2.gz WFDXWCCJACOXHY-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000610476361 399370838 /nfs/dbraw/zinc/37/08/38/399370838.db2.gz WFDXWCCJACOXHY-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601972378 399371891 /nfs/dbraw/zinc/37/18/91/399371891.db2.gz ZOGKTCBYGFLVMR-PKXJPQMGSA-N 1 1 312.316 2.964 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601972378 399371893 /nfs/dbraw/zinc/37/18/93/399371893.db2.gz ZOGKTCBYGFLVMR-PKXJPQMGSA-N 1 1 312.316 2.964 20 5 DFBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000285065248 218277274 /nfs/dbraw/zinc/27/72/74/218277274.db2.gz LTPRNOMFKHTTMN-HNNXBMFYSA-N 1 1 319.405 2.784 20 5 DFBDMO Cc1[nH+]cn(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000106440339 194214414 /nfs/dbraw/zinc/21/44/14/194214414.db2.gz TUFRKKKASVRVOT-UHFFFAOYSA-N 1 1 302.334 2.745 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@@H]43)n2)c1 ZINC000610585564 399383942 /nfs/dbraw/zinc/38/39/42/399383942.db2.gz UPCIXXYSFMJJKY-AAEUAGOBSA-N 1 1 300.318 2.629 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@@H]43)n2)c1 ZINC000610585564 399383944 /nfs/dbraw/zinc/38/39/44/399383944.db2.gz UPCIXXYSFMJJKY-AAEUAGOBSA-N 1 1 300.318 2.629 20 5 DFBDMO Cc1nn(C)c(Cl)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285236590 218345097 /nfs/dbraw/zinc/34/50/97/218345097.db2.gz GHNRJKXDFZZRGW-UHFFFAOYSA-N 1 1 322.796 2.965 20 5 DFBDMO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285236590 218345098 /nfs/dbraw/zinc/34/50/98/218345098.db2.gz GHNRJKXDFZZRGW-UHFFFAOYSA-N 1 1 322.796 2.965 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000610674846 399391152 /nfs/dbraw/zinc/39/11/52/399391152.db2.gz KCNVBWJGAOKYHM-WCQYABFASA-N 1 1 320.393 2.673 20 5 DFBDMO CC[N@@H+]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)[C@@H](C)C1 ZINC000610678653 399391970 /nfs/dbraw/zinc/39/19/70/399391970.db2.gz YVNZMSVZVMZXQN-NHYWBVRUSA-N 1 1 300.362 2.895 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000610677372 399392134 /nfs/dbraw/zinc/39/21/34/399392134.db2.gz MASIGRVCNRWTOL-HNNXBMFYSA-N 1 1 319.405 2.594 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000610677373 399392421 /nfs/dbraw/zinc/39/24/21/399392421.db2.gz MASIGRVCNRWTOL-OAHLLOKOSA-N 1 1 319.405 2.594 20 5 DFBDMO CCC[C@@H]([NH2+][C@H](C)c1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000268845518 207012760 /nfs/dbraw/zinc/01/27/60/207012760.db2.gz GFSGANQNBPDYOK-BXUZGUMPSA-N 1 1 303.366 2.915 20 5 DFBDMO CCOC(=O)c1cc(N[C@@H]2C[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000610716240 399396559 /nfs/dbraw/zinc/39/65/59/399396559.db2.gz FGBWETUELWYDHL-BXUZGUMPSA-N 1 1 321.377 2.524 20 5 DFBDMO C[N@H+]1CCCC[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602126956 399398521 /nfs/dbraw/zinc/39/85/21/399398521.db2.gz YHYQMAFUDNLRIW-INIZCTEOSA-N 1 1 317.389 2.570 20 5 DFBDMO COc1ccc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610999286 399427627 /nfs/dbraw/zinc/42/76/27/399427627.db2.gz YTASJGUDWRLWKN-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO C[C@H](NC[C@@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269020709 207170653 /nfs/dbraw/zinc/17/06/53/207170653.db2.gz ZZOSZVUJMXWBDW-WFASDCNBSA-N 1 1 309.435 2.683 20 5 DFBDMO CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157962216 197231288 /nfs/dbraw/zinc/23/12/88/197231288.db2.gz OXNOEWVSFMXSOW-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO CCC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000611153936 399439320 /nfs/dbraw/zinc/43/93/20/399439320.db2.gz NZYJMOPURRDPCF-INIZCTEOSA-N 1 1 308.378 2.865 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000269063711 207212889 /nfs/dbraw/zinc/21/28/89/207212889.db2.gz UUOWVVMKXQYKLA-WMLDXEAASA-N 1 1 320.389 2.730 20 5 DFBDMO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC000602471214 399453413 /nfs/dbraw/zinc/45/34/13/399453413.db2.gz KKDOVBQCGKYVNM-KGLIPLIRSA-N 1 1 324.425 2.744 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000611268069 399454888 /nfs/dbraw/zinc/45/48/88/399454888.db2.gz CQILZCDZRIXVNA-OAHLLOKOSA-N 1 1 300.362 2.937 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000611282365 399457594 /nfs/dbraw/zinc/45/75/94/399457594.db2.gz NQPINANOQXQDAI-TZMCWYRMSA-N 1 1 319.405 2.590 20 5 DFBDMO O=[N+]([O-])c1cc(CN2CCC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000062940748 184260994 /nfs/dbraw/zinc/26/09/94/184260994.db2.gz KUSHCCZCSHKALP-CYBMUJFWSA-N 1 1 309.797 2.918 20 5 DFBDMO C[C@@H](CN1CCCCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602510568 399464005 /nfs/dbraw/zinc/46/40/05/399464005.db2.gz ZQVPBEYKXLYOEO-LBPRGKRZSA-N 1 1 318.377 2.700 20 5 DFBDMO CC(C)[N@@H+](C)CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602511890 399464822 /nfs/dbraw/zinc/46/48/22/399464822.db2.gz VIUXJUGIWACFAM-UHFFFAOYSA-N 1 1 306.366 2.556 20 5 DFBDMO Cc1cc[nH+]c(N2CCN(c3sccc3[N+](=O)[O-])CC2)c1 ZINC000611413728 399473151 /nfs/dbraw/zinc/47/31/51/399473151.db2.gz PFIDWZZQIWPOTB-UHFFFAOYSA-N 1 1 304.375 2.686 20 5 DFBDMO CC[N@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000611444781 399477684 /nfs/dbraw/zinc/47/76/84/399477684.db2.gz HTJWDAHPGJQNGJ-CYBMUJFWSA-N 1 1 314.389 2.982 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@H]2C[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000611475954 399480181 /nfs/dbraw/zinc/48/01/81/399480181.db2.gz ZWQTXBNGKXWIKF-IPYPFGDCSA-N 1 1 321.421 2.984 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@H]2C[N@@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000611475954 399480184 /nfs/dbraw/zinc/48/01/84/399480184.db2.gz ZWQTXBNGKXWIKF-IPYPFGDCSA-N 1 1 321.421 2.984 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@H]2C[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000611475957 399480074 /nfs/dbraw/zinc/48/00/74/399480074.db2.gz ZWQTXBNGKXWIKF-YDHLFZDLSA-N 1 1 321.421 2.984 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@H]2C[N@@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000611475957 399480077 /nfs/dbraw/zinc/48/00/77/399480077.db2.gz ZWQTXBNGKXWIKF-YDHLFZDLSA-N 1 1 321.421 2.984 20 5 DFBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCC1 ZINC000611515271 399485587 /nfs/dbraw/zinc/48/55/87/399485587.db2.gz SJWBLPHSAAIEDI-UHFFFAOYSA-N 1 1 308.378 2.994 20 5 DFBDMO Cc1ccc([C@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cc1 ZINC000602609758 399489688 /nfs/dbraw/zinc/48/96/88/399489688.db2.gz VJRWLCOZXLWKPA-AWEZNQCLSA-N 1 1 300.362 2.626 20 5 DFBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1CC(O)C1 ZINC000602628403 399495822 /nfs/dbraw/zinc/49/58/22/399495822.db2.gz XAFXXFFFHWUWMK-UHFFFAOYSA-N 1 1 318.295 2.816 20 5 DFBDMO Cc1sc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000346912488 284976524 /nfs/dbraw/zinc/97/65/24/284976524.db2.gz DXHJWARXZXKKMF-UHFFFAOYSA-N 1 1 306.347 2.678 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000611615764 399498991 /nfs/dbraw/zinc/49/89/91/399498991.db2.gz ZZLVCXKYSCLSAC-OKILXGFUSA-N 1 1 322.409 2.518 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000611616732 399499082 /nfs/dbraw/zinc/49/90/82/399499082.db2.gz AFYQGFPRNCRKGK-CQSZACIVSA-N 1 1 306.410 2.917 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)n1 ZINC000611616430 399499114 /nfs/dbraw/zinc/49/91/14/399499114.db2.gz OAEHXLWAOHETOR-KGLIPLIRSA-N 1 1 304.394 2.670 20 5 DFBDMO CO[C@@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000602652315 399503287 /nfs/dbraw/zinc/50/32/87/399503287.db2.gz WSHLXZLOBGJIDX-KRWDZBQOSA-N 1 1 322.405 2.511 20 5 DFBDMO Cc1ccnc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000616747693 399508993 /nfs/dbraw/zinc/50/89/93/399508993.db2.gz WAVOANDZYRJGSC-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1cn(C)nn1 ZINC000347381019 285021485 /nfs/dbraw/zinc/02/14/85/285021485.db2.gz SVTLHAOFEYDJGD-MDWZMJQESA-N 1 1 315.377 2.649 20 5 DFBDMO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1cn(C)nn1 ZINC000347381019 285021486 /nfs/dbraw/zinc/02/14/86/285021486.db2.gz SVTLHAOFEYDJGD-MDWZMJQESA-N 1 1 315.377 2.649 20 5 DFBDMO COC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000347378158 285020143 /nfs/dbraw/zinc/02/01/43/285020143.db2.gz NOQHLEWQEMTRFR-RAJWMROQSA-N 1 1 320.389 2.734 20 5 DFBDMO COC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000347378158 285020146 /nfs/dbraw/zinc/02/01/46/285020146.db2.gz NOQHLEWQEMTRFR-RAJWMROQSA-N 1 1 320.389 2.734 20 5 DFBDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cc1 ZINC000602671061 399513908 /nfs/dbraw/zinc/51/39/08/399513908.db2.gz TZQSLOQFTZJCNF-OAHLLOKOSA-N 1 1 314.389 2.880 20 5 DFBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCSC1 ZINC000119860284 195051522 /nfs/dbraw/zinc/05/15/22/195051522.db2.gz ZOYJMJHKFPPQOB-GFCCVEGCSA-N 1 1 320.374 2.582 20 5 DFBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCSC1 ZINC000119860284 195051523 /nfs/dbraw/zinc/05/15/23/195051523.db2.gz ZOYJMJHKFPPQOB-GFCCVEGCSA-N 1 1 320.374 2.582 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCSC1 ZINC000120050755 195088198 /nfs/dbraw/zinc/08/81/98/195088198.db2.gz FEKHELXAIWGARC-CYBMUJFWSA-N 1 1 323.418 2.669 20 5 DFBDMO COc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422936758 296357826 /nfs/dbraw/zinc/35/78/26/296357826.db2.gz BSEBPEVADAHGKN-SOUVJXGZSA-N 1 1 319.405 2.614 20 5 DFBDMO COC[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602686129 399520947 /nfs/dbraw/zinc/52/09/47/399520947.db2.gz OZNBBIQRXPOPPV-LBPRGKRZSA-N 1 1 305.334 2.737 20 5 DFBDMO COC[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602686129 399520950 /nfs/dbraw/zinc/52/09/50/399520950.db2.gz OZNBBIQRXPOPPV-LBPRGKRZSA-N 1 1 305.334 2.737 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCn3ncnc31)CCC2 ZINC000192939653 285144911 /nfs/dbraw/zinc/14/49/11/285144911.db2.gz GGOSKQBGWFTQER-HUUCEWRRSA-N 1 1 313.361 2.688 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000602773649 399566991 /nfs/dbraw/zinc/56/69/91/399566991.db2.gz WHBWVHYBYATNRG-CQSZACIVSA-N 1 1 318.352 2.728 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000602778130 399568250 /nfs/dbraw/zinc/56/82/50/399568250.db2.gz FKUSLZPMDLQSIS-BBRMVZONSA-N 1 1 314.389 2.978 20 5 DFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000158167373 197249618 /nfs/dbraw/zinc/24/96/18/197249618.db2.gz KNUODLWHUFVOHQ-GFCCVEGCSA-N 1 1 306.284 2.728 20 5 DFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000158167373 197249620 /nfs/dbraw/zinc/24/96/20/197249620.db2.gz KNUODLWHUFVOHQ-GFCCVEGCSA-N 1 1 306.284 2.728 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCc3occc3C2)c1 ZINC000288762281 220399901 /nfs/dbraw/zinc/39/99/01/220399901.db2.gz IZPIQYYEDOPNKC-OAHLLOKOSA-N 1 1 302.330 2.670 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000157832727 197218476 /nfs/dbraw/zinc/21/84/76/197218476.db2.gz VBOMJNGDSKDMEY-UHFFFAOYSA-N 1 1 307.375 2.605 20 5 DFBDMO CCOCCO[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000157743782 197212074 /nfs/dbraw/zinc/21/20/74/197212074.db2.gz MFIHSECCJSDMLM-HNNXBMFYSA-N 1 1 308.378 2.531 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120320644 195142742 /nfs/dbraw/zinc/14/27/42/195142742.db2.gz FPWNCJUWIJZYMV-XHSDSOJGSA-N 1 1 320.389 2.719 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Cl)s1 ZINC000157411051 197185647 /nfs/dbraw/zinc/18/56/47/197185647.db2.gz CHWUOTNXOUJZTG-UHFFFAOYSA-N 1 1 300.771 2.638 20 5 DFBDMO CCOc1cccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602802008 399580868 /nfs/dbraw/zinc/58/08/68/399580868.db2.gz OEOSNEROKADLCB-LLVKDONJSA-N 1 1 304.350 2.578 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cc(C)ccc1F ZINC000602817966 399587787 /nfs/dbraw/zinc/58/77/87/399587787.db2.gz LEOJEXYXCOKROM-UHFFFAOYSA-N 1 1 306.341 2.679 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cc(C)ccc1F ZINC000602817966 399587790 /nfs/dbraw/zinc/58/77/90/399587790.db2.gz LEOJEXYXCOKROM-UHFFFAOYSA-N 1 1 306.341 2.679 20 5 DFBDMO O=[N+]([O-])c1cnccc1N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000361006642 285187814 /nfs/dbraw/zinc/18/78/14/285187814.db2.gz JAVQGRQGFAWTQU-LBPRGKRZSA-N 1 1 313.361 2.517 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cc(C)ccc1C ZINC000602817408 399587759 /nfs/dbraw/zinc/58/77/59/399587759.db2.gz BCZYDNSXEJOCFY-UHFFFAOYSA-N 1 1 302.378 2.849 20 5 DFBDMO Cn1cc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000602836786 399594729 /nfs/dbraw/zinc/59/47/29/399594729.db2.gz IWIGNOFZBNMWKA-MNOVXSKESA-N 1 1 320.315 2.881 20 5 DFBDMO Cn1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000602836786 399594733 /nfs/dbraw/zinc/59/47/33/399594733.db2.gz IWIGNOFZBNMWKA-MNOVXSKESA-N 1 1 320.315 2.881 20 5 DFBDMO COC(=O)C1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000296810294 533189613 /nfs/dbraw/zinc/18/96/13/533189613.db2.gz PZMDZGPEVCAARA-UHFFFAOYSA-N 1 1 304.346 2.512 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602888155 399615978 /nfs/dbraw/zinc/61/59/78/399615978.db2.gz LHVNSDCLPILJSD-UKRRQHHQSA-N 1 1 315.377 2.975 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152709466 196817821 /nfs/dbraw/zinc/81/78/21/196817821.db2.gz JTCBTGIDVCQTEU-OKILXGFUSA-N 1 1 317.389 2.964 20 5 DFBDMO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000289911560 221311879 /nfs/dbraw/zinc/31/18/79/221311879.db2.gz UFFVTAPRMZCIMD-HOTGVXAUSA-N 1 1 320.389 2.863 20 5 DFBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289996020 221368826 /nfs/dbraw/zinc/36/88/26/221368826.db2.gz YQSOPCMHXWAJKD-NSHDSACASA-N 1 1 300.305 2.951 20 5 DFBDMO C[C@@H]1C[C@H](CC(F)(F)F)[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000602967288 399642453 /nfs/dbraw/zinc/64/24/53/399642453.db2.gz FTSAJIJOSKSMOH-OUAUKWLOSA-N 1 1 320.315 2.843 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997773 399655183 /nfs/dbraw/zinc/65/51/83/399655183.db2.gz QMPQIPJJCSCKMO-XHSDSOJGSA-N 1 1 320.389 2.729 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@](O)(CC)C2)ccc1[N+](=O)[O-] ZINC000602983680 399649424 /nfs/dbraw/zinc/64/94/24/399649424.db2.gz QEZXLGQCTIZNPG-MRXNPFEDSA-N 1 1 308.378 2.730 20 5 DFBDMO COc1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000612746510 399715519 /nfs/dbraw/zinc/71/55/19/399715519.db2.gz RRVDVUNCEUVDKH-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO COc1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000612746510 399715524 /nfs/dbraw/zinc/71/55/24/399715524.db2.gz RRVDVUNCEUVDKH-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(C[NH+]2CCCC2)nn1 ZINC000603249998 399723588 /nfs/dbraw/zinc/72/35/88/399723588.db2.gz ISGPLRFWEJVGOO-CYBMUJFWSA-N 1 1 315.377 2.700 20 5 DFBDMO C[S@@](=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000121821486 195355546 /nfs/dbraw/zinc/35/55/46/195355546.db2.gz AOYPUCFXYJYGRT-AOMKIAJQSA-N 1 1 318.398 2.804 20 5 DFBDMO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000052160034 425884176 /nfs/dbraw/zinc/88/41/76/425884176.db2.gz IBCFYDRSKWGYHM-MNOVXSKESA-N 1 1 323.422 2.836 20 5 DFBDMO COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000293047066 533567575 /nfs/dbraw/zinc/56/75/75/533567575.db2.gz SUIZPUBHRXYZRX-KRWDZBQOSA-N 1 1 319.405 2.521 20 5 DFBDMO CC1(C)[C@H](Nc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000603396505 399764879 /nfs/dbraw/zinc/76/48/79/399764879.db2.gz IXDFSLUDAOGMMZ-CABCVRRESA-N 1 1 305.378 2.506 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)cn1 ZINC000603476076 399779926 /nfs/dbraw/zinc/77/99/26/399779926.db2.gz FHFGYGKIUYUUJE-DAXSKMNVSA-N 1 1 324.384 2.825 20 5 DFBDMO Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261606430 542952262 /nfs/dbraw/zinc/95/22/62/542952262.db2.gz AMLKSNKTFCSIRX-QGZVFWFLSA-N 1 1 312.373 2.641 20 5 DFBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000604556778 399855000 /nfs/dbraw/zinc/85/50/00/399855000.db2.gz JEPSDXVQRRSGQY-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072861509 145190849 /nfs/dbraw/zinc/19/08/49/145190849.db2.gz MQEABHRCQAMCOZ-CQSZACIVSA-N 1 1 323.418 2.751 20 5 DFBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000172417360 145302130 /nfs/dbraw/zinc/30/21/30/145302130.db2.gz UZFWSXHXCZDSBQ-ZDUSSCGKSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000172417360 145302134 /nfs/dbraw/zinc/30/21/34/145302134.db2.gz UZFWSXHXCZDSBQ-ZDUSSCGKSA-N 1 1 323.780 2.559 20 5 DFBDMO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000414007943 543323808 /nfs/dbraw/zinc/32/38/08/543323808.db2.gz UHUSGCNETZVMFV-CYBMUJFWSA-N 1 1 319.405 2.716 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174189245 145371037 /nfs/dbraw/zinc/37/10/37/145371037.db2.gz QZNZAIXECNWOFZ-CHWSQXEVSA-N 1 1 320.393 2.850 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245397748 146064588 /nfs/dbraw/zinc/06/45/88/146064588.db2.gz QGEMRPTTYKPRQQ-CHWSQXEVSA-N 1 1 322.409 2.685 20 5 DFBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245902549 146108584 /nfs/dbraw/zinc/10/85/84/146108584.db2.gz LJJKMJYGIGAQBC-QWHCGFSZSA-N 1 1 305.378 2.901 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000246731118 146152371 /nfs/dbraw/zinc/15/23/71/146152371.db2.gz MFFPVQKVFXAQOA-ZIAGYGMSSA-N 1 1 319.405 2.753 20 5 DFBDMO COC(=O)C[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255741313 146235051 /nfs/dbraw/zinc/23/50/51/146235051.db2.gz QZMBHYKJXCMGDX-HJHHMULASA-N 1 1 304.346 2.636 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000262042776 146326479 /nfs/dbraw/zinc/32/64/79/146326479.db2.gz BZOIFRNUCGWIMI-IXDOHACOSA-N 1 1 303.406 2.995 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000354375584 147013763 /nfs/dbraw/zinc/01/37/63/147013763.db2.gz BQFLKBKKEAUDJS-HNNXBMFYSA-N 1 1 319.405 2.898 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354409334 147026620 /nfs/dbraw/zinc/02/66/20/147026620.db2.gz SEQGLVDCLWXMPL-CQSZACIVSA-N 1 1 323.368 2.728 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354413749 147027744 /nfs/dbraw/zinc/02/77/44/147027744.db2.gz YFTXMSTZHHCUNW-GXTWGEPZSA-N 1 1 305.378 2.540 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354413756 147028640 /nfs/dbraw/zinc/02/86/40/147028640.db2.gz YFTXMSTZHHCUNW-TZMCWYRMSA-N 1 1 305.378 2.540 20 5 DFBDMO CO[C@H](C)C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000354451797 147041999 /nfs/dbraw/zinc/04/19/99/147041999.db2.gz LMCUONMWJXKLFK-CYBMUJFWSA-N 1 1 323.393 2.587 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000603404433 543472282 /nfs/dbraw/zinc/47/22/82/543472282.db2.gz ZDMNVHLBFDRNQN-CQSZACIVSA-N 1 1 319.405 2.593 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000357713118 148092346 /nfs/dbraw/zinc/09/23/46/148092346.db2.gz CVNNPWRDYVJXEB-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000357713118 148092347 /nfs/dbraw/zinc/09/23/47/148092347.db2.gz CVNNPWRDYVJXEB-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000358170652 148270081 /nfs/dbraw/zinc/27/00/81/148270081.db2.gz FDNCIJHNOLFASB-GOEBONIOSA-N 1 1 305.422 2.990 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000358311075 148325633 /nfs/dbraw/zinc/32/56/33/148325633.db2.gz KFPHGTZTDPQPLR-CQSZACIVSA-N 1 1 320.393 2.899 20 5 DFBDMO Cc1ccc(NC(=O)NCC[N@@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000358448990 148363102 /nfs/dbraw/zinc/36/31/02/148363102.db2.gz BRXUQHGVLWCMRH-UHFFFAOYSA-N 1 1 318.377 2.677 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+]CCCCF)c1ccc([N+](=O)[O-])cc1 ZINC000360999218 149004137 /nfs/dbraw/zinc/00/41/37/149004137.db2.gz SJLBEBPYUFBSRA-CQSZACIVSA-N 1 1 306.341 2.757 20 5 DFBDMO Cn1c2ccc(Nc3ccncc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000361046064 149016572 /nfs/dbraw/zinc/01/65/72/149016572.db2.gz ZNOKBUQJWHXWOT-UHFFFAOYSA-N 1 1 309.329 2.919 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CCCCC[C@H]32)c1 ZINC000361343157 149090280 /nfs/dbraw/zinc/09/02/80/149090280.db2.gz VBSLSAWTSZFYAP-YSVLISHTSA-N 1 1 320.389 2.599 20 5 DFBDMO CCOc1cc(C[N@@H+](CC2CCC2)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000361500188 149131520 /nfs/dbraw/zinc/13/15/20/149131520.db2.gz BBXYLUNOAWUWHN-CYBMUJFWSA-N 1 1 322.405 2.976 20 5 DFBDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000361554038 149147669 /nfs/dbraw/zinc/14/76/69/149147669.db2.gz RFEWNOAELXQGKZ-AWEZNQCLSA-N 1 1 319.405 2.952 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361856260 149238222 /nfs/dbraw/zinc/23/82/22/149238222.db2.gz WPHMXVWKUWDNEX-STQMWFEESA-N 1 1 320.393 2.816 20 5 DFBDMO COc1cc(NCCNc2cccc(C)[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000351455061 286127449 /nfs/dbraw/zinc/12/74/49/286127449.db2.gz UAZYRFJCSJEDSM-UHFFFAOYSA-N 1 1 320.324 2.970 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000351508561 286139040 /nfs/dbraw/zinc/13/90/40/286139040.db2.gz ITFJQCVGAJSARA-WDEREUQCSA-N 1 1 311.357 2.661 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000351508559 286139097 /nfs/dbraw/zinc/13/90/97/286139097.db2.gz ITFJQCVGAJSARA-MNOVXSKESA-N 1 1 311.357 2.661 20 5 DFBDMO Cc1[nH+]c(CNc2nc(C)ccc2[N+](=O)[O-])c2n1CCCC2 ZINC000371309183 150020873 /nfs/dbraw/zinc/02/08/73/150020873.db2.gz ACGAHEQUYLLFTK-UHFFFAOYSA-N 1 1 301.350 2.752 20 5 DFBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000372764867 150182438 /nfs/dbraw/zinc/18/24/38/150182438.db2.gz ZJXZBEIPDVGWLL-LLVKDONJSA-N 1 1 323.418 2.745 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000372933568 150204223 /nfs/dbraw/zinc/20/42/23/150204223.db2.gz ZYULMRRHQHKTKK-JKSUJKDBSA-N 1 1 317.389 2.602 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000372977087 150211187 /nfs/dbraw/zinc/21/11/87/150211187.db2.gz IXYXFGAXZOPWQQ-ZBFHGGJFSA-N 1 1 320.389 2.994 20 5 DFBDMO CN(C[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000373046025 150221131 /nfs/dbraw/zinc/22/11/31/150221131.db2.gz LSMBJGBVTROLHO-NSHDSACASA-N 1 1 304.325 2.629 20 5 DFBDMO COc1cc(C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351632283 286176094 /nfs/dbraw/zinc/17/60/94/286176094.db2.gz WZIRLXULXBGZMV-TZMCWYRMSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351755220 286210818 /nfs/dbraw/zinc/21/08/18/286210818.db2.gz HNHXYKKQOSEXOH-UWVGGRQHSA-N 1 1 300.305 2.608 20 5 DFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351755220 286210819 /nfs/dbraw/zinc/21/08/19/286210819.db2.gz HNHXYKKQOSEXOH-UWVGGRQHSA-N 1 1 300.305 2.608 20 5 DFBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@@H]1CCCO1 ZINC000351958042 286255520 /nfs/dbraw/zinc/25/55/20/286255520.db2.gz LYXFVSPNHAXUIK-JKSUJKDBSA-N 1 1 320.389 2.863 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000352378754 286358326 /nfs/dbraw/zinc/35/83/26/286358326.db2.gz QBCYNOIJXMLFLT-UHFFFAOYSA-N 1 1 318.377 2.538 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000352452771 286377996 /nfs/dbraw/zinc/37/79/96/286377996.db2.gz BFCCHSGZUBGDCR-ZDUSSCGKSA-N 1 1 319.405 2.884 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280251251 292296406 /nfs/dbraw/zinc/29/64/06/292296406.db2.gz BZBSUOVWISBJFP-VBQJREDUSA-N 1 1 320.389 2.844 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280251251 292296408 /nfs/dbraw/zinc/29/64/08/292296408.db2.gz BZBSUOVWISBJFP-VBQJREDUSA-N 1 1 320.389 2.844 20 5 DFBDMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000184475618 158032412 /nfs/dbraw/zinc/03/24/12/158032412.db2.gz MULJCIQCYBPFMQ-ZDUSSCGKSA-N 1 1 320.393 2.817 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246366768 158088649 /nfs/dbraw/zinc/08/86/49/158088649.db2.gz YCDXUYRBGWRNTK-OAGGEKHMSA-N 1 1 322.430 2.988 20 5 DFBDMO CC(C)C[N@@H+]1CCO[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000248408894 158174061 /nfs/dbraw/zinc/17/40/61/158174061.db2.gz FNOQKOYJBWRQAZ-PBHICJAKSA-N 1 1 321.421 2.602 20 5 DFBDMO CC(C)C[N@H+]1CCO[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000248408894 158174063 /nfs/dbraw/zinc/17/40/63/158174063.db2.gz FNOQKOYJBWRQAZ-PBHICJAKSA-N 1 1 321.421 2.602 20 5 DFBDMO C[C@H](c1ccco1)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248446802 158177352 /nfs/dbraw/zinc/17/73/52/158177352.db2.gz GZVHQFIRANHBRG-CHWSQXEVSA-N 1 1 320.345 2.621 20 5 DFBDMO COC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000265830611 158207890 /nfs/dbraw/zinc/20/78/90/158207890.db2.gz UIPULGYGBUOFAK-CYBMUJFWSA-N 1 1 308.378 2.850 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000355128017 158279691 /nfs/dbraw/zinc/27/96/91/158279691.db2.gz HCYOOMXNZPDRRR-UONOGXRCSA-N 1 1 306.362 2.604 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000357058824 158357992 /nfs/dbraw/zinc/35/79/92/158357992.db2.gz WMAZWOMKRPVVJS-CYBMUJFWSA-N 1 1 307.369 2.555 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1sccc1C ZINC000430211673 296777791 /nfs/dbraw/zinc/77/77/91/296777791.db2.gz JTEYQSFFICRVFS-ZDUSSCGKSA-N 1 1 322.386 2.797 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000430209758 296777494 /nfs/dbraw/zinc/77/74/94/296777494.db2.gz YUSFBMVKEDKIAA-JTQLQIEISA-N 1 1 305.309 2.988 20 5 DFBDMO C[NH2+]CC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000430934888 296813181 /nfs/dbraw/zinc/81/31/81/296813181.db2.gz RDMVUOMAOHJOMC-UHFFFAOYSA-N 1 1 321.421 2.813 20 5 DFBDMO C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271726126 287015299 /nfs/dbraw/zinc/01/52/99/287015299.db2.gz MDEVBGRJFCBJNA-CYBMUJFWSA-N 1 1 305.378 2.504 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432330967 296872116 /nfs/dbraw/zinc/87/21/16/296872116.db2.gz HQRVPNGFZCQANE-LBPRGKRZSA-N 1 1 323.356 2.870 20 5 DFBDMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130822998 196113264 /nfs/dbraw/zinc/11/32/64/196113264.db2.gz JUVLHKOLJZCCEL-QGZVFWFLSA-N 1 1 322.405 2.593 20 5 DFBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c(Br)c1 ZINC000054128588 425889499 /nfs/dbraw/zinc/88/94/99/425889499.db2.gz NGKXZPAWRVNADS-UHFFFAOYSA-N 1 1 314.183 2.865 20 5 DFBDMO CC[N@@H+](C[C@H](C)OC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000291327749 222317154 /nfs/dbraw/zinc/31/71/54/222317154.db2.gz VJGBOQZDDXKRRN-AAEUAGOBSA-N 1 1 323.393 2.587 20 5 DFBDMO Cc1nn(C)c(N[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301211178 229564090 /nfs/dbraw/zinc/56/40/90/229564090.db2.gz VEMCJZPJAGQMFG-CYBMUJFWSA-N 1 1 321.425 2.846 20 5 DFBDMO Cc1ccnc(NCC[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000301278018 229603014 /nfs/dbraw/zinc/60/30/14/229603014.db2.gz JIGPUZOYOYKIDE-UHFFFAOYSA-N 1 1 312.373 2.768 20 5 DFBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](C3CCCCC3)C2)nc1 ZINC000302106921 230096072 /nfs/dbraw/zinc/09/60/72/230096072.db2.gz AESSIERTUUNDSD-GFCCVEGCSA-N 1 1 305.382 2.594 20 5 DFBDMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000066407292 425904343 /nfs/dbraw/zinc/90/43/43/425904343.db2.gz COTXDLMIEYOPBY-JSGCOSHPSA-N 1 1 306.362 2.931 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000026227529 425810444 /nfs/dbraw/zinc/81/04/44/425810444.db2.gz BIKGKLKSDUIAHV-UHFFFAOYSA-N 1 1 317.345 2.957 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046988457 425867513 /nfs/dbraw/zinc/86/75/13/425867513.db2.gz AGEZCJVCXOYFPK-GFCCVEGCSA-N 1 1 309.366 2.572 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000194714998 268113409 /nfs/dbraw/zinc/11/34/09/268113409.db2.gz TVZOHTMYWZQBIC-NEPJUHHUSA-N 1 1 314.345 2.668 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195507017 268135915 /nfs/dbraw/zinc/13/59/15/268135915.db2.gz BMPVSTSBXZCGEM-UHFFFAOYSA-N 1 1 316.361 2.576 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000245454757 268164320 /nfs/dbraw/zinc/16/43/20/268164320.db2.gz SERXLNWZNRTMSB-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000245455932 268164371 /nfs/dbraw/zinc/16/43/71/268164371.db2.gz STWOHZFODOIAMV-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000248368167 268165935 /nfs/dbraw/zinc/16/59/35/268165935.db2.gz UWDFGOFJVCOZNV-MNOVXSKESA-N 1 1 302.334 2.875 20 5 DFBDMO C[C@H](O)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269670622 268190164 /nfs/dbraw/zinc/19/01/64/268190164.db2.gz UOTYYCURXSAAIR-SUMWQHHRSA-N 1 1 322.405 2.644 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1O ZINC000270861849 268227648 /nfs/dbraw/zinc/22/76/48/268227648.db2.gz IFURDXLXIJWDGS-IUODEOHRSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273359955 268254754 /nfs/dbraw/zinc/25/47/54/268254754.db2.gz DYXYWSVGKBTKRG-YGRLFVJLSA-N 1 1 324.356 2.584 20 5 DFBDMO COc1ccc(C[NH2+]Cc2ccc(C)c(C)n2)cc1[N+](=O)[O-] ZINC000313824974 268340798 /nfs/dbraw/zinc/34/07/98/268340798.db2.gz LWPOAFVGWZLNRH-UHFFFAOYSA-N 1 1 301.346 2.905 20 5 DFBDMO CCc1nn(C)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000125627679 425982222 /nfs/dbraw/zinc/98/22/22/425982222.db2.gz NECXQDBNIQQYRX-UHFFFAOYSA-N 1 1 308.769 2.834 20 5 DFBDMO CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000125774047 425990777 /nfs/dbraw/zinc/99/07/77/425990777.db2.gz YRMQWXGTCQHQDA-LLVKDONJSA-N 1 1 302.334 2.877 20 5 DFBDMO CN(C)c1[nH+]cc(CNc2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000070143179 425967910 /nfs/dbraw/zinc/96/79/10/425967910.db2.gz PSBMDFGNLFEUHN-UHFFFAOYSA-N 1 1 309.757 2.660 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000161886119 426043335 /nfs/dbraw/zinc/04/33/35/426043335.db2.gz DXPQBIYYRCUAKK-AWEZNQCLSA-N 1 1 319.405 2.611 20 5 DFBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000161981071 426048183 /nfs/dbraw/zinc/04/81/83/426048183.db2.gz IJKLBOLDUIUHGV-AWEZNQCLSA-N 1 1 319.405 2.611 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162671052 426072335 /nfs/dbraw/zinc/07/23/35/426072335.db2.gz ZQVPIQHOUKZWQS-AWEZNQCLSA-N 1 1 320.393 2.851 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](CO)C3)o2)cc1 ZINC000127218878 426056495 /nfs/dbraw/zinc/05/64/95/426056495.db2.gz WWOHYYVOYVDCDO-GFCCVEGCSA-N 1 1 302.330 2.669 20 5 DFBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000127308339 426060147 /nfs/dbraw/zinc/06/01/47/426060147.db2.gz LOIOEGOXVYSCFD-QWHCGFSZSA-N 1 1 305.378 2.901 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000112702599 426089288 /nfs/dbraw/zinc/08/92/88/426089288.db2.gz WVJLYHFNTPYMLN-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000112702599 426089289 /nfs/dbraw/zinc/08/92/89/426089289.db2.gz WVJLYHFNTPYMLN-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000076342487 426108232 /nfs/dbraw/zinc/10/82/32/426108232.db2.gz OIUKREWWDVOUES-UHFFFAOYSA-N 1 1 319.386 2.696 20 5 DFBDMO Cc1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000076342487 426108235 /nfs/dbraw/zinc/10/82/35/426108235.db2.gz OIUKREWWDVOUES-UHFFFAOYSA-N 1 1 319.386 2.696 20 5 DFBDMO COCCC[N@@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000166771855 426128959 /nfs/dbraw/zinc/12/89/59/426128959.db2.gz WPTTWKVWQXZWAX-AWEZNQCLSA-N 1 1 309.410 2.522 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000127591581 426075608 /nfs/dbraw/zinc/07/56/08/426075608.db2.gz ZIBFPSLEQVBIOX-NSHDSACASA-N 1 1 311.357 2.663 20 5 DFBDMO CC(C)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000075611201 426078450 /nfs/dbraw/zinc/07/84/50/426078450.db2.gz FKMHUPILDDHGFC-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000075676802 426079449 /nfs/dbraw/zinc/07/94/49/426079449.db2.gz YXJLVNVEIHRDKT-UHFFFAOYSA-N 1 1 301.774 2.628 20 5 DFBDMO CO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000170917298 426159114 /nfs/dbraw/zinc/15/91/14/426159114.db2.gz JIDHWDRIBGFNCK-OAHLLOKOSA-N 1 1 308.378 2.993 20 5 DFBDMO CO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000170917298 426159118 /nfs/dbraw/zinc/15/91/18/426159118.db2.gz JIDHWDRIBGFNCK-OAHLLOKOSA-N 1 1 308.378 2.993 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650962 426179886 /nfs/dbraw/zinc/17/98/86/426179886.db2.gz QTLSGOKLPARVNT-SNVBAGLBSA-N 1 1 313.785 2.708 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572615 426224255 /nfs/dbraw/zinc/22/42/55/426224255.db2.gz BLJOLDJRGNQZAH-INIZCTEOSA-N 1 1 305.422 2.801 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000173815469 426249229 /nfs/dbraw/zinc/24/92/29/426249229.db2.gz RGAKSVCEPZHFSL-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+](C)CCC2CC2)cccc1[N+](=O)[O-] ZINC000135255255 426211199 /nfs/dbraw/zinc/21/11/99/426211199.db2.gz DKEMPNFQHIHTSO-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000135288225 426212317 /nfs/dbraw/zinc/21/23/17/426212317.db2.gz ZWJMVRLZXPQKPY-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC1CC1 ZINC000135303658 426213289 /nfs/dbraw/zinc/21/32/89/426213289.db2.gz ACUVEBGGAORMOK-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000175258785 426292836 /nfs/dbraw/zinc/29/28/36/426292836.db2.gz NGURTVPDHFNKMK-AWEZNQCLSA-N 1 1 321.421 2.767 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000175362179 426299889 /nfs/dbraw/zinc/29/98/89/426299889.db2.gz KHEMDMYWRNNGOT-HNNXBMFYSA-N 1 1 307.394 2.520 20 5 DFBDMO CC(C)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](C)O ZINC000089896661 426316161 /nfs/dbraw/zinc/31/61/61/426316161.db2.gz OENHRXYFSOLOOU-GFCCVEGCSA-N 1 1 319.361 2.841 20 5 DFBDMO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000089211533 426282556 /nfs/dbraw/zinc/28/25/56/426282556.db2.gz UCSMXJMAYRESOA-NSHDSACASA-N 1 1 318.377 2.750 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000176199261 426359985 /nfs/dbraw/zinc/35/99/85/426359985.db2.gz LQAPPAKMTXYJEA-UHFFFAOYSA-N 1 1 316.336 2.720 20 5 DFBDMO CCC(CC)[N@@H+](CCOC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153966057 426415686 /nfs/dbraw/zinc/41/56/86/426415686.db2.gz DHWILWMLMQWXQJ-INIZCTEOSA-N 1 1 310.394 2.765 20 5 DFBDMO O=[N+]([O-])c1cccc(N2CCN(c3cc[nH+]cc3Cl)CC2)c1 ZINC000176804510 426415846 /nfs/dbraw/zinc/41/58/46/426415846.db2.gz LRYLDYIWLKQMOW-UHFFFAOYSA-N 1 1 318.764 2.970 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000340373993 268972922 /nfs/dbraw/zinc/97/29/22/268972922.db2.gz BGVPSUYGSXHLGA-ZDUSSCGKSA-N 1 1 320.393 2.770 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000176986786 426430795 /nfs/dbraw/zinc/43/07/95/426430795.db2.gz NNSDCERJZIBOOH-YCABEKBOSA-N 1 1 317.389 2.551 20 5 DFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCOC1 ZINC000177063994 426440960 /nfs/dbraw/zinc/44/09/60/426440960.db2.gz FDARTYQZYAFOJQ-NSHDSACASA-N 1 1 305.334 2.594 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177084277 426442523 /nfs/dbraw/zinc/44/25/23/426442523.db2.gz RSMXOQCOUYPMIS-GXTWGEPZSA-N 1 1 318.377 2.604 20 5 DFBDMO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000340896315 269028561 /nfs/dbraw/zinc/02/85/61/269028561.db2.gz IWEDRDOQFWFHIM-QWHCGFSZSA-N 1 1 307.394 2.796 20 5 DFBDMO Cc1cc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341059789 269036541 /nfs/dbraw/zinc/03/65/41/269036541.db2.gz MLDIQMIMQOFFIU-OKILXGFUSA-N 1 1 319.405 2.896 20 5 DFBDMO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123700357 426448409 /nfs/dbraw/zinc/44/84/09/426448409.db2.gz DHDQZZFLJMATSP-UKQHYNNHSA-N 1 1 317.389 2.549 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000097257784 426462013 /nfs/dbraw/zinc/46/20/13/426462013.db2.gz HYFPKQLIYRYAHC-ZDUSSCGKSA-N 1 1 320.393 2.757 20 5 DFBDMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000098144827 426480364 /nfs/dbraw/zinc/48/03/64/426480364.db2.gz MZTWKTMRHSWSDO-MRXNPFEDSA-N 1 1 310.394 2.591 20 5 DFBDMO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000264375795 426544647 /nfs/dbraw/zinc/54/46/47/426544647.db2.gz KGOGFPBTTNEMGY-CQSZACIVSA-N 1 1 319.405 2.722 20 5 DFBDMO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000264375795 426544651 /nfs/dbraw/zinc/54/46/51/426544651.db2.gz KGOGFPBTTNEMGY-CQSZACIVSA-N 1 1 319.405 2.722 20 5 DFBDMO C[C@H]1CCSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194887686 426495082 /nfs/dbraw/zinc/49/50/82/426495082.db2.gz BFRFQFAJRXXFEW-JTQLQIEISA-N 1 1 311.363 2.830 20 5 DFBDMO C[C@H]1CCSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194887686 426495085 /nfs/dbraw/zinc/49/50/85/426495085.db2.gz BFRFQFAJRXXFEW-JTQLQIEISA-N 1 1 311.363 2.830 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280399298 426566283 /nfs/dbraw/zinc/56/62/83/426566283.db2.gz KSECBUFZQYDTDD-IOASZLSFSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280399298 426566286 /nfs/dbraw/zinc/56/62/86/426566286.db2.gz KSECBUFZQYDTDD-IOASZLSFSA-N 1 1 306.362 2.536 20 5 DFBDMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273112717 426595562 /nfs/dbraw/zinc/59/55/62/426595562.db2.gz GNNRJFGUIVGIKP-MJBXVCDLSA-N 1 1 308.378 2.597 20 5 DFBDMO C[C@@H](O)c1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000289221269 426609548 /nfs/dbraw/zinc/60/95/48/426609548.db2.gz JHSNCSGIXKBOMV-VHSXEESVSA-N 1 1 307.375 2.955 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000272562080 426557561 /nfs/dbraw/zinc/55/75/61/426557561.db2.gz LWKQEKPYFWSOMT-STQMWFEESA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)(C)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273299897 426637083 /nfs/dbraw/zinc/63/70/83/426637083.db2.gz GXSAVUGQIKFPLH-XJKSGUPXSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1ccc(C[N@H+](CCCO)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000289383805 426644215 /nfs/dbraw/zinc/64/42/15/426644215.db2.gz CVRSQFRUMDVIPX-UHFFFAOYSA-N 1 1 315.373 2.683 20 5 DFBDMO Cc1ccc(C[N@@H+](CCCO)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000289383805 426644220 /nfs/dbraw/zinc/64/42/20/426644220.db2.gz CVRSQFRUMDVIPX-UHFFFAOYSA-N 1 1 315.373 2.683 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000280842693 426666671 /nfs/dbraw/zinc/66/66/71/426666671.db2.gz XLWVKXKFWOGFRD-CYBMUJFWSA-N 1 1 305.382 2.594 20 5 DFBDMO CCn1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000178729758 426683871 /nfs/dbraw/zinc/68/38/71/426683871.db2.gz MJTMFBVEKWDASM-NSHDSACASA-N 1 1 304.350 2.671 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000227685968 426628128 /nfs/dbraw/zinc/62/81/28/426628128.db2.gz YCAOXSKSYPQXFY-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000227685968 426628133 /nfs/dbraw/zinc/62/81/33/426628133.db2.gz YCAOXSKSYPQXFY-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000178864395 426710687 /nfs/dbraw/zinc/71/06/87/426710687.db2.gz DEVKBUCAVXNTDZ-INIZCTEOSA-N 1 1 320.389 2.663 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000178864395 426710691 /nfs/dbraw/zinc/71/06/91/426710691.db2.gz DEVKBUCAVXNTDZ-INIZCTEOSA-N 1 1 320.389 2.663 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188027442 426715531 /nfs/dbraw/zinc/71/55/31/426715531.db2.gz DZWUXBRPCSRZKT-NSHDSACASA-N 1 1 323.418 2.531 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000290443046 426766704 /nfs/dbraw/zinc/76/67/04/426766704.db2.gz HZXMSJBGMDQEHF-HNNXBMFYSA-N 1 1 310.325 2.713 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281625157 426733028 /nfs/dbraw/zinc/73/30/28/426733028.db2.gz HTKDJJYSWYDUJF-GXTWGEPZSA-N 1 1 308.378 2.993 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000245438570 426739626 /nfs/dbraw/zinc/73/96/26/426739626.db2.gz SEWLYBLVTLDALS-ZBFHGGJFSA-N 1 1 319.405 2.532 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245514450 426747270 /nfs/dbraw/zinc/74/72/70/426747270.db2.gz BWVAXMRMIXGHSB-GWCFXTLKSA-N 1 1 318.295 2.963 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245514450 426747273 /nfs/dbraw/zinc/74/72/73/426747273.db2.gz BWVAXMRMIXGHSB-GWCFXTLKSA-N 1 1 318.295 2.963 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000179103913 426752028 /nfs/dbraw/zinc/75/20/28/426752028.db2.gz LGUAOJUCLNLGFX-TZMCWYRMSA-N 1 1 308.378 2.729 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000267023245 426811307 /nfs/dbraw/zinc/81/13/07/426811307.db2.gz KPRHVKCGYAGANB-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000246506068 426841171 /nfs/dbraw/zinc/84/11/71/426841171.db2.gz BMISHEPNXPKCRO-KBPBESRZSA-N 1 1 319.405 2.926 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(CF)CC3)n2)cc1 ZINC000295182147 426854508 /nfs/dbraw/zinc/85/45/08/426854508.db2.gz RWMTYWQODVBFAW-UHFFFAOYSA-N 1 1 320.324 2.826 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000275797483 426921707 /nfs/dbraw/zinc/92/17/07/426921707.db2.gz SMKJQZBTOKZBJS-GFCCVEGCSA-N 1 1 318.377 2.675 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2COC)C1 ZINC000267285596 426864357 /nfs/dbraw/zinc/86/43/57/426864357.db2.gz WKISJEVGYILRIO-ZDUSSCGKSA-N 1 1 307.394 2.519 20 5 DFBDMO C[C@@H]1Cc2[nH+]cn(C[C@@H](O)c3cccc([N+](=O)[O-])c3)c2C[C@H]1C ZINC000295219674 426865753 /nfs/dbraw/zinc/86/57/53/426865753.db2.gz VPGDCCCDNLOEFW-PSTGCABASA-N 1 1 315.373 2.896 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246922024 426879621 /nfs/dbraw/zinc/87/96/21/426879621.db2.gz HZVKJCZOUKDXDV-RISCZKNCSA-N 1 1 309.797 2.917 20 5 DFBDMO COc1ccc(C[NH2+][C@H](C)c2ccncc2OC)cc1[N+](=O)[O-] ZINC000189569669 426892486 /nfs/dbraw/zinc/89/24/86/426892486.db2.gz GGAVJHDSCRIDEX-LLVKDONJSA-N 1 1 317.345 2.858 20 5 DFBDMO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282415202 426907246 /nfs/dbraw/zinc/90/72/46/426907246.db2.gz IVXCKOMCAJPJLS-UONOGXRCSA-N 1 1 321.421 2.762 20 5 DFBDMO C[N@@H+](CCO[C@H]1CCCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000282422075 426908738 /nfs/dbraw/zinc/90/87/38/426908738.db2.gz JLKHWNFGKDLCNQ-INIZCTEOSA-N 1 1 308.378 2.612 20 5 DFBDMO CC(C)c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000189796499 426953289 /nfs/dbraw/zinc/95/32/89/426953289.db2.gz CLUJYFSCHNRSAG-ZDUSSCGKSA-N 1 1 305.378 2.542 20 5 DFBDMO CC(=O)c1ccc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268189674 426942692 /nfs/dbraw/zinc/94/26/92/426942692.db2.gz DUBOZKYPHHKXFI-XHDPSFHLSA-N 1 1 305.378 2.938 20 5 DFBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248873008 427056312 /nfs/dbraw/zinc/05/63/12/427056312.db2.gz VHKAYGSPVPJZIL-KBMXLJTQSA-N 1 1 318.373 2.677 20 5 DFBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248873008 427056315 /nfs/dbraw/zinc/05/63/15/427056315.db2.gz VHKAYGSPVPJZIL-KBMXLJTQSA-N 1 1 318.373 2.677 20 5 DFBDMO Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000248385980 426995864 /nfs/dbraw/zinc/99/58/64/426995864.db2.gz KQTZXEDAYBNCHL-AWEZNQCLSA-N 1 1 312.373 2.736 20 5 DFBDMO Cc1cc(N2CC[N@H+]3CCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000248385980 426995870 /nfs/dbraw/zinc/99/58/70/426995870.db2.gz KQTZXEDAYBNCHL-AWEZNQCLSA-N 1 1 312.373 2.736 20 5 DFBDMO Cc1ccsc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000295930915 427020340 /nfs/dbraw/zinc/02/03/40/427020340.db2.gz FWPPEXIFGBLGAP-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182172766 427020772 /nfs/dbraw/zinc/02/07/72/427020772.db2.gz YXJODQWBSUPICY-BXUZGUMPSA-N 1 1 309.797 2.917 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000291938845 427032465 /nfs/dbraw/zinc/03/24/65/427032465.db2.gz MQUGQAFWVAVFDD-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO CCOc1cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000291942349 427035141 /nfs/dbraw/zinc/03/51/41/427035141.db2.gz UCTBIPXLBNBXFK-CQSZACIVSA-N 1 1 308.378 2.993 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CO)c1ccccc1 ZINC000283639353 427048931 /nfs/dbraw/zinc/04/89/31/427048931.db2.gz SOCPHKDKKZGCNM-MRXNPFEDSA-N 1 1 304.321 2.899 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](CO)c1ccccc1 ZINC000283639353 427048936 /nfs/dbraw/zinc/04/89/36/427048936.db2.gz SOCPHKDKKZGCNM-MRXNPFEDSA-N 1 1 304.321 2.899 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000276421181 427062774 /nfs/dbraw/zinc/06/27/74/427062774.db2.gz NXQLKUFRXZPVSG-UHFFFAOYSA-N 1 1 318.377 2.595 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249005114 427075733 /nfs/dbraw/zinc/07/57/33/427075733.db2.gz SXULAUKJIIZIOL-QWHCGFSZSA-N 1 1 320.393 2.850 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249046580 427080591 /nfs/dbraw/zinc/08/05/91/427080591.db2.gz HLMSFAJXPANGGH-FZMZJTMJSA-N 1 1 306.362 2.534 20 5 DFBDMO C[C@@H]1CSCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000190406923 427098242 /nfs/dbraw/zinc/09/82/42/427098242.db2.gz TUMFDFJFWYUSHT-NSHDSACASA-N 1 1 324.402 2.646 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292173388 427118292 /nfs/dbraw/zinc/11/82/92/427118292.db2.gz PWVKZTCJGMFTBJ-HNNXBMFYSA-N 1 1 309.797 2.776 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000292190441 427124010 /nfs/dbraw/zinc/12/40/10/427124010.db2.gz YZMKXKUZLVCSHP-SNVBAGLBSA-N 1 1 313.785 2.707 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)C1 ZINC000292222430 427137187 /nfs/dbraw/zinc/13/71/87/427137187.db2.gz IGGSOLQMVGJJMS-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000292276775 427154595 /nfs/dbraw/zinc/15/45/95/427154595.db2.gz BMJFYUNQHPEADT-GFCCVEGCSA-N 1 1 323.418 2.608 20 5 DFBDMO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000292276775 427154600 /nfs/dbraw/zinc/15/46/00/427154600.db2.gz BMJFYUNQHPEADT-GFCCVEGCSA-N 1 1 323.418 2.608 20 5 DFBDMO CCc1ccc(C(=O)NCC[N@H+](C)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000174171691 271130703 /nfs/dbraw/zinc/13/07/03/271130703.db2.gz ZGMNUPRQDSGTHO-LBPRGKRZSA-N 1 1 307.394 2.617 20 5 DFBDMO CC(C)C[C@@]1(C)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000296401003 427169192 /nfs/dbraw/zinc/16/91/92/427169192.db2.gz TYUCKOGKPUMLPI-MRXNPFEDSA-N 1 1 307.394 2.657 20 5 DFBDMO COC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000251981802 427170871 /nfs/dbraw/zinc/17/08/71/427170871.db2.gz VLWHEJFEFCGWSX-IPYPFGDCSA-N 1 1 308.378 2.700 20 5 DFBDMO COC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000251981802 427170875 /nfs/dbraw/zinc/17/08/75/427170875.db2.gz VLWHEJFEFCGWSX-IPYPFGDCSA-N 1 1 308.378 2.700 20 5 DFBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1F ZINC000284336297 427184616 /nfs/dbraw/zinc/18/46/16/427184616.db2.gz XDPLFSSFVQNVEQ-FZMZJTMJSA-N 1 1 323.368 2.501 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1[N+](=O)[O-] ZINC000183239891 427229013 /nfs/dbraw/zinc/22/90/13/427229013.db2.gz HHCATWKMYKHQSA-HNNXBMFYSA-N 1 1 320.389 2.878 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183266533 427234466 /nfs/dbraw/zinc/23/44/66/427234466.db2.gz BPKJRGCGSXJXMG-CQSZACIVSA-N 1 1 321.377 2.614 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183266533 427234474 /nfs/dbraw/zinc/23/44/74/427234474.db2.gz BPKJRGCGSXJXMG-CQSZACIVSA-N 1 1 321.377 2.614 20 5 DFBDMO Cc1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000183268375 427235840 /nfs/dbraw/zinc/23/58/40/427235840.db2.gz SJXICCMRSZNSOL-UHFFFAOYSA-N 1 1 320.389 2.532 20 5 DFBDMO Cc1c(C[NH2+][C@@H](c2nncn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000285472157 427244223 /nfs/dbraw/zinc/24/42/23/427244223.db2.gz VAOZJHFOECYGOK-CQSZACIVSA-N 1 1 303.366 2.519 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269686249 427250110 /nfs/dbraw/zinc/25/01/10/427250110.db2.gz ZXOKVEYLEJFDTL-HUUCEWRRSA-N 1 1 310.419 2.702 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330586084 427270437 /nfs/dbraw/zinc/27/04/37/427270437.db2.gz SKVGSIIOGZZSFL-QWHCGFSZSA-N 1 1 307.394 2.518 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000330589701 427270514 /nfs/dbraw/zinc/27/05/14/427270514.db2.gz POJKKHKPQGIEDW-GHMZBOCLSA-N 1 1 307.350 2.739 20 5 DFBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000296910197 427272767 /nfs/dbraw/zinc/27/27/67/427272767.db2.gz KXOGGSWTEZDGGF-JTQLQIEISA-N 1 1 311.407 2.521 20 5 DFBDMO CCc1ccc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000293298187 427276487 /nfs/dbraw/zinc/27/64/87/427276487.db2.gz KQEHHLSCNXRHKP-MRXNPFEDSA-N 1 1 314.389 2.843 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cc1ccccc1 ZINC000293365666 427299931 /nfs/dbraw/zinc/29/99/31/427299931.db2.gz ORIQQGKBPOEBHH-GOSISDBHSA-N 1 1 314.385 2.673 20 5 DFBDMO CCCC[N@H+](CCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285764698 427331869 /nfs/dbraw/zinc/33/18/69/427331869.db2.gz WFKRJJNDJPVCLJ-UHFFFAOYSA-N 1 1 302.321 2.858 20 5 DFBDMO CCCC[N@@H+](CCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285764698 427331875 /nfs/dbraw/zinc/33/18/75/427331875.db2.gz WFKRJJNDJPVCLJ-UHFFFAOYSA-N 1 1 302.321 2.858 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000331139760 427353747 /nfs/dbraw/zinc/35/37/47/427353747.db2.gz FCQYFXGRSQFPLW-IUODEOHRSA-N 1 1 308.378 2.586 20 5 DFBDMO CCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293648286 427392354 /nfs/dbraw/zinc/39/23/54/427392354.db2.gz XVTAQPYYURFJDX-UHFFFAOYSA-N 1 1 306.284 2.818 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000331306154 427396133 /nfs/dbraw/zinc/39/61/33/427396133.db2.gz ZHWLZOXTLUHSKZ-OUCADQQQSA-N 1 1 308.378 2.585 20 5 DFBDMO Cc1cc(NCC[N@@H+]2CC=CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000338714546 427449146 /nfs/dbraw/zinc/44/91/46/427449146.db2.gz ZBKCXXORKIIFMF-UHFFFAOYSA-N 1 1 312.373 2.547 20 5 DFBDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000278806806 427460241 /nfs/dbraw/zinc/46/02/41/427460241.db2.gz ZPCKKIZQPUKCKW-HOCLYGCPSA-N 1 1 314.389 2.978 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)C(C)C ZINC000297923608 427485501 /nfs/dbraw/zinc/48/55/01/427485501.db2.gz QQDYFQIGTGIHAD-GFCCVEGCSA-N 1 1 323.393 2.908 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191803280 427430608 /nfs/dbraw/zinc/43/06/08/427430608.db2.gz HLMSFAJXPANGGH-BXUZGUMPSA-N 1 1 306.362 2.534 20 5 DFBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@H+]3CCCC[C@H]23)s1 ZINC000286343390 427499366 /nfs/dbraw/zinc/49/93/66/427499366.db2.gz KKHWUOSRPDYINF-GHMZBOCLSA-N 1 1 319.390 2.638 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCS1 ZINC000192192466 427502387 /nfs/dbraw/zinc/50/23/87/427502387.db2.gz MQXIBJIOBYRFQV-LLVKDONJSA-N 1 1 324.402 2.789 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287177812 427554706 /nfs/dbraw/zinc/55/47/06/427554706.db2.gz CHUTXIOMTWPBJM-ZIAGYGMSSA-N 1 1 317.389 2.600 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000332162285 427528634 /nfs/dbraw/zinc/52/86/34/427528634.db2.gz QFWCPQXFNWVABR-HZPDHXFCSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000332162285 427528640 /nfs/dbraw/zinc/52/86/40/427528640.db2.gz QFWCPQXFNWVABR-HZPDHXFCSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CC1CCCC1)CC2 ZINC000332172252 427532549 /nfs/dbraw/zinc/53/25/49/427532549.db2.gz SKCIIEALGQCODK-QGZVFWFLSA-N 1 1 304.390 2.894 20 5 DFBDMO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C[N@@H+]1C ZINC000332236602 427555956 /nfs/dbraw/zinc/55/59/56/427555956.db2.gz QFAAMSUIUGFYLO-MNOVXSKESA-N 1 1 317.345 2.506 20 5 DFBDMO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C[N@H+]1C ZINC000332236602 427555961 /nfs/dbraw/zinc/55/59/61/427555961.db2.gz QFAAMSUIUGFYLO-MNOVXSKESA-N 1 1 317.345 2.506 20 5 DFBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192459386 427544962 /nfs/dbraw/zinc/54/49/62/427544962.db2.gz WJNFHQINHGREPR-LBPRGKRZSA-N 1 1 318.402 2.762 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192459386 427544971 /nfs/dbraw/zinc/54/49/71/427544971.db2.gz WJNFHQINHGREPR-LBPRGKRZSA-N 1 1 318.402 2.762 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000271671953 427581483 /nfs/dbraw/zinc/58/14/83/427581483.db2.gz BDFXQACCZSVBQS-KCQAQPDRSA-N 1 1 319.405 2.940 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1CC(C)C ZINC000192714886 427592346 /nfs/dbraw/zinc/59/23/46/427592346.db2.gz OWMGSJLRZGNIFR-CYBMUJFWSA-N 1 1 309.414 2.652 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000264005127 427632309 /nfs/dbraw/zinc/63/23/09/427632309.db2.gz HCIBPLJPXCOHOA-KRWDZBQOSA-N 1 1 316.357 2.639 20 5 DFBDMO CO[C@@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000279309107 427634628 /nfs/dbraw/zinc/63/46/28/427634628.db2.gz MZNSCLSBWMWSHW-HNNXBMFYSA-N 1 1 305.334 2.737 20 5 DFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000279309107 427634632 /nfs/dbraw/zinc/63/46/32/427634632.db2.gz MZNSCLSBWMWSHW-HNNXBMFYSA-N 1 1 305.334 2.737 20 5 DFBDMO C[C@H](O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373253 427641295 /nfs/dbraw/zinc/64/12/95/427641295.db2.gz BCJJYNLCAPOMAJ-UWVGGRQHSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373253 427641300 /nfs/dbraw/zinc/64/13/00/427641300.db2.gz BCJJYNLCAPOMAJ-UWVGGRQHSA-N 1 1 318.295 2.816 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185497129 427663628 /nfs/dbraw/zinc/66/36/28/427663628.db2.gz YXQGYUCGNMZXLY-CYBMUJFWSA-N 1 1 307.394 2.772 20 5 DFBDMO COc1ccc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000342718128 272046038 /nfs/dbraw/zinc/04/60/38/272046038.db2.gz BWSYXLFMACUVKN-CQSZACIVSA-N 1 1 307.394 2.518 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000343321521 272118914 /nfs/dbraw/zinc/11/89/14/272118914.db2.gz LEGCDJVQDBTACS-KGLIPLIRSA-N 1 1 319.405 2.896 20 5 DFBDMO CCCN(CC[NH+](CC)CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339095953 427674449 /nfs/dbraw/zinc/67/44/49/427674449.db2.gz QTTULGMZVAGLNJ-UHFFFAOYSA-N 1 1 309.410 2.854 20 5 DFBDMO COC[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000343888962 272232451 /nfs/dbraw/zinc/23/24/51/272232451.db2.gz VQLNQHFMRKNPCX-HUUCEWRRSA-N 1 1 322.405 2.954 20 5 DFBDMO COC[C@@H]1C[C@H](OC)C[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000343892332 272232726 /nfs/dbraw/zinc/23/27/26/272232726.db2.gz YDXXXTAGQKLSGW-YTPRYADDSA-N 1 1 320.389 2.734 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](CO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000344123061 272268725 /nfs/dbraw/zinc/26/87/25/272268725.db2.gz GKWQRDRSCCWCBB-GXTWGEPZSA-N 1 1 308.378 2.586 20 5 DFBDMO C[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000344181798 272281626 /nfs/dbraw/zinc/28/16/26/272281626.db2.gz QCSIDYMAFMKTKO-UHFFFAOYSA-N 1 1 323.368 2.728 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344209927 272288075 /nfs/dbraw/zinc/28/80/75/272288075.db2.gz JZXYQFHMCWWZQQ-VXGBXAGGSA-N 1 1 323.368 2.584 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1CO ZINC000339121922 427684500 /nfs/dbraw/zinc/68/45/00/427684500.db2.gz AMVDLAIOAMRXHF-GXSJLCMTSA-N 1 1 318.295 2.674 20 5 DFBDMO Cc1cccc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344610851 272347943 /nfs/dbraw/zinc/34/79/43/272347943.db2.gz IBNSRFAWLTZDCX-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1ccc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344625150 272349243 /nfs/dbraw/zinc/34/92/43/272349243.db2.gz WQNKQWFRYKMJGN-OAHLLOKOSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1ccc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344625149 272349275 /nfs/dbraw/zinc/34/92/75/272349275.db2.gz WQNKQWFRYKMJGN-HNNXBMFYSA-N 1 1 319.405 2.753 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OC ZINC000295080903 427686185 /nfs/dbraw/zinc/68/61/85/427686185.db2.gz QIQJWZJGVIVDMI-NSHDSACASA-N 1 1 312.391 2.549 20 5 DFBDMO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000287794729 427693153 /nfs/dbraw/zinc/69/31/53/427693153.db2.gz OZXMQNCWAWCADG-UHFFFAOYSA-N 1 1 319.390 2.523 20 5 DFBDMO CC(=O)c1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000287849375 427702761 /nfs/dbraw/zinc/70/27/61/427702761.db2.gz LNTYSCHZKHNUKG-LBPRGKRZSA-N 1 1 314.345 2.905 20 5 DFBDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185793261 427707546 /nfs/dbraw/zinc/70/75/46/427707546.db2.gz FYLXKDSUOYVCOS-OAHLLOKOSA-N 1 1 300.362 2.628 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000279766889 427719090 /nfs/dbraw/zinc/71/90/90/427719090.db2.gz SHHJDTZAIZSWJY-CQSZACIVSA-N 1 1 321.421 2.698 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000193863614 427720809 /nfs/dbraw/zinc/72/08/09/427720809.db2.gz OLVSANGKIAAOFY-CYBMUJFWSA-N 1 1 316.361 2.576 20 5 DFBDMO CCN(CC[NH+]1CCCCCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339197969 427727001 /nfs/dbraw/zinc/72/70/01/427727001.db2.gz JWBQGSAAXGJUTI-UHFFFAOYSA-N 1 1 321.421 2.998 20 5 DFBDMO CCOc1cccc(NC[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000288064358 427733316 /nfs/dbraw/zinc/73/33/16/427733316.db2.gz ACIWMPWTCQPLFN-LBPRGKRZSA-N 1 1 316.361 2.865 20 5 DFBDMO Cc1c(C[N@@H+]2CCCNC(=O)[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000339273907 427747744 /nfs/dbraw/zinc/74/77/44/427747744.db2.gz GNZWDICEFSUNOQ-INIZCTEOSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1c(C[N@H+]2CCCNC(=O)[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000339273907 427747746 /nfs/dbraw/zinc/74/77/46/427747746.db2.gz GNZWDICEFSUNOQ-INIZCTEOSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336711041 427749352 /nfs/dbraw/zinc/74/93/52/427749352.db2.gz LELXOUAPVRAKSW-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DFBDMO COC(=O)c1cc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301606768 427809204 /nfs/dbraw/zinc/80/92/04/427809204.db2.gz NHNZQUGCLDDOCD-BXUZGUMPSA-N 1 1 321.377 2.522 20 5 DFBDMO C[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000301872747 427832066 /nfs/dbraw/zinc/83/20/66/427832066.db2.gz XIHPPIGPPBGIPY-UKRRQHHQSA-N 1 1 316.336 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000339815469 427833934 /nfs/dbraw/zinc/83/39/34/427833934.db2.gz AXBCVVRBQVDLEB-INIZCTEOSA-N 1 1 308.378 2.850 20 5 DFBDMO C[C@@H]1C[NH+](C(C)(C)CNc2sccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301919514 427842869 /nfs/dbraw/zinc/84/28/69/427842869.db2.gz CDERIOSLUCVBFB-GHMZBOCLSA-N 1 1 313.423 2.956 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000359437175 427852120 /nfs/dbraw/zinc/85/21/20/427852120.db2.gz JKZVANHPBLZCLV-VXGBXAGGSA-N 1 1 309.414 2.794 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000337338310 427853688 /nfs/dbraw/zinc/85/36/88/427853688.db2.gz NTDGQMBGSIQBCO-CQSZACIVSA-N 1 1 323.368 2.584 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349830021 427873052 /nfs/dbraw/zinc/87/30/52/427873052.db2.gz DRMDIPPXSRXXJP-WDEREUQCSA-N 1 1 318.333 2.651 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000355753098 427875239 /nfs/dbraw/zinc/87/52/39/427875239.db2.gz YPGHYXGTVSFPAH-QGZVFWFLSA-N 1 1 320.389 2.866 20 5 DFBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302855531 427877844 /nfs/dbraw/zinc/87/78/44/427877844.db2.gz LHQUCNXFOPSYRI-ZDUSSCGKSA-N 1 1 311.357 2.503 20 5 DFBDMO CC(C)OCC[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000349876063 427888159 /nfs/dbraw/zinc/88/81/59/427888159.db2.gz CPYSQUABWGWEFQ-QGZVFWFLSA-N 1 1 322.405 2.735 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341106300 427989404 /nfs/dbraw/zinc/98/94/04/427989404.db2.gz GREOVCSIQGJZNG-CYBMUJFWSA-N 1 1 322.409 2.687 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345875406 427936913 /nfs/dbraw/zinc/93/69/13/427936913.db2.gz BKQCMPRRYBHVKL-NEPJUHHUSA-N 1 1 306.366 2.541 20 5 DFBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1)C1CC1 ZINC000351142221 428021680 /nfs/dbraw/zinc/02/16/80/428021680.db2.gz DLBMFSCNRMBWQV-UHFFFAOYSA-N 1 1 302.334 2.938 20 5 DFBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1)C1CC1 ZINC000351142221 428021686 /nfs/dbraw/zinc/02/16/86/428021686.db2.gz DLBMFSCNRMBWQV-UHFFFAOYSA-N 1 1 302.334 2.938 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@]2(CCOC2)O1 ZINC000369707420 428041576 /nfs/dbraw/zinc/04/15/76/428041576.db2.gz SNSYUUTXRGQMLV-WBVHZDCISA-N 1 1 320.389 2.673 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@]2(CCOC2)O1 ZINC000369707420 428041583 /nfs/dbraw/zinc/04/15/83/428041583.db2.gz SNSYUUTXRGQMLV-WBVHZDCISA-N 1 1 320.389 2.673 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000413444012 428049706 /nfs/dbraw/zinc/04/97/06/428049706.db2.gz RWWQWOVPGHMIFI-LBPRGKRZSA-N 1 1 321.377 2.525 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000413444005 428050167 /nfs/dbraw/zinc/05/01/67/428050167.db2.gz RWWQWOVPGHMIFI-GFCCVEGCSA-N 1 1 321.377 2.525 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000341128737 427997289 /nfs/dbraw/zinc/99/72/89/427997289.db2.gz UZTXGBMZKMTWEM-SNVBAGLBSA-N 1 1 311.411 2.836 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c2cccnc21 ZINC000413247386 427999876 /nfs/dbraw/zinc/99/98/76/427999876.db2.gz IGQHEFYMHVJAHI-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCC[N@H+]1C ZINC000413240331 428001502 /nfs/dbraw/zinc/00/15/02/428001502.db2.gz JPAPIDQIMIKEMK-KWQFWETISA-N 1 1 318.299 2.903 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)C1 ZINC000413306477 428016857 /nfs/dbraw/zinc/01/68/57/428016857.db2.gz VSPAXCONKFDFKT-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377426556 428127876 /nfs/dbraw/zinc/12/78/76/428127876.db2.gz QABAJBUMLJOPSE-QWHCGFSZSA-N 1 1 318.377 2.652 20 5 DFBDMO COc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539656 428142352 /nfs/dbraw/zinc/14/23/52/428142352.db2.gz BNFBKRWEBUFGFW-GXTWGEPZSA-N 1 1 307.394 2.518 20 5 DFBDMO CCCCN(CC)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352538840 428142425 /nfs/dbraw/zinc/14/24/25/428142425.db2.gz PWPIPPNQZVTJRT-UHFFFAOYSA-N 1 1 321.421 2.718 20 5 DFBDMO CCCCN(CC)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352538840 428142429 /nfs/dbraw/zinc/14/24/29/428142429.db2.gz PWPIPPNQZVTJRT-UHFFFAOYSA-N 1 1 321.421 2.718 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352544427 428144676 /nfs/dbraw/zinc/14/46/76/428144676.db2.gz ALVMRMZRQGEFDQ-CQSZACIVSA-N 1 1 307.394 2.520 20 5 DFBDMO Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000360081572 428151454 /nfs/dbraw/zinc/15/14/54/428151454.db2.gz GMFGGMIRFWLCET-GXTWGEPZSA-N 1 1 307.369 2.963 20 5 DFBDMO Cc1cc(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)[nH]1 ZINC000352561826 428149211 /nfs/dbraw/zinc/14/92/11/428149211.db2.gz HUECNOFEDIDXQM-UHFFFAOYSA-N 1 1 315.373 2.897 20 5 DFBDMO Cc1cc(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)[nH]1 ZINC000352561826 428149217 /nfs/dbraw/zinc/14/92/17/428149217.db2.gz HUECNOFEDIDXQM-UHFFFAOYSA-N 1 1 315.373 2.897 20 5 DFBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)nc1-c1ccccc1 ZINC000360094557 428158881 /nfs/dbraw/zinc/15/88/81/428158881.db2.gz UZJGVHODAANFAV-UHFFFAOYSA-N 1 1 324.384 3.331 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCc1ccncc1)CCO2 ZINC000352621468 428173708 /nfs/dbraw/zinc/17/37/08/428173708.db2.gz PTGFKGOPAFXFDY-UHFFFAOYSA-N 1 1 313.357 2.817 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCc1ccncc1)CCO2 ZINC000352621468 428173711 /nfs/dbraw/zinc/17/37/11/428173711.db2.gz PTGFKGOPAFXFDY-UHFFFAOYSA-N 1 1 313.357 2.817 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC1CCCC1)CCO2 ZINC000352622225 428174508 /nfs/dbraw/zinc/17/45/08/428174508.db2.gz YYBTWLVBTWQOCM-INIZCTEOSA-N 1 1 320.389 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CC1CCCC1)CCO2 ZINC000352622225 428174511 /nfs/dbraw/zinc/17/45/11/428174511.db2.gz YYBTWLVBTWQOCM-INIZCTEOSA-N 1 1 320.389 2.730 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356741763 428290716 /nfs/dbraw/zinc/29/07/16/428290716.db2.gz MCAXJALECWKSAW-SNVBAGLBSA-N 1 1 313.785 2.707 20 5 DFBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000352881003 428291707 /nfs/dbraw/zinc/29/17/07/428291707.db2.gz YWRRPASJLZZLJG-HUUCEWRRSA-N 1 1 322.405 2.989 20 5 DFBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCCC1 ZINC000352886418 428295014 /nfs/dbraw/zinc/29/50/14/428295014.db2.gz GUPGFLJVJQDVHG-UHFFFAOYSA-N 1 1 305.422 2.945 20 5 DFBDMO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCCC1 ZINC000352886418 428295020 /nfs/dbraw/zinc/29/50/20/428295020.db2.gz GUPGFLJVJQDVHG-UHFFFAOYSA-N 1 1 305.422 2.945 20 5 DFBDMO COC(=O)[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C ZINC000346628074 428245805 /nfs/dbraw/zinc/24/58/05/428245805.db2.gz AIBZQCJEAUSTEN-ZJUUUORDSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C ZINC000346628074 428245814 /nfs/dbraw/zinc/24/58/14/428245814.db2.gz AIBZQCJEAUSTEN-ZJUUUORDSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000346628852 428247211 /nfs/dbraw/zinc/24/72/11/428247211.db2.gz ATZAPYKRAKXYHQ-BXKDBHETSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000346628852 428247214 /nfs/dbraw/zinc/24/72/14/428247214.db2.gz ATZAPYKRAKXYHQ-BXKDBHETSA-N 1 1 312.753 2.632 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCn2ccnc2C1 ZINC000377858897 428248004 /nfs/dbraw/zinc/24/80/04/428248004.db2.gz CWHDUAHWNHCKFD-AWEZNQCLSA-N 1 1 314.389 2.794 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000370855645 428309661 /nfs/dbraw/zinc/30/96/61/428309661.db2.gz FUHCXSLVXPZILY-AWEZNQCLSA-N 1 1 314.389 2.954 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000414500471 428322207 /nfs/dbraw/zinc/32/22/07/428322207.db2.gz QHRIGBJCUSUKMM-AWEZNQCLSA-N 1 1 319.405 2.628 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000356855034 428337153 /nfs/dbraw/zinc/33/71/53/428337153.db2.gz PSXFIKBOCQOYSK-UONOGXRCSA-N 1 1 319.405 2.685 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000356855034 428337156 /nfs/dbraw/zinc/33/71/56/428337156.db2.gz PSXFIKBOCQOYSK-UONOGXRCSA-N 1 1 319.405 2.685 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000378213451 428338410 /nfs/dbraw/zinc/33/84/10/428338410.db2.gz WRRDSCMXRXSATL-ZDUSSCGKSA-N 1 1 304.394 2.751 20 5 DFBDMO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000414555968 428339105 /nfs/dbraw/zinc/33/91/05/428339105.db2.gz IWQGCCBSSIXMFI-ZKKXHLJNSA-N 1 1 317.389 2.597 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3Cc4ccccc43)C2)nc1 ZINC000346993360 428400049 /nfs/dbraw/zinc/40/00/49/428400049.db2.gz JFMJJEMSOXRDNI-LSDHHAIUSA-N 1 1 324.384 2.816 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000353145412 428403155 /nfs/dbraw/zinc/40/31/55/428403155.db2.gz WEAQBFPVWYXQDL-MRXNPFEDSA-N 1 1 321.421 2.958 20 5 DFBDMO CCCN1CCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000353145412 428403160 /nfs/dbraw/zinc/40/31/60/428403160.db2.gz WEAQBFPVWYXQDL-MRXNPFEDSA-N 1 1 321.421 2.958 20 5 DFBDMO CN(C)c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC000346894460 428362416 /nfs/dbraw/zinc/36/24/16/428362416.db2.gz YSBRDWWKIMGIEM-UHFFFAOYSA-N 1 1 320.736 2.962 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353033169 428364179 /nfs/dbraw/zinc/36/41/79/428364179.db2.gz YNYUVOBAWJRCCJ-JTQLQIEISA-N 1 1 316.304 2.665 20 5 DFBDMO C[N@@H+](C[C@H]1CC12CCN(c1ccc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000378355998 428374192 /nfs/dbraw/zinc/37/41/92/428374192.db2.gz RHNANHNTYFKZKY-CYBMUJFWSA-N 1 1 316.405 2.691 20 5 DFBDMO C[NH+](C)[C@H](CNc1ccncc1[N+](=O)[O-])c1ccccc1Cl ZINC000357049887 428374787 /nfs/dbraw/zinc/37/47/87/428374787.db2.gz NOBSHQSVBLAPNZ-CQSZACIVSA-N 1 1 320.780 2.780 20 5 DFBDMO C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000353102671 428386601 /nfs/dbraw/zinc/38/66/01/428386601.db2.gz RWUIULIITYDKKH-RISCZKNCSA-N 1 1 314.345 2.546 20 5 DFBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000342788741 428455766 /nfs/dbraw/zinc/45/57/66/428455766.db2.gz PLVDCISIVFOABN-UHFFFAOYSA-N 1 1 324.384 3.331 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000414925792 428460563 /nfs/dbraw/zinc/46/05/63/428460563.db2.gz MFKVBBROYQHTQN-FVQBIDKESA-N 1 1 303.406 2.648 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000372683864 428487366 /nfs/dbraw/zinc/48/73/66/428487366.db2.gz WLSFEKUKPDXBFO-UHFFFAOYSA-N 1 1 321.768 2.746 20 5 DFBDMO COc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000353389817 428518251 /nfs/dbraw/zinc/51/82/51/428518251.db2.gz XIDMWOKZLDBQKX-KFWWJZLASA-N 1 1 319.405 2.566 20 5 DFBDMO COc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000353389817 428518257 /nfs/dbraw/zinc/51/82/57/428518257.db2.gz XIDMWOKZLDBQKX-KFWWJZLASA-N 1 1 319.405 2.566 20 5 DFBDMO C[C@H]([NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353391238 428518387 /nfs/dbraw/zinc/51/83/87/428518387.db2.gz BJNSLHMMFNBEPR-XHDPSFHLSA-N 1 1 300.362 2.806 20 5 DFBDMO C[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000357418580 428525868 /nfs/dbraw/zinc/52/58/68/428525868.db2.gz QCNOMWRPKHXHDO-JQWIXIFHSA-N 1 1 317.345 2.554 20 5 DFBDMO CCN1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1=O ZINC000347281872 428526535 /nfs/dbraw/zinc/52/65/35/428526535.db2.gz WIHOMKVVPMOEGB-GXDHUFHOSA-N 1 1 317.389 2.552 20 5 DFBDMO CCN1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1=O ZINC000347281872 428526540 /nfs/dbraw/zinc/52/65/40/428526540.db2.gz WIHOMKVVPMOEGB-GXDHUFHOSA-N 1 1 317.389 2.552 20 5 DFBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000360878381 428474523 /nfs/dbraw/zinc/47/45/23/428474523.db2.gz XIACVJYXOGNXEJ-GFCCVEGCSA-N 1 1 318.402 2.935 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000360882937 428476756 /nfs/dbraw/zinc/47/67/56/428476756.db2.gz HRCCVISDXBLPPS-AWEZNQCLSA-N 1 1 304.394 2.975 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Cl)cn3)CC2)n1 ZINC000373277537 428538396 /nfs/dbraw/zinc/53/83/96/428538396.db2.gz ZAWCCNOFJCBQPX-UHFFFAOYSA-N 1 1 321.768 2.677 20 5 DFBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000361153367 428541074 /nfs/dbraw/zinc/54/10/74/428541074.db2.gz HZNANOBHFNWGRA-IAQYHMDHSA-N 1 1 318.402 3.156 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000408052325 428596394 /nfs/dbraw/zinc/59/63/94/428596394.db2.gz UDYDATSBWBKKCH-FRRDWIJNSA-N 1 1 321.377 2.665 20 5 DFBDMO CS[C@@H](C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353633749 428631315 /nfs/dbraw/zinc/63/13/15/428631315.db2.gz TYPCEKOVIKUYQD-FZMZJTMJSA-N 1 1 320.418 2.759 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000373720889 428639803 /nfs/dbraw/zinc/63/98/03/428639803.db2.gz QFISDSQFSAFUTH-OAHLLOKOSA-N 1 1 316.361 2.637 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000373720889 428639805 /nfs/dbraw/zinc/63/98/05/428639805.db2.gz QFISDSQFSAFUTH-OAHLLOKOSA-N 1 1 316.361 2.637 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000247035720 274290275 /nfs/dbraw/zinc/29/02/75/274290275.db2.gz VCSKNIATIRKVHT-OLZOCXBDSA-N 1 1 317.389 2.604 20 5 DFBDMO CCc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000348380475 428726876 /nfs/dbraw/zinc/72/68/76/428726876.db2.gz KIWOUANHVIUALE-UHFFFAOYSA-N 1 1 311.345 2.718 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)C[C@@H]1C ZINC000411279341 428769826 /nfs/dbraw/zinc/76/98/26/428769826.db2.gz BUVQQBBTPXCNPB-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@H]1C ZINC000411279343 428770872 /nfs/dbraw/zinc/77/08/72/428770872.db2.gz BUVQQBBTPXCNPB-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353910992 428774913 /nfs/dbraw/zinc/77/49/13/428774913.db2.gz FFWRPUMHACJZHM-DGCLKSJQSA-N 1 1 320.393 2.761 20 5 DFBDMO CCOc1cc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000345170549 428781708 /nfs/dbraw/zinc/78/17/08/428781708.db2.gz ILKVTFDQILJLAK-OLZOCXBDSA-N 1 1 307.394 2.912 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000374728394 428740110 /nfs/dbraw/zinc/74/01/10/428740110.db2.gz UBOIMAXFRIPRQB-ROJDOSBLSA-N 1 1 312.373 2.969 20 5 DFBDMO Cc1ccc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000363045052 428847588 /nfs/dbraw/zinc/84/75/88/428847588.db2.gz BRCZPLJYLGLAPS-HNNXBMFYSA-N 1 1 300.362 2.937 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000375051581 428798202 /nfs/dbraw/zinc/79/82/02/428798202.db2.gz WWCUEUSSCSZXLH-WBMJQRKESA-N 1 1 312.373 2.673 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000359091730 428812625 /nfs/dbraw/zinc/81/26/25/428812625.db2.gz FKSGTNLVHSCYEQ-CQSZACIVSA-N 1 1 306.410 2.996 20 5 DFBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000354023508 428828058 /nfs/dbraw/zinc/82/80/58/428828058.db2.gz CTPMCMRWGQAOLT-ZIAGYGMSSA-N 1 1 322.405 2.703 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359139064 428837056 /nfs/dbraw/zinc/83/70/56/428837056.db2.gz BMIKOWVLWGUPTP-UHFFFAOYSA-N 1 1 318.333 2.514 20 5 DFBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000375317321 428853342 /nfs/dbraw/zinc/85/33/42/428853342.db2.gz DFXXRIZAOUQKGM-GOSISDBHSA-N 1 1 323.352 2.691 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000349043057 428907293 /nfs/dbraw/zinc/90/72/93/428907293.db2.gz XKFMVKWTTYSLGI-OIQJVACTSA-N 1 1 308.353 2.795 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000349043057 428907298 /nfs/dbraw/zinc/90/72/98/428907298.db2.gz XKFMVKWTTYSLGI-OIQJVACTSA-N 1 1 308.353 2.795 20 5 DFBDMO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000411783297 428857497 /nfs/dbraw/zinc/85/74/97/428857497.db2.gz FYYJUJBCGGVIFJ-FZMZJTMJSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000411783297 428857503 /nfs/dbraw/zinc/85/75/03/428857503.db2.gz FYYJUJBCGGVIFJ-FZMZJTMJSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@H](COC(F)F)C2)cc1[N+](=O)[O-] ZINC000348870682 428864735 /nfs/dbraw/zinc/86/47/35/428864735.db2.gz BRTDCQVAFDNEAR-LBPRGKRZSA-N 1 1 300.305 2.964 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000363123014 428864911 /nfs/dbraw/zinc/86/49/11/428864911.db2.gz WRIUAYZHZYOZTO-AWEZNQCLSA-N 1 1 316.361 2.507 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000354125132 428874028 /nfs/dbraw/zinc/87/40/28/428874028.db2.gz BMVWKJGOFRAYAM-HOTGVXAUSA-N 1 1 319.405 2.816 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000354125132 428874030 /nfs/dbraw/zinc/87/40/30/428874030.db2.gz BMVWKJGOFRAYAM-HOTGVXAUSA-N 1 1 319.405 2.816 20 5 DFBDMO C[C@H]1C[C@@H](c2cccs2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000363305201 428900958 /nfs/dbraw/zinc/90/09/58/428900958.db2.gz AFOYDKPPDFHGGO-NWDGAFQWSA-N 1 1 306.391 2.731 20 5 DFBDMO CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224607 428926647 /nfs/dbraw/zinc/92/66/47/428926647.db2.gz NYSVMDKJYQMKGT-YOEHRIQHSA-N 1 1 305.422 2.942 20 5 DFBDMO CCN1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224607 428926655 /nfs/dbraw/zinc/92/66/55/428926655.db2.gz NYSVMDKJYQMKGT-YOEHRIQHSA-N 1 1 305.422 2.942 20 5 DFBDMO CCN1CC[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224607 428926659 /nfs/dbraw/zinc/92/66/59/428926659.db2.gz NYSVMDKJYQMKGT-YOEHRIQHSA-N 1 1 305.422 2.942 20 5 DFBDMO CC[N@@H+]1CC[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224607 428926666 /nfs/dbraw/zinc/92/66/66/428926666.db2.gz NYSVMDKJYQMKGT-YOEHRIQHSA-N 1 1 305.422 2.942 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354224607 428926669 /nfs/dbraw/zinc/92/66/69/428926669.db2.gz NYSVMDKJYQMKGT-YOEHRIQHSA-N 1 1 305.422 2.942 20 5 DFBDMO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363525835 428934209 /nfs/dbraw/zinc/93/42/09/428934209.db2.gz SQRHJIMOKHFYOV-MRXNPFEDSA-N 1 1 317.389 2.572 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1Cc2ccccc2[C@H]1O ZINC000375664772 428935442 /nfs/dbraw/zinc/93/54/42/428935442.db2.gz JOPJDMFSNIJKNZ-ZWKOTPCHSA-N 1 1 312.369 2.727 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000345574938 428942338 /nfs/dbraw/zinc/94/23/38/428942338.db2.gz PTLDQJMMIMCIHI-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412106178 428955531 /nfs/dbraw/zinc/95/55/31/428955531.db2.gz GSDGXQVWUSQEQJ-JKSUJKDBSA-N 1 1 319.405 2.546 20 5 DFBDMO Cc1nc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766764 428965744 /nfs/dbraw/zinc/96/57/44/428965744.db2.gz XTQUGMXOLUPMBN-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766764 428965749 /nfs/dbraw/zinc/96/57/49/428965749.db2.gz XTQUGMXOLUPMBN-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451915656 429019219 /nfs/dbraw/zinc/01/92/19/429019219.db2.gz VUGCIJIDINFDFF-NRUUGDAUSA-N 1 1 318.295 2.901 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915604 429019769 /nfs/dbraw/zinc/01/97/69/429019769.db2.gz VSJCHVQRRZTVJF-SUZMYJTESA-N 1 1 318.295 2.901 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1CSCC[N@@H+](C)Cc1ccccc1 ZINC000433021118 428979702 /nfs/dbraw/zinc/97/97/02/428979702.db2.gz FOZKRLDGCVZIKT-UHFFFAOYSA-N 1 1 320.418 2.694 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000375814469 428984310 /nfs/dbraw/zinc/98/43/10/428984310.db2.gz LPKRZDGRGRYPDP-UKRRQHHQSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1c(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000375815638 428985940 /nfs/dbraw/zinc/98/59/40/428985940.db2.gz PAKSWZJZKOJBKX-JSGCOSHPSA-N 1 1 317.389 2.602 20 5 DFBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCSC1 ZINC000433196764 429009505 /nfs/dbraw/zinc/00/95/05/429009505.db2.gz MPBSFOSGVBUVFQ-MRXNPFEDSA-N 1 1 324.446 2.981 20 5 DFBDMO COC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000452092169 429053479 /nfs/dbraw/zinc/05/34/79/429053479.db2.gz SRABGXRJJOJZQD-CYBMUJFWSA-N 1 1 308.378 2.852 20 5 DFBDMO Cc1nnsc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293790807 274873093 /nfs/dbraw/zinc/87/30/93/274873093.db2.gz UJWBGVCWGPXDPD-ZDUSSCGKSA-N 1 1 304.375 2.922 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452113469 429059940 /nfs/dbraw/zinc/05/99/40/429059940.db2.gz BZRXOGAHGXNYEU-ZDUSSCGKSA-N 1 1 308.378 2.588 20 5 DFBDMO COc1cc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000452114152 429060712 /nfs/dbraw/zinc/06/07/12/429060712.db2.gz JRNXWGAESMNSDQ-AWEZNQCLSA-N 1 1 307.394 2.518 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000374353798 274897940 /nfs/dbraw/zinc/89/79/40/274897940.db2.gz SMZBTPZCIGRLHE-CYBMUJFWSA-N 1 1 323.356 2.870 20 5 DFBDMO C[C@@H]1[NH2+]CCC[C@H]1N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382768 429076206 /nfs/dbraw/zinc/07/62/06/429076206.db2.gz PCQJUGOTWJJBHR-APHBMKBZSA-N 1 1 303.406 2.646 20 5 DFBDMO COc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000363957270 429147107 /nfs/dbraw/zinc/14/71/07/429147107.db2.gz FADRCJSWMNXBQC-MNOVXSKESA-N 1 1 309.341 2.781 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000376617893 429148761 /nfs/dbraw/zinc/14/87/61/429148761.db2.gz KRUVQJBAAFVYCR-CYBMUJFWSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435584317 429150944 /nfs/dbraw/zinc/15/09/44/429150944.db2.gz LCGNRWMDBYHXJC-OAHLLOKOSA-N 1 1 318.421 3.507 20 5 DFBDMO C[C@@H]1CN([C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)C[NH3+] ZINC000423514204 429107262 /nfs/dbraw/zinc/10/72/62/429107262.db2.gz SMKVCVLYCWDOFV-CSMYWGQOSA-N 1 1 303.406 2.889 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)[C@H]2C1 ZINC000376484446 429121072 /nfs/dbraw/zinc/12/10/72/429121072.db2.gz NEVOHOHBELWMAW-WBMJQRKESA-N 1 1 312.373 2.673 20 5 DFBDMO O=C(CC[N@H+]1CC[C@H](C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000376496815 429123293 /nfs/dbraw/zinc/12/32/93/429123293.db2.gz ZVWXAVBNBLKYKM-LBPRGKRZSA-N 1 1 321.352 2.794 20 5 DFBDMO O=C(CC[N@H+]1CC[C@@H](C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000376496814 429124533 /nfs/dbraw/zinc/12/45/33/429124533.db2.gz ZVWXAVBNBLKYKM-GFCCVEGCSA-N 1 1 321.352 2.794 20 5 DFBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000025372549 275040276 /nfs/dbraw/zinc/04/02/76/275040276.db2.gz SPFGDZSQOSZPLC-UHFFFAOYSA-N 1 1 303.387 2.979 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000364345166 429188176 /nfs/dbraw/zinc/18/81/76/429188176.db2.gz MJCHXJKAVUZNRC-LBPRGKRZSA-N 1 1 324.431 2.643 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000364345166 429188178 /nfs/dbraw/zinc/18/81/78/429188178.db2.gz MJCHXJKAVUZNRC-LBPRGKRZSA-N 1 1 324.431 2.643 20 5 DFBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488726117 429191436 /nfs/dbraw/zinc/19/14/36/429191436.db2.gz VCJUWTRMLFSQRI-GMXVVIOVSA-N 1 1 324.812 2.810 20 5 DFBDMO COc1cccc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488750091 429195186 /nfs/dbraw/zinc/19/51/86/429195186.db2.gz NFBIBFAVIVXROZ-KCQAQPDRSA-N 1 1 319.405 2.770 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000456159756 429251703 /nfs/dbraw/zinc/25/17/03/429251703.db2.gz HCCJVJOQFLQPFN-DGCLKSJQSA-N 1 1 320.393 2.551 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CCC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000364709009 429253089 /nfs/dbraw/zinc/25/30/89/429253089.db2.gz JPYWBUHUMSBZCJ-AWEZNQCLSA-N 1 1 309.797 2.918 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425277011 429256082 /nfs/dbraw/zinc/25/60/82/429256082.db2.gz CAYBVSCSRDMLJL-XJKSGUPXSA-N 1 1 312.373 2.673 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000365537374 429336639 /nfs/dbraw/zinc/33/66/39/429336639.db2.gz VTHRERRUUMXJTD-NSHDSACASA-N 1 1 304.325 2.851 20 5 DFBDMO COc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000365562172 429341752 /nfs/dbraw/zinc/34/17/52/429341752.db2.gz ZHVOKILQGNXQQK-GFCCVEGCSA-N 1 1 316.361 2.721 20 5 DFBDMO CC1(C)CCCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000446061099 429296357 /nfs/dbraw/zinc/29/63/57/429296357.db2.gz KLFXDQLXUAKIPH-AWEZNQCLSA-N 1 1 322.405 2.847 20 5 DFBDMO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)CO ZINC000425443033 429296540 /nfs/dbraw/zinc/29/65/40/429296540.db2.gz IZWAUEJKFANOSV-SECBINFHSA-N 1 1 317.183 2.560 20 5 DFBDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425460337 429302095 /nfs/dbraw/zinc/30/20/95/429302095.db2.gz RKLHTEHVFKESTQ-SECBINFHSA-N 1 1 317.183 2.824 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425496244 429310457 /nfs/dbraw/zinc/31/04/57/429310457.db2.gz AGRALQIGXMZFOT-IUODEOHRSA-N 1 1 301.350 2.584 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425503500 429312417 /nfs/dbraw/zinc/31/24/17/429312417.db2.gz SLWJHVCPTYNYSY-CHWSQXEVSA-N 1 1 301.350 2.584 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000425511361 429314329 /nfs/dbraw/zinc/31/43/29/429314329.db2.gz COWNKYZFABBLCY-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000425511361 429314331 /nfs/dbraw/zinc/31/43/31/429314331.db2.gz COWNKYZFABBLCY-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnc(C)c1 ZINC000449400788 429404725 /nfs/dbraw/zinc/40/47/25/429404725.db2.gz DCPDVARGOTTZIK-UHFFFAOYSA-N 1 1 301.346 2.987 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(Cl)o3)CC2)n1 ZINC000425958079 429353882 /nfs/dbraw/zinc/35/38/82/429353882.db2.gz LLHUTBOJLSXFIP-UHFFFAOYSA-N 1 1 310.741 2.875 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000514743435 429369882 /nfs/dbraw/zinc/36/98/82/429369882.db2.gz QVMWCZIFOBYTNF-JTQLQIEISA-N 1 1 315.320 2.727 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](Oc3ccccn3)C2)cc1 ZINC000366274668 429445264 /nfs/dbraw/zinc/44/52/64/429445264.db2.gz ZHRFOWJDLFTCRV-INIZCTEOSA-N 1 1 313.357 2.686 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449498801 429435535 /nfs/dbraw/zinc/43/55/35/429435535.db2.gz LEBGWUUIZYIWGK-HNNXBMFYSA-N 1 1 300.362 2.708 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000449679657 429476903 /nfs/dbraw/zinc/47/69/03/429476903.db2.gz AQOPYSSALZOYAR-KRWDZBQOSA-N 1 1 320.389 2.996 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000519732794 429483825 /nfs/dbraw/zinc/48/38/25/429483825.db2.gz UWRNYGNWFGONRM-TZMCWYRMSA-N 1 1 306.410 2.773 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000366618327 429488297 /nfs/dbraw/zinc/48/82/97/429488297.db2.gz DTPGBMMLNUDJSN-XJKSGUPXSA-N 1 1 319.405 2.520 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520161133 429500669 /nfs/dbraw/zinc/50/06/69/429500669.db2.gz JTYUUQGLLZPPAR-UHFFFAOYSA-N 1 1 320.393 2.933 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000449784763 429509446 /nfs/dbraw/zinc/50/94/46/429509446.db2.gz CHUCCQMGMLKYDF-INIZCTEOSA-N 1 1 321.421 2.908 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@]4(C3)CCCOC4)nc2c1 ZINC000367053558 429567141 /nfs/dbraw/zinc/56/71/41/429567141.db2.gz GAQCOKIWBXQSDU-MRXNPFEDSA-N 1 1 317.345 2.739 20 5 DFBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000521895822 429567805 /nfs/dbraw/zinc/56/78/05/429567805.db2.gz GXKFKLORDIRSIS-AWEZNQCLSA-N 1 1 319.405 2.674 20 5 DFBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429000939 429568516 /nfs/dbraw/zinc/56/85/16/429568516.db2.gz GIMPQATWAIFBSJ-IIDMSEBBSA-N 1 1 317.433 2.799 20 5 DFBDMO CCOc1cc(C[N@@H+](C)CC2CCOCC2)ccc1[N+](=O)[O-] ZINC000492581792 429570192 /nfs/dbraw/zinc/57/01/92/429570192.db2.gz JNWSCGPAIKVWSO-UHFFFAOYSA-N 1 1 308.378 2.852 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])cc1F ZINC000367071938 429572134 /nfs/dbraw/zinc/57/21/34/429572134.db2.gz DDHLTSCTIMQLNL-MRXNPFEDSA-N 1 1 324.352 2.745 20 5 DFBDMO CCOC(=O)c1cc(NC[C@H]2CCC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000450214465 429580119 /nfs/dbraw/zinc/58/01/19/429580119.db2.gz HPDVOAKXCJPFIS-CYBMUJFWSA-N 1 1 321.377 2.668 20 5 DFBDMO COC(=O)[C@H](CC(C)C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000429154136 429583087 /nfs/dbraw/zinc/58/30/87/429583087.db2.gz FSXVAWXFBPXBRU-HNNXBMFYSA-N 1 1 308.378 2.657 20 5 DFBDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000429154136 429583091 /nfs/dbraw/zinc/58/30/91/429583091.db2.gz FSXVAWXFBPXBRU-HNNXBMFYSA-N 1 1 308.378 2.657 20 5 DFBDMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000366908104 429538872 /nfs/dbraw/zinc/53/88/72/429538872.db2.gz CCPVVWABSMBRFB-BLLLJJGKSA-N 1 1 322.336 2.509 20 5 DFBDMO C[C@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000429580227 429618051 /nfs/dbraw/zinc/61/80/51/429618051.db2.gz UCHWGOIZRQQFSI-JSGCOSHPSA-N 1 1 317.389 2.604 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000450550972 429647130 /nfs/dbraw/zinc/64/71/30/429647130.db2.gz ZEPXDXFQJTWRJO-GFCCVEGCSA-N 1 1 317.389 2.718 20 5 DFBDMO Cc1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000450549320 429647483 /nfs/dbraw/zinc/64/74/83/429647483.db2.gz VMHHQRADLKXZPM-LLVKDONJSA-N 1 1 307.369 2.963 20 5 DFBDMO CC[N@@H+](C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450279137 429591253 /nfs/dbraw/zinc/59/12/53/429591253.db2.gz SRXUJNDTXLVFRL-UHFFFAOYSA-N 1 1 306.391 3.082 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429528875 429612213 /nfs/dbraw/zinc/61/22/13/429612213.db2.gz NYBLBTSUGUDPTG-ZDUSSCGKSA-N 1 1 319.405 2.894 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000430214496 429662449 /nfs/dbraw/zinc/66/24/49/429662449.db2.gz ZOGFQEPDKWWYIV-UKRRQHHQSA-N 1 1 306.362 2.604 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000430217149 429662690 /nfs/dbraw/zinc/66/26/90/429662690.db2.gz ILTLZKWCGHZRJQ-HIFRSBDPSA-N 1 1 320.389 2.852 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000430228601 429665443 /nfs/dbraw/zinc/66/54/43/429665443.db2.gz SLOXXQMAOBKSMI-UHFFFAOYSA-N 1 1 316.357 2.598 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000430228601 429665445 /nfs/dbraw/zinc/66/54/45/429665445.db2.gz SLOXXQMAOBKSMI-UHFFFAOYSA-N 1 1 316.357 2.598 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246431 429666836 /nfs/dbraw/zinc/66/68/36/429666836.db2.gz WFLXIXZTSGQGMR-CQSZACIVSA-N 1 1 321.421 2.767 20 5 DFBDMO CC[N@@H+](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000102069513 276128766 /nfs/dbraw/zinc/12/87/66/276128766.db2.gz FSDABXALQJIYHX-UHFFFAOYSA-N 1 1 306.366 2.509 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc(C)s1 ZINC000526045013 429698108 /nfs/dbraw/zinc/69/81/08/429698108.db2.gz KKVAEFXCYJEKOH-UXBLZVDNSA-N 1 1 304.375 2.948 20 5 DFBDMO CCOc1cccc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292181913 276381319 /nfs/dbraw/zinc/38/13/19/276381319.db2.gz FKPWKTZSFSMNBJ-INIZCTEOSA-N 1 1 305.378 2.526 20 5 DFBDMO CC1(C)CCC[N@H+]1CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493295374 429730291 /nfs/dbraw/zinc/73/02/91/429730291.db2.gz XVDYWKQKGSPIMQ-HJWRWDBZSA-N 1 1 317.389 2.599 20 5 DFBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431127125 429744042 /nfs/dbraw/zinc/74/40/42/429744042.db2.gz IVHUUJZRVSEPFM-CZUORRHYSA-N 1 1 322.405 2.701 20 5 DFBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000431130467 429745069 /nfs/dbraw/zinc/74/50/69/429745069.db2.gz VMHYKALNQDYCAB-HOCLYGCPSA-N 1 1 322.405 2.701 20 5 DFBDMO C[NH+]1CCC([C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000368131661 429796119 /nfs/dbraw/zinc/79/61/19/429796119.db2.gz BDRCQWNSWYIHFJ-CQSZACIVSA-N 1 1 309.435 2.820 20 5 DFBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@H]2C1 ZINC000486040600 429748503 /nfs/dbraw/zinc/74/85/03/429748503.db2.gz UARLKGVSDHSTSX-BETUJISGSA-N 1 1 319.405 2.770 20 5 DFBDMO Cn1c2cc(F)ccc2[nH+]c1NCCc1cccc([N+](=O)[O-])c1 ZINC000431408387 429761206 /nfs/dbraw/zinc/76/12/06/429761206.db2.gz VHGAAYXYQUJENS-UHFFFAOYSA-N 1 1 314.320 3.275 20 5 DFBDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451142147 429774585 /nfs/dbraw/zinc/77/45/85/429774585.db2.gz FTSAJIJOSKSMOH-AXFHLTTASA-N 1 1 320.315 2.843 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368058974 429778337 /nfs/dbraw/zinc/77/83/37/429778337.db2.gz AYUCNEHODVXHED-QGZVFWFLSA-N 1 1 322.405 2.834 20 5 DFBDMO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000432349092 429815838 /nfs/dbraw/zinc/81/58/38/429815838.db2.gz UYOBXDDXENUDDK-NEPJUHHUSA-N 1 1 300.362 2.672 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000451415256 429826638 /nfs/dbraw/zinc/82/66/38/429826638.db2.gz FNSQPUCKWDJPME-FMKPAKJESA-N 1 1 320.389 2.729 20 5 DFBDMO CCO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000451542669 429847232 /nfs/dbraw/zinc/84/72/32/429847232.db2.gz NYBYVBWGGACGOK-SMDDNHRTSA-N 1 1 319.361 2.983 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000451542669 429847235 /nfs/dbraw/zinc/84/72/35/429847235.db2.gz NYBYVBWGGACGOK-SMDDNHRTSA-N 1 1 319.361 2.983 20 5 DFBDMO Cc1nccn1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545598 429849985 /nfs/dbraw/zinc/84/99/85/429849985.db2.gz HTLVVDUELVLUEU-MRXNPFEDSA-N 1 1 314.389 2.979 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000451552819 429852005 /nfs/dbraw/zinc/85/20/05/429852005.db2.gz YZSMNQPBSGBRNO-SWLSCSKDSA-N 1 1 308.378 2.850 20 5 DFBDMO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451568703 429857058 /nfs/dbraw/zinc/85/70/58/429857058.db2.gz OAKSLHQOBQWFFY-ZFWWWQNUSA-N 1 1 319.405 2.689 20 5 DFBDMO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451568703 429857060 /nfs/dbraw/zinc/85/70/60/429857060.db2.gz OAKSLHQOBQWFFY-ZFWWWQNUSA-N 1 1 319.405 2.689 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494268102 429864837 /nfs/dbraw/zinc/86/48/37/429864837.db2.gz LWHLSWXYSSCHCW-UHFFFAOYSA-N 1 1 304.321 2.728 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494268102 429864840 /nfs/dbraw/zinc/86/48/40/429864840.db2.gz LWHLSWXYSSCHCW-UHFFFAOYSA-N 1 1 304.321 2.728 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451720813 429878416 /nfs/dbraw/zinc/87/84/16/429878416.db2.gz YNNQCJWPDUMRAI-XJKCOSOUSA-N 1 1 320.389 2.586 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000451726723 429879068 /nfs/dbraw/zinc/87/90/68/429879068.db2.gz VTMGXOHVPVXTCS-CQSZACIVSA-N 1 1 307.394 2.520 20 5 DFBDMO CC(=O)c1ccc(N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000368669889 429885262 /nfs/dbraw/zinc/88/52/62/429885262.db2.gz BREIBRPPDUAUHF-HUUCEWRRSA-N 1 1 317.389 2.860 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000368801149 429895344 /nfs/dbraw/zinc/89/53/44/429895344.db2.gz WJMLZJLZUWZNLH-INIZCTEOSA-N 1 1 314.341 2.812 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC23CCCCC3)c1 ZINC000368898011 429900531 /nfs/dbraw/zinc/90/05/31/429900531.db2.gz VTAISXBBCRJXLW-HNNXBMFYSA-N 1 1 320.389 2.743 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451709986 429875936 /nfs/dbraw/zinc/87/59/36/429875936.db2.gz OWXSIWJPEXAVTL-JHJVBQTASA-N 1 1 308.353 2.717 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562216953 430111365 /nfs/dbraw/zinc/11/13/65/430111365.db2.gz AEOWGZCCOQQVPR-ZIAGYGMSSA-N 1 1 321.421 2.935 20 5 DFBDMO CC(C)Oc1nc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000581081738 430178188 /nfs/dbraw/zinc/17/81/88/430178188.db2.gz FDSIYGAYPVGANQ-CHWSQXEVSA-N 1 1 322.409 2.553 20 5 DFBDMO Cn1c(NCc2cccc([N+](=O)[O-])c2)[nH+]c2cccc(F)c21 ZINC000562532550 430143431 /nfs/dbraw/zinc/14/34/31/430143431.db2.gz UVTGLQPYDMFQEH-UHFFFAOYSA-N 1 1 300.293 3.233 20 5 DFBDMO C[N@@H+]1C[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000302850864 277199153 /nfs/dbraw/zinc/19/91/53/277199153.db2.gz ITJJMXFKGOHNLA-AOOOYVTPSA-N 1 1 315.295 2.611 20 5 DFBDMO C[C@@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C[N@H+]1C1CC1 ZINC000581485439 430213188 /nfs/dbraw/zinc/21/31/88/430213188.db2.gz VEHIYDMKQTWPPC-DGCLKSJQSA-N 1 1 316.405 2.906 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cncnc1C ZINC000582311075 430289388 /nfs/dbraw/zinc/28/93/88/430289388.db2.gz CFNFZGFFKMSDMH-SNVBAGLBSA-N 1 1 302.334 2.553 20 5 DFBDMO Cc1cc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000547449734 430394377 /nfs/dbraw/zinc/39/43/77/430394377.db2.gz UPJFLVJRVMJQCT-CYBMUJFWSA-N 1 1 320.393 2.755 20 5 DFBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000548454014 430477040 /nfs/dbraw/zinc/47/70/40/430477040.db2.gz KBUIVNQKXYZZDG-OAHLLOKOSA-N 1 1 305.378 2.541 20 5 DFBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000547798826 430424020 /nfs/dbraw/zinc/42/40/20/430424020.db2.gz JAHZYZLCARNKJR-HNNXBMFYSA-N 1 1 305.378 2.541 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000569916376 430496546 /nfs/dbraw/zinc/49/65/46/430496546.db2.gz GGOJDWWXIKPXDO-GFCCVEGCSA-N 1 1 320.393 2.621 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000570043455 430507784 /nfs/dbraw/zinc/50/77/84/430507784.db2.gz XTJDYUBRDJUDEM-CABCVRRESA-N 1 1 320.389 2.994 20 5 DFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CCCCC1 ZINC000548936017 430512857 /nfs/dbraw/zinc/51/28/57/430512857.db2.gz GYBGFWGRFWKLSJ-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CCCCC1 ZINC000548936017 430512862 /nfs/dbraw/zinc/51/28/62/430512862.db2.gz GYBGFWGRFWKLSJ-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO C[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000571023202 430596549 /nfs/dbraw/zinc/59/65/49/430596549.db2.gz FLSDWIRBDOSDIR-NSHDSACASA-N 1 1 314.345 2.798 20 5 DFBDMO CCC[C@@H](C(=O)OCC)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554846648 430654407 /nfs/dbraw/zinc/65/44/07/430654407.db2.gz FSYURFFOLZGKBL-HNNXBMFYSA-N 1 1 308.378 2.801 20 5 DFBDMO CCC[C@@H](C(=O)OCC)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554846648 430654409 /nfs/dbraw/zinc/65/44/09/430654409.db2.gz FSYURFFOLZGKBL-HNNXBMFYSA-N 1 1 308.378 2.801 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)C1CC1 ZINC000571290553 430618212 /nfs/dbraw/zinc/61/82/12/430618212.db2.gz ZBTANTWHESRHHK-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO CC[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000553604149 430620916 /nfs/dbraw/zinc/62/09/16/430620916.db2.gz HFOVZPLIEBDROL-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO C[C@@H]1CC[N@H+](CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507156 430633221 /nfs/dbraw/zinc/63/32/21/430633221.db2.gz SCIUIHRQAGFLAV-CXAGYDPISA-N 1 1 303.406 2.904 20 5 DFBDMO COc1cccc(N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000375345783 278015652 /nfs/dbraw/zinc/01/56/52/278015652.db2.gz RKGARRJXAWATEA-UHFFFAOYSA-N 1 1 305.378 2.668 20 5 DFBDMO CC(C)c1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000188077201 278030194 /nfs/dbraw/zinc/03/01/94/278030194.db2.gz QOWCCTXSTPMSBC-BETUJISGSA-N 1 1 319.405 2.883 20 5 DFBDMO CC(C)c1ccc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000188077201 278030197 /nfs/dbraw/zinc/03/01/97/278030197.db2.gz QOWCCTXSTPMSBC-BETUJISGSA-N 1 1 319.405 2.883 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353549327 278031476 /nfs/dbraw/zinc/03/14/76/278031476.db2.gz PQISDZQKKJBNKD-SWLSCSKDSA-N 1 1 319.405 2.931 20 5 DFBDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246345 279004895 /nfs/dbraw/zinc/00/48/95/279004895.db2.gz PZBCVCNUPJMACR-HIFRSBDPSA-N 1 1 300.362 2.669 20 5 DFBDMO Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262058626 280573412 /nfs/dbraw/zinc/57/34/12/280573412.db2.gz DRUSVBHMCKSASL-HZMBPMFUSA-N 1 1 300.362 2.625 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000246761844 281008651 /nfs/dbraw/zinc/00/86/51/281008651.db2.gz OTHZAFSPNKAEEN-KGLIPLIRSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000278303704 281257716 /nfs/dbraw/zinc/25/77/16/281257716.db2.gz IYVIALSYSBCOCD-CQSZACIVSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000120599075 281259264 /nfs/dbraw/zinc/25/92/64/281259264.db2.gz KDBVDPMWPOPCCZ-CQSZACIVSA-N 1 1 319.405 2.593 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000279653864 290266757 /nfs/dbraw/zinc/26/67/57/290266757.db2.gz BWWBTUVYARSPRV-QLFBSQMISA-N 1 1 321.421 2.697 20 5 DFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCOCC1 ZINC000155979972 295329114 /nfs/dbraw/zinc/32/91/14/295329114.db2.gz MDJVUASHGVSAJP-UHFFFAOYSA-N 1 1 305.334 2.594 20 5 DFBDMO CC(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438485749 297094966 /nfs/dbraw/zinc/09/49/66/297094966.db2.gz FHDISPXMSDIVFV-STQMWFEESA-N 1 1 305.378 2.900 20 5 DFBDMO CC(C)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438488682 297095352 /nfs/dbraw/zinc/09/53/52/297095352.db2.gz HRQHDBOYRMUTIO-OLZOCXBDSA-N 1 1 305.378 2.900 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000247782539 297100037 /nfs/dbraw/zinc/10/00/37/297100037.db2.gz TYNWFFYSNKFGLN-MNOVXSKESA-N 1 1 323.780 2.557 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCO[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000439463400 297126723 /nfs/dbraw/zinc/12/67/23/297126723.db2.gz BLVISOWSKBTXLB-AWEZNQCLSA-N 1 1 308.378 2.994 20 5 DFBDMO Cc1cc(C)cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000444690258 297245433 /nfs/dbraw/zinc/24/54/33/297245433.db2.gz JHEIPMDGMIZQCT-UHFFFAOYSA-N 1 1 315.373 2.505 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000444785960 297251198 /nfs/dbraw/zinc/25/11/98/297251198.db2.gz SPMYRMUOPLSIJT-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC12CCC2 ZINC000444785960 297251201 /nfs/dbraw/zinc/25/12/01/297251201.db2.gz SPMYRMUOPLSIJT-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO COc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000447846253 297320760 /nfs/dbraw/zinc/32/07/60/297320760.db2.gz XMCDDJQHRCUIIG-TZMCWYRMSA-N 1 1 308.378 2.729 20 5 DFBDMO C[N@@H+](CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000454130644 298123640 /nfs/dbraw/zinc/12/36/40/298123640.db2.gz BIZHCAJDYGFKFL-UHFFFAOYSA-N 1 1 306.366 2.591 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000454359498 298161770 /nfs/dbraw/zinc/16/17/70/298161770.db2.gz SJZUYAWMQFTLIE-CQSZACIVSA-N 1 1 306.366 2.541 20 5 DFBDMO CC(C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500069311 300205182 /nfs/dbraw/zinc/20/51/82/300205182.db2.gz GYQBRPKRCXXOSK-ZDUSSCGKSA-N 1 1 305.378 2.901 20 5 DFBDMO CCCNC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC ZINC000510221771 300245061 /nfs/dbraw/zinc/24/50/61/300245061.db2.gz IXLBILBCMSABAN-CLFYSBASSA-N 1 1 319.405 2.846 20 5 DFBDMO CCCNC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC ZINC000510221771 300245063 /nfs/dbraw/zinc/24/50/63/300245063.db2.gz IXLBILBCMSABAN-CLFYSBASSA-N 1 1 319.405 2.846 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000515388401 300304423 /nfs/dbraw/zinc/30/44/23/300304423.db2.gz ATIKAWJITVONAJ-LRDDRELGSA-N 1 1 301.390 2.656 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000515388401 300304424 /nfs/dbraw/zinc/30/44/24/300304424.db2.gz ATIKAWJITVONAJ-LRDDRELGSA-N 1 1 301.390 2.656 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000515643224 300316379 /nfs/dbraw/zinc/31/63/79/300316379.db2.gz GZNHUDCOPPAAES-GJZGRUSLSA-N 1 1 320.389 2.994 20 5 DFBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531656701 301102630 /nfs/dbraw/zinc/10/26/30/301102630.db2.gz NINUZJPAKDBYPW-UKRRQHHQSA-N 1 1 305.378 2.650 20 5 DFBDMO C[C@@H]1C[C@@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000532582145 301160779 /nfs/dbraw/zinc/16/07/79/301160779.db2.gz NMZJQDNXLLQAAO-VXGBXAGGSA-N 1 1 319.361 2.623 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@H]1C ZINC000532572198 301160790 /nfs/dbraw/zinc/16/07/90/301160790.db2.gz NQBUTMBQXMBFFC-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000532572645 301160941 /nfs/dbraw/zinc/16/09/41/301160941.db2.gz OJKSNPPHRLWXRF-NXEZZACHSA-N 1 1 311.769 2.917 20 5 DFBDMO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000532572645 301160943 /nfs/dbraw/zinc/16/09/43/301160943.db2.gz OJKSNPPHRLWXRF-NXEZZACHSA-N 1 1 311.769 2.917 20 5 DFBDMO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000532664767 301166328 /nfs/dbraw/zinc/16/63/28/301166328.db2.gz GAMZEJPTVXTVIZ-UHFFFAOYSA-N 1 1 305.378 2.678 20 5 DFBDMO Cc1nccn1CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534229540 301221330 /nfs/dbraw/zinc/22/13/30/301221330.db2.gz NMTLPQRAVQWDSP-UHFFFAOYSA-N 1 1 300.362 2.548 20 5 DFBDMO O=C1CCCN1CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000534277811 301223578 /nfs/dbraw/zinc/22/35/78/301223578.db2.gz IMXOAOXRNARHHU-UHFFFAOYSA-N 1 1 317.389 2.572 20 5 DFBDMO O=[N+]([O-])c1cccnc1N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548006060 301558277 /nfs/dbraw/zinc/55/82/77/301558277.db2.gz WVQVBTJVAIOZNW-GFCCVEGCSA-N 1 1 313.361 2.517 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000565226159 302210489 /nfs/dbraw/zinc/21/04/89/302210489.db2.gz KIXAODDFZUKCMB-ZDUSSCGKSA-N 1 1 322.409 2.698 20 5 DFBDMO CC(C)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000182184990 316089036 /nfs/dbraw/zinc/08/90/36/316089036.db2.gz YVVPETCAEAMQAO-AWEZNQCLSA-N 1 1 308.378 2.597 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000446486489 317012874 /nfs/dbraw/zinc/01/28/74/317012874.db2.gz WGMKHSGENXJUHI-FZMZJTMJSA-N 1 1 306.366 2.507 20 5 DFBDMO COc1nccc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000449377294 317034058 /nfs/dbraw/zinc/03/40/58/317034058.db2.gz ONTGPCSUKWETFT-UHFFFAOYSA-N 1 1 316.361 2.807 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451427931 317109358 /nfs/dbraw/zinc/10/93/58/317109358.db2.gz VZYMWLGMLPMSHE-GVDBMIGSSA-N 1 1 320.389 2.599 20 5 DFBDMO C[C@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000459392530 317325561 /nfs/dbraw/zinc/32/55/61/317325561.db2.gz LKPRAHLMNXJVAR-JTQLQIEISA-N 1 1 314.345 2.819 20 5 DFBDMO CCn1nncc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459503023 317325907 /nfs/dbraw/zinc/32/59/07/317325907.db2.gz GKEBUWIWRFSLHN-AWEZNQCLSA-N 1 1 315.377 2.586 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488049561 317363117 /nfs/dbraw/zinc/36/31/17/317363117.db2.gz MMXNOGYPPXNEIR-HIFRSBDPSA-N 1 1 319.405 2.955 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000575922484 318091932 /nfs/dbraw/zinc/09/19/32/318091932.db2.gz CYDKNPGEJZGJKH-LBPRGKRZSA-N 1 1 305.378 2.637 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]cc3Cl)CC2)n1 ZINC000577974821 318229768 /nfs/dbraw/zinc/22/97/68/318229768.db2.gz NAJLYKOXATZCCD-UHFFFAOYSA-N 1 1 307.741 2.681 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578946980 318296128 /nfs/dbraw/zinc/29/61/28/318296128.db2.gz CXVUTQKHJKYWJK-BBRMVZONSA-N 1 1 319.405 2.641 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000578949623 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CC[C@@H]1COC(C)(C)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000593056265 398532137 /nfs/dbraw/zinc/53/21/37/398532137.db2.gz DMFCZRKGJUPBKO-CYBMUJFWSA-N 1 1 308.378 2.863 20 5 DFBDMO COc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000091479863 398532321 /nfs/dbraw/zinc/53/23/21/398532321.db2.gz BCUOPCZJQCYYQX-LLVKDONJSA-N 1 1 302.334 2.711 20 5 DFBDMO COc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1C ZINC000319959448 398544571 /nfs/dbraw/zinc/54/45/71/398544571.db2.gz CRGUDCAGNMZMNU-OLZOCXBDSA-N 1 1 305.378 2.951 20 5 DFBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000320287304 398546690 /nfs/dbraw/zinc/54/66/90/398546690.db2.gz PTOPWBNKDCMMEU-ZDUSSCGKSA-N 1 1 322.361 2.521 20 5 DFBDMO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[N@H+]4CCCC[C@@H]34)c2c1 ZINC000321971820 398555541 /nfs/dbraw/zinc/55/55/41/398555541.db2.gz HSOAUKJIKNKWIQ-GJZGRUSLSA-N 1 1 313.361 2.577 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000069249388 398559692 /nfs/dbraw/zinc/55/96/92/398559692.db2.gz KYVKMYDLLQXTNX-AWEZNQCLSA-N 1 1 308.378 2.601 20 5 DFBDMO Cc1cc(CNc2cccnc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000589604114 398563362 /nfs/dbraw/zinc/56/33/62/398563362.db2.gz BEVOBYCKFNOWOC-UHFFFAOYSA-N 1 1 313.361 2.906 20 5 DFBDMO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593204165 398571673 /nfs/dbraw/zinc/57/16/73/398571673.db2.gz WFZCMNWKPMFCSV-AWEZNQCLSA-N 1 1 321.421 2.792 20 5 DFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000279936485 215251309 /nfs/dbraw/zinc/25/13/09/215251309.db2.gz XBJUGICNOSJGKP-DZGCQCFKSA-N 1 1 308.378 2.599 20 5 DFBDMO C[C@@H](C1CC1)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000042123596 398583589 /nfs/dbraw/zinc/58/35/89/398583589.db2.gz JTNLVAGQIDHNIT-LBPRGKRZSA-N 1 1 317.389 2.821 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000597204606 398590174 /nfs/dbraw/zinc/59/01/74/398590174.db2.gz JRAREBNVLJUMRQ-ZVVFDCPKSA-N 1 1 302.374 2.845 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000092672385 398592845 /nfs/dbraw/zinc/59/28/45/398592845.db2.gz XXMWWGZUXFGFSI-NXEZZACHSA-N 1 1 309.341 2.780 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000590083195 398594855 /nfs/dbraw/zinc/59/48/55/398594855.db2.gz DXXOMLZKJFYPGV-SMDDNHRTSA-N 1 1 300.362 2.895 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000590146699 398600450 /nfs/dbraw/zinc/60/04/50/398600450.db2.gz CZPFKBNGOKMDOV-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000597236489 398600586 /nfs/dbraw/zinc/60/05/86/398600586.db2.gz QRIXUWRSAXKWHT-RNULJOAKSA-N 1 1 304.390 2.948 20 5 DFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072698062 398630685 /nfs/dbraw/zinc/63/06/85/398630685.db2.gz MKPNKHQLDIXPLN-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO COCC[N@@H+](C)CCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593454422 398633870 /nfs/dbraw/zinc/63/38/70/398633870.db2.gz HRGXCYFGOOZYIU-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000177891911 186199722 /nfs/dbraw/zinc/19/97/22/186199722.db2.gz KXWRHVSTEIWNGP-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000177891911 186199724 /nfs/dbraw/zinc/19/97/24/186199724.db2.gz KXWRHVSTEIWNGP-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO CC(=O)c1ccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267839880 186372309 /nfs/dbraw/zinc/37/23/09/186372309.db2.gz ANNRMZKNXGBBJN-GWCFXTLKSA-N 1 1 303.362 2.835 20 5 DFBDMO Cc1ccncc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000269583678 186391632 /nfs/dbraw/zinc/39/16/32/186391632.db2.gz QQIMYQATWGHQLV-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO CC[N@@H+](CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000094135924 398654227 /nfs/dbraw/zinc/65/42/27/398654227.db2.gz RAXFKQRKQXQYHI-UHFFFAOYSA-N 1 1 321.421 2.980 20 5 DFBDMO Cc1ccc(NCCCNC(=O)c2ccc([N+](=O)[O-])s2)[nH+]c1 ZINC000172363549 198085790 /nfs/dbraw/zinc/08/57/90/198085790.db2.gz ZIUFIVDULYZWNK-UHFFFAOYSA-N 1 1 320.374 2.592 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1C ZINC000172594418 198119820 /nfs/dbraw/zinc/11/98/20/198119820.db2.gz WAMKNHIRSINPIO-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO [NH3+]CCCN(Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727693 398677854 /nfs/dbraw/zinc/67/78/54/398677854.db2.gz QQJKSCQXJBAQRA-UHFFFAOYSA-N 1 1 315.373 2.651 20 5 DFBDMO Cc1cccn2cc(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)[nH+]c12 ZINC000102886387 398680439 /nfs/dbraw/zinc/68/04/39/398680439.db2.gz LAVUSWRKGGLYBR-UHFFFAOYSA-N 1 1 324.296 2.507 20 5 DFBDMO C[C@H]([N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000045769598 398683965 /nfs/dbraw/zinc/68/39/65/398683965.db2.gz BUPHWLUDWMYZTL-LBPRGKRZSA-N 1 1 307.394 2.924 20 5 DFBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000046061931 398693659 /nfs/dbraw/zinc/69/36/59/398693659.db2.gz MBVUVPVXFQNNBK-UHFFFAOYSA-N 1 1 320.345 2.715 20 5 DFBDMO C[C@H]1c2cccn2CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046054701 398694029 /nfs/dbraw/zinc/69/40/29/398694029.db2.gz TWJIESMCEVVBQR-ZDUSSCGKSA-N 1 1 301.346 2.852 20 5 DFBDMO C[C@H]1c2cccn2CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046054701 398694032 /nfs/dbraw/zinc/69/40/32/398694032.db2.gz TWJIESMCEVVBQR-ZDUSSCGKSA-N 1 1 301.346 2.852 20 5 DFBDMO C[C@@H]1c2cccn2CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046054700 398694268 /nfs/dbraw/zinc/69/42/68/398694268.db2.gz TWJIESMCEVVBQR-CYBMUJFWSA-N 1 1 301.346 2.852 20 5 DFBDMO C[C@@H]1c2cccn2CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046054700 398694270 /nfs/dbraw/zinc/69/42/70/398694270.db2.gz TWJIESMCEVVBQR-CYBMUJFWSA-N 1 1 301.346 2.852 20 5 DFBDMO Cc1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)sc1C ZINC000331975933 234342896 /nfs/dbraw/zinc/34/28/96/234342896.db2.gz VIBRTKQPHVOAKZ-UHFFFAOYSA-N 1 1 321.406 2.702 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597853402 398704799 /nfs/dbraw/zinc/70/47/99/398704799.db2.gz AAAMBAJDFMGAFO-ZDUSSCGKSA-N 1 1 319.405 2.753 20 5 DFBDMO CCN1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780430 198384878 /nfs/dbraw/zinc/38/48/78/198384878.db2.gz CFXALTJLJMGIQV-PBHICJAKSA-N 1 1 305.422 2.799 20 5 DFBDMO CCN1CC[C@H]([N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174780430 198384880 /nfs/dbraw/zinc/38/48/80/198384880.db2.gz CFXALTJLJMGIQV-PBHICJAKSA-N 1 1 305.422 2.799 20 5 DFBDMO Cc1ccccc1OCCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174830544 198390220 /nfs/dbraw/zinc/39/02/20/198390220.db2.gz GMFWNACHMINGKO-UHFFFAOYSA-N 1 1 318.377 2.501 20 5 DFBDMO Cc1c(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cccc1[N+](=O)[O-] ZINC000590970361 398711121 /nfs/dbraw/zinc/71/11/21/398711121.db2.gz ZYYABWORPFFWCP-GOEBONIOSA-N 1 1 302.374 2.904 20 5 DFBDMO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1csnn1 ZINC000591053384 398719260 /nfs/dbraw/zinc/71/92/60/398719260.db2.gz ISVRXZCCKYGFCE-SNVBAGLBSA-N 1 1 308.363 2.566 20 5 DFBDMO Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000046857922 398720799 /nfs/dbraw/zinc/72/07/99/398720799.db2.gz HOUCWRVUXLKESB-CYBMUJFWSA-N 1 1 305.378 2.507 20 5 DFBDMO COc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000277026762 213247887 /nfs/dbraw/zinc/24/78/87/213247887.db2.gz NPQKEBCTDMMPDE-GXTWGEPZSA-N 1 1 305.378 2.524 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000594066305 398736303 /nfs/dbraw/zinc/73/63/03/398736303.db2.gz VJNNQZQJVUUCHI-GFCCVEGCSA-N 1 1 308.378 2.727 20 5 DFBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594094188 398742613 /nfs/dbraw/zinc/74/26/13/398742613.db2.gz IGFUXJKYNJUGIK-CABCVRRESA-N 1 1 318.377 2.733 20 5 DFBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000081290664 192245573 /nfs/dbraw/zinc/24/55/73/192245573.db2.gz VRFRNHKKUZNWBS-HNNXBMFYSA-N 1 1 317.389 2.589 20 5 DFBDMO Cc1cc(N2CCC3(CC[NH2+]3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591560537 398772444 /nfs/dbraw/zinc/77/24/44/398772444.db2.gz NWNIKRDTCQIKPN-UHFFFAOYSA-N 1 1 312.373 2.784 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517065 192279598 /nfs/dbraw/zinc/27/95/98/192279598.db2.gz XOVWNQSLEPYQBW-OAHLLOKOSA-N 1 1 321.421 2.637 20 5 DFBDMO CCOc1cc(CN2CC[N@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000276940887 213190865 /nfs/dbraw/zinc/19/08/65/213190865.db2.gz SGPJRULZMZFNKU-HNNXBMFYSA-N 1 1 319.405 2.664 20 5 DFBDMO C[N@H+]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000377837919 283213979 /nfs/dbraw/zinc/21/39/79/283213979.db2.gz SPIZBMHDKQSHRQ-INMHGKMJSA-N 1 1 324.384 2.729 20 5 DFBDMO CCOc1cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000276926526 213181347 /nfs/dbraw/zinc/18/13/47/213181347.db2.gz QAKNIFLWPGXDBE-HNNXBMFYSA-N 1 1 321.421 2.767 20 5 DFBDMO CCOc1cc(CN2CC[N@@H+](C)C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000591849397 398794666 /nfs/dbraw/zinc/79/46/66/398794666.db2.gz NMVNDOBFUOXTMO-AWEZNQCLSA-N 1 1 307.394 2.520 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000598342484 398796476 /nfs/dbraw/zinc/79/64/76/398796476.db2.gz NVDJHGUXLVBGNX-AWEZNQCLSA-N 1 1 319.405 2.734 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000598342593 398796046 /nfs/dbraw/zinc/79/60/46/398796046.db2.gz LNXJXWKAKCUPAF-NSHDSACASA-N 1 1 323.418 2.531 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000276914489 213171981 /nfs/dbraw/zinc/17/19/81/213171981.db2.gz NZFUBGHVZOXZRS-TZMCWYRMSA-N 1 1 308.378 2.729 20 5 DFBDMO CCOc1cc(C[N@@H+](C)[C@H](CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000276898911 213162005 /nfs/dbraw/zinc/16/20/05/213162005.db2.gz LGXJEPBHMFVYMO-AWEZNQCLSA-N 1 1 310.394 2.832 20 5 DFBDMO Cc1c(C[NH2+]Cc2cc3n(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000594504634 398811433 /nfs/dbraw/zinc/81/14/33/398811433.db2.gz QFEYVAYRCHVVLZ-UHFFFAOYSA-N 1 1 300.362 2.726 20 5 DFBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000051554749 398824380 /nfs/dbraw/zinc/82/43/80/398824380.db2.gz PPUAHHTYJMWKHO-MRXNPFEDSA-N 1 1 308.378 2.865 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCC(C)C ZINC000053361037 398869698 /nfs/dbraw/zinc/86/96/98/398869698.db2.gz JYTVVLNMVASOKS-GFCCVEGCSA-N 1 1 323.393 2.908 20 5 DFBDMO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594917977 398870906 /nfs/dbraw/zinc/87/09/06/398870906.db2.gz NXDJSQDMVCRMGD-UHFFFAOYSA-N 1 1 314.267 2.637 20 5 DFBDMO COCCCOCC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180725532 199201652 /nfs/dbraw/zinc/20/16/52/199201652.db2.gz NGCQVMJFRBYULM-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000595014790 398891444 /nfs/dbraw/zinc/89/14/44/398891444.db2.gz IERHAOOIGROEOB-WBMJQRKESA-N 1 1 316.357 2.988 20 5 DFBDMO CCOc1cc(N(C)C[C@H]2CCC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000174917825 283395369 /nfs/dbraw/zinc/39/53/69/283395369.db2.gz FENAYYMHKSXXFC-CQSZACIVSA-N 1 1 307.394 2.914 20 5 DFBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000077266081 398894299 /nfs/dbraw/zinc/89/42/99/398894299.db2.gz HQUVGUJKZCAPJQ-UHFFFAOYSA-N 1 1 303.284 2.669 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000470156196 299292243 /nfs/dbraw/zinc/29/22/43/299292243.db2.gz KVEAYSYEYFJNGM-SHAKEMSNSA-N 1 1 318.373 2.882 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CC2)C1 ZINC000186960841 200038360 /nfs/dbraw/zinc/03/83/60/200038360.db2.gz KDHRFZUERWEQDP-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC2(CC2)C1 ZINC000186960841 200038361 /nfs/dbraw/zinc/03/83/61/200038361.db2.gz KDHRFZUERWEQDP-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281116496 216089496 /nfs/dbraw/zinc/08/94/96/216089496.db2.gz XDJHAAPCXGQHQK-INIZCTEOSA-N 1 1 313.357 2.781 20 5 DFBDMO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000599094495 398920910 /nfs/dbraw/zinc/92/09/10/398920910.db2.gz KFVXPVFOQMGNQW-UHFFFAOYSA-N 1 1 311.769 2.523 20 5 DFBDMO Cc1c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000055400900 398928791 /nfs/dbraw/zinc/92/87/91/398928791.db2.gz SHGFGWNYAPBEDQ-STQMWFEESA-N 1 1 319.405 2.753 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000417339831 296012002 /nfs/dbraw/zinc/01/20/02/296012002.db2.gz ONEDOEBZCNFWFI-DZGCQCFKSA-N 1 1 312.373 2.807 20 5 DFBDMO CSCCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000281190367 216141550 /nfs/dbraw/zinc/14/15/50/216141550.db2.gz IIEDPAOOKJSGPC-UHFFFAOYSA-N 1 1 312.391 2.646 20 5 DFBDMO Cc1noc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000595417411 398934370 /nfs/dbraw/zinc/93/43/70/398934370.db2.gz KQWQDTLVHONMHK-UKRRQHHQSA-N 1 1 317.345 2.759 20 5 DFBDMO CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1CCC[N@H+]1CC ZINC000599368312 398964672 /nfs/dbraw/zinc/96/46/72/398964672.db2.gz AQVBEWOHXOSOTL-HNNXBMFYSA-N 1 1 321.421 2.910 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292722876 223218896 /nfs/dbraw/zinc/21/88/96/223218896.db2.gz HOXUXEYPQFGDPL-KRWDZBQOSA-N 1 1 319.405 2.663 20 5 DFBDMO CCC(=O)c1ccc(N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000281428775 216291940 /nfs/dbraw/zinc/29/19/40/216291940.db2.gz JFXJFCFAKDENJL-UHFFFAOYSA-N 1 1 305.378 2.718 20 5 DFBDMO Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000193667854 201099919 /nfs/dbraw/zinc/09/99/19/201099919.db2.gz GBLMMGZJLIVHRV-ZDUSSCGKSA-N 1 1 320.393 2.899 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000078723173 398982756 /nfs/dbraw/zinc/98/27/56/398982756.db2.gz ADVJMYDPOJPHSX-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595591052 398988538 /nfs/dbraw/zinc/98/85/38/398988538.db2.gz CJHSGZCWOJFUKR-MRXNPFEDSA-N 1 1 300.358 2.630 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608347 398997370 /nfs/dbraw/zinc/99/73/70/398997370.db2.gz OAQRDQHBLURVBL-KGLIPLIRSA-N 1 1 315.377 2.578 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000600206699 399005242 /nfs/dbraw/zinc/00/52/42/399005242.db2.gz HIHOVVZHHUXFRC-BWTRYIQHSA-N 1 1 302.374 2.702 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275435940 212330032 /nfs/dbraw/zinc/33/00/32/212330032.db2.gz WAORBAFUXNKNGU-LBPRGKRZSA-N 1 1 304.394 2.707 20 5 DFBDMO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595674572 399029085 /nfs/dbraw/zinc/02/90/85/399029085.db2.gz LNPZHPOFNQDFON-ZUZCIYMTSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595674572 399029087 /nfs/dbraw/zinc/02/90/87/399029087.db2.gz LNPZHPOFNQDFON-ZUZCIYMTSA-N 1 1 314.332 2.856 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600315349 399032688 /nfs/dbraw/zinc/03/26/88/399032688.db2.gz SKXNVUHOZSHFAO-AWEZNQCLSA-N 1 1 319.405 2.673 20 5 DFBDMO C[C@H](c1ccccn1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091703385 193094038 /nfs/dbraw/zinc/09/40/38/193094038.db2.gz HAPBXFOSZWZXDQ-WBMJQRKESA-N 1 1 301.346 2.716 20 5 DFBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092067384 193151708 /nfs/dbraw/zinc/15/17/08/193151708.db2.gz VSLACBQGYFGHJL-HNNXBMFYSA-N 1 1 308.378 2.531 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000599648540 399043439 /nfs/dbraw/zinc/04/34/39/399043439.db2.gz AAPIJKLJZDPKTQ-ARFHVFGLSA-N 1 1 318.373 2.758 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000599662899 399051968 /nfs/dbraw/zinc/05/19/68/399051968.db2.gz XXXFUAXJNUJIGB-YNEHKIRRSA-N 1 1 324.402 2.820 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000599662899 399051975 /nfs/dbraw/zinc/05/19/75/399051975.db2.gz XXXFUAXJNUJIGB-YNEHKIRRSA-N 1 1 324.402 2.820 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000599662891 399052314 /nfs/dbraw/zinc/05/23/14/399052314.db2.gz XXXFUAXJNUJIGB-JHJVBQTASA-N 1 1 324.402 2.820 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000599662891 399052317 /nfs/dbraw/zinc/05/23/17/399052317.db2.gz XXXFUAXJNUJIGB-JHJVBQTASA-N 1 1 324.402 2.820 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc([N+](=O)[O-])c1 ZINC000600470023 399058709 /nfs/dbraw/zinc/05/87/09/399058709.db2.gz DSRNHPVWUFKSOW-OAHLLOKOSA-N 1 1 317.389 2.650 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595748639 399068460 /nfs/dbraw/zinc/06/84/60/399068460.db2.gz BQHITEVLNISHIR-QGZVFWFLSA-N 1 1 320.389 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC23CCOCC3)cc1 ZINC000618318300 399081289 /nfs/dbraw/zinc/08/12/89/399081289.db2.gz PCDWGSHLIAXMLH-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000079770769 399084349 /nfs/dbraw/zinc/08/43/49/399084349.db2.gz FDKTYWCFODYHTK-OAHLLOKOSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305151362 284037076 /nfs/dbraw/zinc/03/70/76/284037076.db2.gz ADUCHSKUFVSTQD-KBPBESRZSA-N 1 1 322.405 2.975 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000595785795 399085557 /nfs/dbraw/zinc/08/55/57/399085557.db2.gz GOWMXIIVEZJJJH-STQMWFEESA-N 1 1 309.366 2.672 20 5 DFBDMO C[N@@H+](CCC(=O)NC1CCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338349719 284103804 /nfs/dbraw/zinc/10/38/04/284103804.db2.gz GLUXIVRIXDNKMZ-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419353065 296136284 /nfs/dbraw/zinc/13/62/84/296136284.db2.gz KSHFXUROMQMXKX-AGIUHOORSA-N 1 1 305.378 2.900 20 5 DFBDMO C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000600708824 399120241 /nfs/dbraw/zinc/12/02/41/399120241.db2.gz GPDZCQOVHCHBLA-UHOFOFEASA-N 1 1 303.406 2.646 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340201957 284160589 /nfs/dbraw/zinc/16/05/89/284160589.db2.gz JGENFKHFPHYYCB-STQMWFEESA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340201957 284160592 /nfs/dbraw/zinc/16/05/92/284160592.db2.gz JGENFKHFPHYYCB-STQMWFEESA-N 1 1 318.295 2.873 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1=CCSC1 ZINC000595888807 399124101 /nfs/dbraw/zinc/12/41/01/399124101.db2.gz OVNRLFFKMUNDSB-NSHDSACASA-N 1 1 321.402 2.527 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000595888807 399124103 /nfs/dbraw/zinc/12/41/03/399124103.db2.gz OVNRLFFKMUNDSB-NSHDSACASA-N 1 1 321.402 2.527 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CC1(C)C ZINC000595910292 399131491 /nfs/dbraw/zinc/13/14/91/399131491.db2.gz STVMGOUGDQMZEZ-NWDGAFQWSA-N 1 1 305.378 2.900 20 5 DFBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000341234498 284255410 /nfs/dbraw/zinc/25/54/10/284255410.db2.gz BIHAYFGLIWCMCG-CQSZACIVSA-N 1 1 312.373 2.873 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CC[NH2+]CC2(F)F)c(F)c1 ZINC000420283924 296169138 /nfs/dbraw/zinc/16/91/38/296169138.db2.gz OKOKWLBLOHGECI-ZETCQYMHSA-N 1 1 307.247 2.530 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264956641 204303586 /nfs/dbraw/zinc/30/35/86/204303586.db2.gz LGZUHAGUSBDGRB-HNNXBMFYSA-N 1 1 319.405 2.518 20 5 DFBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cscn1 ZINC000341515260 284268199 /nfs/dbraw/zinc/26/81/99/284268199.db2.gz NRJFDVBWDIFNAT-SNVBAGLBSA-N 1 1 320.374 2.558 20 5 DFBDMO COc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596091520 399170015 /nfs/dbraw/zinc/17/00/15/399170015.db2.gz MBFSTEBKJYQWAB-SECBINFHSA-N 1 1 311.769 2.905 20 5 DFBDMO C[C@H](CCNc1c([N+](=O)[O-])ncn1C)[N@@H+](C)Cc1ccccc1 ZINC000080694268 399171126 /nfs/dbraw/zinc/17/11/26/399171126.db2.gz QWDIJDKXIFOFOF-CYBMUJFWSA-N 1 1 317.393 2.651 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000596100718 399172575 /nfs/dbraw/zinc/17/25/75/399172575.db2.gz AXRGOAFIWULDFP-DHCNJQPXSA-N 1 1 315.417 2.648 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000596100719 399173213 /nfs/dbraw/zinc/17/32/13/399173213.db2.gz AXRGOAFIWULDFP-DYDBFVOFSA-N 1 1 315.417 2.648 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000282650408 217152845 /nfs/dbraw/zinc/15/28/45/217152845.db2.gz CIFNWUVZOXBEDR-SWLSCSKDSA-N 1 1 310.369 2.963 20 5 DFBDMO C[C@@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342474169 284340285 /nfs/dbraw/zinc/34/02/85/284340285.db2.gz PLVYZMLYNSHCGH-FRRDWIJNSA-N 1 1 305.378 2.645 20 5 DFBDMO CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+]1CC ZINC000614236488 399185542 /nfs/dbraw/zinc/18/55/42/399185542.db2.gz WCWDSGNCCKDTCB-INIZCTEOSA-N 1 1 321.421 2.780 20 5 DFBDMO CCN1CCC[C@H]1C[N@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC000614236488 399185546 /nfs/dbraw/zinc/18/55/46/399185546.db2.gz WCWDSGNCCKDTCB-INIZCTEOSA-N 1 1 321.421 2.780 20 5 DFBDMO CCN1CCC[C@H]1C[N@@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC000614236488 399185551 /nfs/dbraw/zinc/18/55/51/399185551.db2.gz WCWDSGNCCKDTCB-INIZCTEOSA-N 1 1 321.421 2.780 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266256263 205219736 /nfs/dbraw/zinc/21/97/36/205219736.db2.gz OBFNDUGAQBNXJP-SWLSCSKDSA-N 1 1 319.405 2.964 20 5 DFBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420642225 296195150 /nfs/dbraw/zinc/19/51/50/296195150.db2.gz VMBMUNALESAYOM-NSHDSACASA-N 1 1 315.320 2.727 20 5 DFBDMO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000266456613 205361329 /nfs/dbraw/zinc/36/13/29/205361329.db2.gz FKNREVNMHVBWAT-MJBXVCDLSA-N 1 1 319.405 2.515 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000266511656 205399040 /nfs/dbraw/zinc/39/90/40/205399040.db2.gz DTIXIHBDZLYJPY-KGLIPLIRSA-N 1 1 315.377 2.660 20 5 DFBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1O ZINC000282932330 217334656 /nfs/dbraw/zinc/33/46/56/217334656.db2.gz FWXMRYKTRIJFBL-UHFFFAOYSA-N 1 1 316.357 2.984 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064009768 399214817 /nfs/dbraw/zinc/21/48/17/399214817.db2.gz VEITXUXGMJKAES-UHFFFAOYSA-N 1 1 305.422 2.944 20 5 DFBDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266942649 205694743 /nfs/dbraw/zinc/69/47/43/205694743.db2.gz QIDQBPCSLFGKMN-HOCLYGCPSA-N 1 1 314.389 2.744 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccnn1CC1CCC1 ZINC000601101458 399227114 /nfs/dbraw/zinc/22/71/14/399227114.db2.gz RSAZHKTXYRTKIO-UHFFFAOYSA-N 1 1 300.362 2.881 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCc3cn4c(n3)CCCC4)c2c1 ZINC000601110627 399230111 /nfs/dbraw/zinc/23/01/11/399230111.db2.gz IJMDYRVIPNEORD-UHFFFAOYSA-N 1 1 323.356 2.710 20 5 DFBDMO C[C@@H](O)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601115515 399231605 /nfs/dbraw/zinc/23/16/05/399231605.db2.gz HMHOXENKZVZDEW-LLVKDONJSA-N 1 1 301.346 2.740 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601123370 399233423 /nfs/dbraw/zinc/23/34/23/399233423.db2.gz AXTIXVXTLGEBKP-TXEJJXNPSA-N 1 1 323.368 2.727 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601134699 399236918 /nfs/dbraw/zinc/23/69/18/399236918.db2.gz KCJQVWJHRIOLRP-RYUDHWBXSA-N 1 1 301.346 2.883 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1F ZINC000267615596 206174172 /nfs/dbraw/zinc/17/41/72/206174172.db2.gz OXWYNFLDTJQGOI-HIFRSBDPSA-N 1 1 307.369 2.793 20 5 DFBDMO C[C@H]1[C@H](CO)CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601175431 399248443 /nfs/dbraw/zinc/24/84/43/399248443.db2.gz ODSXKNUMRJMESQ-RYUDHWBXSA-N 1 1 301.346 2.740 20 5 DFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184370 399250024 /nfs/dbraw/zinc/25/00/24/399250024.db2.gz LGEAXLTUSSNNFA-KGLIPLIRSA-N 1 1 312.373 2.531 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])cc1F ZINC000421000614 296222582 /nfs/dbraw/zinc/22/25/82/296222582.db2.gz WHGVCLJYUIECOP-GFCCVEGCSA-N 1 1 324.352 2.622 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])cc1F ZINC000421000614 296222583 /nfs/dbraw/zinc/22/25/83/296222583.db2.gz WHGVCLJYUIECOP-GFCCVEGCSA-N 1 1 324.352 2.622 20 5 DFBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1(C)C ZINC000601187919 399251278 /nfs/dbraw/zinc/25/12/78/399251278.db2.gz ZZLXOKRJPIQDMC-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000421014545 296225373 /nfs/dbraw/zinc/22/53/73/296225373.db2.gz KOMSDVWSPQBVQB-DOMZBBRYSA-N 1 1 308.378 2.727 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000421014545 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Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602636465 399498592 /nfs/dbraw/zinc/49/85/92/399498592.db2.gz HNIBMIQZXPKRBS-ZDUSSCGKSA-N 1 1 302.378 2.700 20 5 DFBDMO C[C@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000611707735 399508761 /nfs/dbraw/zinc/50/87/61/399508761.db2.gz KVRRLBYVWGSKKL-WDEREUQCSA-N 1 1 313.361 2.575 20 5 DFBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000611710693 399509573 /nfs/dbraw/zinc/50/95/73/399509573.db2.gz MJCWTMGNZKWPJY-NSHDSACASA-N 1 1 324.344 2.645 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000347369830 285017411 /nfs/dbraw/zinc/01/74/11/285017411.db2.gz UKYMHLRCOBFJQU-QSOAKEGCSA-N 1 1 317.389 2.551 20 5 DFBDMO COc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422936755 296357883 /nfs/dbraw/zinc/35/78/83/296357883.db2.gz BSEBPEVADAHGKN-QLFBSQMISA-N 1 1 319.405 2.614 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602708108 399531479 /nfs/dbraw/zinc/53/14/79/399531479.db2.gz ZGYGVHDJMVDZFJ-GFCCVEGCSA-N 1 1 318.377 2.698 20 5 DFBDMO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602708108 399531483 /nfs/dbraw/zinc/53/14/83/399531483.db2.gz ZGYGVHDJMVDZFJ-GFCCVEGCSA-N 1 1 318.377 2.698 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(SC)CC2)c1 ZINC000602728050 399542421 /nfs/dbraw/zinc/54/24/21/399542421.db2.gz WILAKGLKJQRFBJ-UHFFFAOYSA-N 1 1 324.402 2.709 20 5 DFBDMO CC[N@H+]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611929752 399545040 /nfs/dbraw/zinc/54/50/40/399545040.db2.gz PFKYOFOQEZGDMO-CYBMUJFWSA-N 1 1 314.389 2.982 20 5 DFBDMO CC[N@H+]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611929752 399545045 /nfs/dbraw/zinc/54/50/45/399545045.db2.gz PFKYOFOQEZGDMO-CYBMUJFWSA-N 1 1 314.389 2.982 20 5 DFBDMO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000347632621 285103921 /nfs/dbraw/zinc/10/39/21/285103921.db2.gz DRMOTCSIJAOJBF-JTQLQIEISA-N 1 1 305.309 2.988 20 5 DFBDMO COc1cc(N(C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000120212038 195119076 /nfs/dbraw/zinc/11/90/76/195119076.db2.gz IMPHZZMPAXMWSD-UHFFFAOYSA-N 1 1 322.340 2.774 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N(C)CCCn1cc[nH+]c1C ZINC000120212544 195120469 /nfs/dbraw/zinc/12/04/69/195120469.db2.gz PMGQNORGKSSQOV-UHFFFAOYSA-N 1 1 318.377 2.773 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120246502 195126888 /nfs/dbraw/zinc/12/68/88/195126888.db2.gz BQCWOVIRFUEIIM-MAZHCROVSA-N 1 1 320.389 2.719 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000296668091 285141413 /nfs/dbraw/zinc/14/14/13/285141413.db2.gz ZCENAUPZIYXXNG-JSGCOSHPSA-N 1 1 301.350 2.510 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000602777998 399568164 /nfs/dbraw/zinc/56/81/64/399568164.db2.gz AKUAPHWLYRFHMX-MRXNPFEDSA-N 1 1 314.389 2.664 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000602784714 399572083 /nfs/dbraw/zinc/57/20/83/399572083.db2.gz JJEYAVVPDQKDSY-UHFFFAOYSA-N 1 1 322.409 2.525 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000602784714 399572084 /nfs/dbraw/zinc/57/20/84/399572084.db2.gz JJEYAVVPDQKDSY-UHFFFAOYSA-N 1 1 322.409 2.525 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000602788863 399574147 /nfs/dbraw/zinc/57/41/47/399574147.db2.gz SHCMKJBPOCLIOS-AWEZNQCLSA-N 1 1 318.352 2.728 20 5 DFBDMO Cn1cc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602790841 399575012 /nfs/dbraw/zinc/57/50/12/399575012.db2.gz LBSRKBRKFVYOTA-MRXNPFEDSA-N 1 1 312.373 2.980 20 5 DFBDMO Cn1cc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602790841 399575017 /nfs/dbraw/zinc/57/50/17/399575017.db2.gz LBSRKBRKFVYOTA-MRXNPFEDSA-N 1 1 312.373 2.980 20 5 DFBDMO CC[C@H](c1ccncc1)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602797736 399578581 /nfs/dbraw/zinc/57/85/81/399578581.db2.gz JYJJZDWUEVCZJD-CQSZACIVSA-N 1 1 303.366 2.578 20 5 DFBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602802202 399581307 /nfs/dbraw/zinc/58/13/07/399581307.db2.gz PSRJPMSAFPPIIC-LLVKDONJSA-N 1 1 304.350 2.578 20 5 DFBDMO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000602805343 399582223 /nfs/dbraw/zinc/58/22/23/399582223.db2.gz KIENXUOAVPWYCS-CYBMUJFWSA-N 1 1 310.304 2.847 20 5 DFBDMO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000602805344 399582861 /nfs/dbraw/zinc/58/28/61/399582861.db2.gz KIENXUOAVPWYCS-ZDUSSCGKSA-N 1 1 310.304 2.847 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000612131017 399589260 /nfs/dbraw/zinc/58/92/60/399589260.db2.gz IOHJHETYHUGQJH-ZDUSSCGKSA-N 1 1 308.353 2.982 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000602827036 399591383 /nfs/dbraw/zinc/59/13/83/399591383.db2.gz NKEGQMFIEAHKLU-UHFFFAOYSA-N 1 1 312.373 2.889 20 5 DFBDMO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602859468 399606159 /nfs/dbraw/zinc/60/61/59/399606159.db2.gz BCYBGFGBXAUKPB-LBPRGKRZSA-N 1 1 320.418 2.941 20 5 DFBDMO C[C@@H](CSc1ccccc1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602859468 399606162 /nfs/dbraw/zinc/60/61/62/399606162.db2.gz BCYBGFGBXAUKPB-LBPRGKRZSA-N 1 1 320.418 2.941 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1cc([N+](=O)[O-])ccc1C(C)=O ZINC000360994596 285241978 /nfs/dbraw/zinc/24/19/78/285241978.db2.gz JQZQNNOBIGCIFV-CQSZACIVSA-N 1 1 305.378 2.718 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCC1CCOCC1 ZINC000120667428 195212144 /nfs/dbraw/zinc/21/21/44/195212144.db2.gz QXLLTNYDNIFISJ-UHFFFAOYSA-N 1 1 308.378 2.722 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271612528 209060685 /nfs/dbraw/zinc/06/06/85/209060685.db2.gz CRDQOCGKPOOYJA-OLZOCXBDSA-N 1 1 322.409 2.685 20 5 DFBDMO COc1cccc(C2([NH2+]Cc3cn(C)nc3[N+](=O)[O-])CCC2)c1 ZINC000602902654 399620560 /nfs/dbraw/zinc/62/05/60/399620560.db2.gz KDMQVDJSLMYORV-UHFFFAOYSA-N 1 1 316.361 2.506 20 5 DFBDMO COc1cncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000289554669 221061815 /nfs/dbraw/zinc/06/18/15/221061815.db2.gz XLWPDNQGDCSIPL-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO Cc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000289626071 221111730 /nfs/dbraw/zinc/11/17/30/221111730.db2.gz LSLFWQQALVIGSU-XYPWUTKMSA-N 1 1 303.406 2.960 20 5 DFBDMO COc1c(O)cccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289682923 221151455 /nfs/dbraw/zinc/15/14/55/221151455.db2.gz ZRWFULWGMCFAFV-UHFFFAOYSA-N 1 1 316.357 2.984 20 5 DFBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289735998 221189605 /nfs/dbraw/zinc/18/96/05/221189605.db2.gz JHQNUMPHKBQZMA-HOTGVXAUSA-N 1 1 322.405 2.908 20 5 DFBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1[C@H]1CCCO1 ZINC000289889668 221295505 /nfs/dbraw/zinc/29/55/05/221295505.db2.gz SIAJGDNXCJJCFB-XHSDSOJGSA-N 1 1 320.389 2.518 20 5 DFBDMO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000289911562 221312407 /nfs/dbraw/zinc/31/24/07/221312407.db2.gz UFFVTAPRMZCIMD-HZPDHXFCSA-N 1 1 320.389 2.863 20 5 DFBDMO Cc1nsc(C)c1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962784 399641382 /nfs/dbraw/zinc/64/13/82/399641382.db2.gz OYTZLDQQPVTOIL-OAHLLOKOSA-N 1 1 321.402 2.665 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000602997705 399654388 /nfs/dbraw/zinc/65/43/88/399654388.db2.gz PDRVTSNTSCUJGH-FMKPAKJESA-N 1 1 320.389 2.729 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c(F)c1 ZINC000602997224 399654396 /nfs/dbraw/zinc/65/43/96/399654396.db2.gz GAKQOQXXQOGANT-BMFZPTHFSA-N 1 1 308.353 2.859 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000617322366 399661421 /nfs/dbraw/zinc/66/14/21/399661421.db2.gz MZGZDMCPJBVCII-NSHDSACASA-N 1 1 324.402 2.693 20 5 DFBDMO C[C@]1(C2CCCCC2)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000603029162 399661551 /nfs/dbraw/zinc/66/15/51/399661551.db2.gz KGEATCDHSHYDHA-QGZVFWFLSA-N 1 1 319.405 2.801 20 5 DFBDMO C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000602967478 399642599 /nfs/dbraw/zinc/64/25/99/399642599.db2.gz JFNZICLKYJQKDS-MXWKQRLJSA-N 1 1 320.315 2.843 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@@H]1C1CC1 ZINC000602974504 399644399 /nfs/dbraw/zinc/64/43/99/399644399.db2.gz PFSLRUFHFPONNQ-HZPDHXFCSA-N 1 1 320.389 2.727 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000602988277 399650901 /nfs/dbraw/zinc/65/09/01/399650901.db2.gz FNKFLKCUNYFJPW-UHFFFAOYSA-N 1 1 320.393 2.770 20 5 DFBDMO CC[NH+](CC)Cc1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185551 399704918 /nfs/dbraw/zinc/70/49/18/399704918.db2.gz IKSKJEOKOCVKSK-GFCCVEGCSA-N 1 1 303.366 2.637 20 5 DFBDMO CC[NH+](CC)Cc1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218903 399713553 /nfs/dbraw/zinc/71/35/53/399713553.db2.gz NLBOVHNQBMWYSS-LBPRGKRZSA-N 1 1 303.366 2.637 20 5 DFBDMO CC[N@@H+]1C[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)[C@@H](C)C1 ZINC000612790171 399724626 /nfs/dbraw/zinc/72/46/26/399724626.db2.gz ADMHZKISUMIGRV-CABZTGNLSA-N 1 1 315.320 2.948 20 5 DFBDMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000121830030 195357078 /nfs/dbraw/zinc/35/70/78/195357078.db2.gz LWVWMPTYZPKWKY-ZHRRBRCNSA-N 1 1 318.398 2.804 20 5 DFBDMO O=C(CC[N@H+]1CCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000123315152 195567912 /nfs/dbraw/zinc/56/79/12/195567912.db2.gz GZMASERURPQKKD-UHFFFAOYSA-N 1 1 303.362 2.799 20 5 DFBDMO C[NH+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000298618714 132071320 /nfs/dbraw/zinc/07/13/20/132071320.db2.gz WRAGNDXRWJYXEG-UHFFFAOYSA-N 1 1 305.381 2.776 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000164188505 132131953 /nfs/dbraw/zinc/13/19/53/132131953.db2.gz QTLVGBDUEYUEDN-WFASDCNBSA-N 1 1 320.393 2.753 20 5 DFBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000613188090 399814045 /nfs/dbraw/zinc/81/40/45/399814045.db2.gz IZJTXVBXOUILTN-GFCCVEGCSA-N 1 1 318.402 2.935 20 5 DFBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000038582124 134706872 /nfs/dbraw/zinc/70/68/72/134706872.db2.gz GZDGYWAICHLTJW-VMPITWQZSA-N 1 1 324.384 2.825 20 5 DFBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000271627860 209073164 /nfs/dbraw/zinc/07/31/64/209073164.db2.gz YMSPYBJNZXLZQY-VXGBXAGGSA-N 1 1 321.377 2.805 20 5 DFBDMO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000292720266 543016597 /nfs/dbraw/zinc/01/65/97/543016597.db2.gz HLUCXERSFBJMLC-TXEJJXNPSA-N 1 1 300.362 2.672 20 5 DFBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@H](Nc1cccnc1[N+](=O)[O-])C2 ZINC000604551075 399854688 /nfs/dbraw/zinc/85/46/88/399854688.db2.gz WHNQXOOMVBJKPO-NSHDSACASA-N 1 1 315.377 2.911 20 5 DFBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000604558079 399856518 /nfs/dbraw/zinc/85/65/18/399856518.db2.gz XEQHYRUIGTVQSX-CYBMUJFWSA-N 1 1 300.362 2.708 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000174822740 145391983 /nfs/dbraw/zinc/39/19/83/145391983.db2.gz HYTYUQYPGURMMN-HNNXBMFYSA-N 1 1 318.352 2.638 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000245849147 146104627 /nfs/dbraw/zinc/10/46/27/146104627.db2.gz CPYIKVIHNSSXEN-NWDGAFQWSA-N 1 1 321.377 2.520 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000245849147 146104630 /nfs/dbraw/zinc/10/46/30/146104630.db2.gz CPYIKVIHNSSXEN-NWDGAFQWSA-N 1 1 321.377 2.520 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000249004820 146182446 /nfs/dbraw/zinc/18/24/46/146182446.db2.gz SFOWWWSBVXPQOM-TZMCWYRMSA-N 1 1 318.377 2.604 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261718292 146265016 /nfs/dbraw/zinc/26/50/16/146265016.db2.gz LSZJIKXASGMBTQ-INIZCTEOSA-N 1 1 319.405 2.567 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000354420319 147029566 /nfs/dbraw/zinc/02/95/66/147029566.db2.gz FBXVPASGNZMXIY-ZIAGYGMSSA-N 1 1 319.405 2.848 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000354420313 147030351 /nfs/dbraw/zinc/03/03/51/147030351.db2.gz FBXVPASGNZMXIY-KGLIPLIRSA-N 1 1 319.405 2.848 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000354435473 147034659 /nfs/dbraw/zinc/03/46/59/147034659.db2.gz PGTLWKDGHKXPNX-UONOGXRCSA-N 1 1 319.405 2.848 20 5 DFBDMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC(O)C1 ZINC000355364000 147284846 /nfs/dbraw/zinc/28/48/46/147284846.db2.gz DJVSGTGOVKDKPM-UHFFFAOYSA-N 1 1 302.330 2.810 20 5 DFBDMO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000355400751 147300070 /nfs/dbraw/zinc/30/00/70/147300070.db2.gz UPSBPRQBPAGOHF-UHFFFAOYSA-N 1 1 314.276 2.942 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)cc1 ZINC000349896282 285966475 /nfs/dbraw/zinc/96/64/75/285966475.db2.gz QWBGPSYGPJKQKP-LLVKDONJSA-N 1 1 311.301 2.571 20 5 DFBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000355588423 147374723 /nfs/dbraw/zinc/37/47/23/147374723.db2.gz WEDNENMASKBJBI-LBPRGKRZSA-N 1 1 324.377 2.623 20 5 DFBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000357585604 148048746 /nfs/dbraw/zinc/04/87/46/148048746.db2.gz QQJCTVDSHRPREG-NSHDSACASA-N 1 1 323.780 2.523 20 5 DFBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000357918177 148175607 /nfs/dbraw/zinc/17/56/07/148175607.db2.gz BQPOPIYSWNWXGD-ZIAGYGMSSA-N 1 1 324.425 2.707 20 5 DFBDMO C[C@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000358170654 148269796 /nfs/dbraw/zinc/26/97/96/148269796.db2.gz FDNCIJHNOLFASB-HOCLYGCPSA-N 1 1 305.422 2.990 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3CCCc4[nH+]ccn43)n2)c1 ZINC000350401564 286035666 /nfs/dbraw/zinc/03/56/66/286035666.db2.gz SWQNAJJSOYBHKI-GFCCVEGCSA-N 1 1 311.301 2.767 20 5 DFBDMO Cc1ccccc1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000350685539 286074053 /nfs/dbraw/zinc/07/40/53/286074053.db2.gz QDRCGNYOZNMPSD-UHFFFAOYSA-N 1 1 300.362 2.764 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361050188 149017497 /nfs/dbraw/zinc/01/74/97/149017497.db2.gz ICULIXGLFYYBDA-HSBHDXMMSA-N 1 1 312.316 2.558 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361050188 149017499 /nfs/dbraw/zinc/01/74/99/149017499.db2.gz ICULIXGLFYYBDA-HSBHDXMMSA-N 1 1 312.316 2.558 20 5 DFBDMO Cc1ccncc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361412934 149108586 /nfs/dbraw/zinc/10/85/86/149108586.db2.gz NYBRTRUQBXXMGO-UHFFFAOYSA-N 1 1 301.346 2.809 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000361471723 149124007 /nfs/dbraw/zinc/12/40/07/149124007.db2.gz UACYLMGUJBTLKZ-MRXNPFEDSA-N 1 1 313.357 2.643 20 5 DFBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC1CCC1 ZINC000361482950 149127852 /nfs/dbraw/zinc/12/78/52/149127852.db2.gz ZFPDRZSTMFBISE-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000361857226 149238314 /nfs/dbraw/zinc/23/83/14/149238314.db2.gz ZGHKYZWOKTVDFJ-OLZOCXBDSA-N 1 1 320.393 2.816 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000371419512 150043423 /nfs/dbraw/zinc/04/34/23/150043423.db2.gz MXOURQZCLNCPNY-CYBMUJFWSA-N 1 1 306.362 2.986 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCn2cc[nH+]c21 ZINC000372192230 150148048 /nfs/dbraw/zinc/14/80/48/150148048.db2.gz LYGXESFAHSOTBB-LBPRGKRZSA-N 1 1 316.361 2.927 20 5 DFBDMO CCOc1cccc(N[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000372947276 150206577 /nfs/dbraw/zinc/20/65/77/150206577.db2.gz ADOHXDBRVQBIOM-NSHDSACASA-N 1 1 302.334 2.617 20 5 DFBDMO CN(C[C@@H]1CCn2cc[nH+]c2C1)c1ncc([N+](=O)[O-])cc1Cl ZINC000373048240 150221088 /nfs/dbraw/zinc/22/10/88/150221088.db2.gz USXLGSXBKFHACI-SNVBAGLBSA-N 1 1 321.768 2.539 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351633060 286176452 /nfs/dbraw/zinc/17/64/52/286176452.db2.gz YEXAULSKWFFBBS-TZMCWYRMSA-N 1 1 308.378 2.586 20 5 DFBDMO O=C(CC[N@H+]1CCC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000374292730 150337558 /nfs/dbraw/zinc/33/75/58/150337558.db2.gz OGTOKIAHJVZWNI-AWEZNQCLSA-N 1 1 303.362 2.798 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000351751884 286210090 /nfs/dbraw/zinc/21/00/90/286210090.db2.gz DTDKOWHHELZAOW-MNOVXSKESA-N 1 1 312.316 2.731 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000351751884 286210091 /nfs/dbraw/zinc/21/00/91/286210091.db2.gz DTDKOWHHELZAOW-MNOVXSKESA-N 1 1 312.316 2.731 20 5 DFBDMO CN1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)c2ccc[nH+]c21 ZINC000351738560 286206901 /nfs/dbraw/zinc/20/69/01/286206901.db2.gz XHXXCACSCGEZSS-UHFFFAOYSA-N 1 1 320.299 2.724 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000373767840 286249491 /nfs/dbraw/zinc/24/94/91/286249491.db2.gz CKBHSJSXEMRPIJ-CABCVRRESA-N 1 1 306.362 2.747 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2CCCO)c(F)c1 ZINC000352007282 286268174 /nfs/dbraw/zinc/26/81/74/286268174.db2.gz XFVWPQMZCVJIBK-JTQLQIEISA-N 1 1 300.305 2.610 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2CCCO)c(F)c1 ZINC000352007282 286268175 /nfs/dbraw/zinc/26/81/75/286268175.db2.gz XFVWPQMZCVJIBK-JTQLQIEISA-N 1 1 300.305 2.610 20 5 DFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359568 286353023 /nfs/dbraw/zinc/35/30/23/286353023.db2.gz HXOQLPARODIWQU-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000178781460 292288900 /nfs/dbraw/zinc/28/89/00/292288900.db2.gz ASBVDWGSGIXGQI-HIFRSBDPSA-N 1 1 316.405 2.751 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn3ccccc23)c(F)c1 ZINC000353034247 286535052 /nfs/dbraw/zinc/53/50/52/286535052.db2.gz AHTGHRDDXLRSIR-UHFFFAOYSA-N 1 1 300.293 2.671 20 5 DFBDMO COc1cccc(N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000185489865 158060867 /nfs/dbraw/zinc/06/08/67/158060867.db2.gz GOVGEMHLOFJHGP-ZDUSSCGKSA-N 1 1 307.394 2.914 20 5 DFBDMO COc1cccc(N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000185489844 158060903 /nfs/dbraw/zinc/06/09/03/158060903.db2.gz GOVGEMHLOFJHGP-CYBMUJFWSA-N 1 1 307.394 2.914 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC[N@@H+](C)C1CC1 ZINC000186765464 158071972 /nfs/dbraw/zinc/07/19/72/158071972.db2.gz DDRYIHNRYMHOIQ-UHFFFAOYSA-N 1 1 321.421 2.908 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000246353530 158086890 /nfs/dbraw/zinc/08/68/90/158086890.db2.gz WKYWHUZRTMQWJF-HOTGVXAUSA-N 1 1 316.361 2.579 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000246946742 158106537 /nfs/dbraw/zinc/10/65/37/158106537.db2.gz CBYILABZBZOTQU-CZUORRHYSA-N 1 1 300.362 2.874 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000246946763 158107126 /nfs/dbraw/zinc/10/71/26/158107126.db2.gz CBYILABZBZOTQU-XJKSGUPXSA-N 1 1 300.362 2.874 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000248409863 158173512 /nfs/dbraw/zinc/17/35/12/158173512.db2.gz GKCSNLSTQOMNRW-HOTGVXAUSA-N 1 1 303.406 2.962 20 5 DFBDMO C[C@H](C1CC1)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248456340 158177938 /nfs/dbraw/zinc/17/79/38/158177938.db2.gz LNVKBRLMHDRICD-IUODEOHRSA-N 1 1 320.389 2.597 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252566859 158205854 /nfs/dbraw/zinc/20/58/54/158205854.db2.gz ZWRAAFGVBNHGDW-RYUDHWBXSA-N 1 1 311.769 2.523 20 5 DFBDMO COC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000265830613 158207936 /nfs/dbraw/zinc/20/79/36/158207936.db2.gz UIPULGYGBUOFAK-ZDUSSCGKSA-N 1 1 308.378 2.850 20 5 DFBDMO CCOc1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301558364 158220108 /nfs/dbraw/zinc/22/01/08/158220108.db2.gz XIEKBJKCLSCMNH-OLZOCXBDSA-N 1 1 323.393 2.515 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C ZINC000128832561 195996052 /nfs/dbraw/zinc/99/60/52/195996052.db2.gz ZCYPEPUDWTXCCY-GHMZBOCLSA-N 1 1 309.341 2.793 20 5 DFBDMO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271630581 209074846 /nfs/dbraw/zinc/07/48/46/209074846.db2.gz OWUVBHGNCFGMFY-CHWSQXEVSA-N 1 1 307.394 2.940 20 5 DFBDMO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000133002803 196303963 /nfs/dbraw/zinc/30/39/63/196303963.db2.gz DGFUYNRTDKHREZ-CYBMUJFWSA-N 1 1 323.393 2.515 20 5 DFBDMO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000133002803 196303965 /nfs/dbraw/zinc/30/39/65/196303965.db2.gz DGFUYNRTDKHREZ-CYBMUJFWSA-N 1 1 323.393 2.515 20 5 DFBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](C)OC ZINC000291348725 222330823 /nfs/dbraw/zinc/33/08/23/222330823.db2.gz XPKRFXABFZGXRF-NSHDSACASA-N 1 1 320.349 2.502 20 5 DFBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](C)OC ZINC000291348725 222330825 /nfs/dbraw/zinc/33/08/25/222330825.db2.gz XPKRFXABFZGXRF-NSHDSACASA-N 1 1 320.349 2.502 20 5 DFBDMO CC[N@@H+](C[C@@H](C)OC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000291327759 222316241 /nfs/dbraw/zinc/31/62/41/222316241.db2.gz VJGBOQZDDXKRRN-YPMHNXCESA-N 1 1 323.393 2.587 20 5 DFBDMO O=[N+]([O-])c1ccc(NCCc2cn3c([nH+]2)CCCC3)c(F)c1 ZINC000301111577 229506491 /nfs/dbraw/zinc/50/64/91/229506491.db2.gz YZPJYHVMSCEURW-UHFFFAOYSA-N 1 1 304.325 2.921 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C)CC1 ZINC000068837862 425922718 /nfs/dbraw/zinc/92/27/18/425922718.db2.gz MCMHUYVXQPKBML-LBPRGKRZSA-N 1 1 305.378 2.964 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007785796 425652420 /nfs/dbraw/zinc/65/24/20/425652420.db2.gz CEQSITKQXDLMOR-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007785796 425652422 /nfs/dbraw/zinc/65/24/22/425652422.db2.gz CEQSITKQXDLMOR-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO C[C@@H]([NH2+][C@H](C)c1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000194711130 268113403 /nfs/dbraw/zinc/11/34/03/268113403.db2.gz YXPGRDIBSBDYIJ-VXGBXAGGSA-N 1 1 314.345 2.668 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000245454758 268164343 /nfs/dbraw/zinc/16/43/43/268164343.db2.gz SERXLNWZNRTMSB-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278880311 268268311 /nfs/dbraw/zinc/26/83/11/268268311.db2.gz TUFJUSCOHWGNMT-GXFFZTMASA-N 1 1 318.295 2.903 20 5 DFBDMO CCOc1cccc(NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000317142462 268345409 /nfs/dbraw/zinc/34/54/09/268345409.db2.gz HPYQKGCXIMBYSO-GFCCVEGCSA-N 1 1 305.378 2.890 20 5 DFBDMO COCCCN1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159194081 425956868 /nfs/dbraw/zinc/95/68/68/425956868.db2.gz XHUOKXGOHYDUKR-CQSZACIVSA-N 1 1 321.421 2.746 20 5 DFBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000125179385 425957422 /nfs/dbraw/zinc/95/74/22/425957422.db2.gz DZMMBPBCNIMVDC-VXGBXAGGSA-N 1 1 305.378 2.704 20 5 DFBDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000111253526 426041380 /nfs/dbraw/zinc/04/13/80/426041380.db2.gz KTFWSJHAIPYXHN-LLVKDONJSA-N 1 1 309.366 2.520 20 5 DFBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1c([N+](=O)[O-])ncn1C ZINC000071954794 426006690 /nfs/dbraw/zinc/00/66/90/426006690.db2.gz YPSXFMAKXOTDBD-UHFFFAOYSA-N 1 1 317.393 2.781 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000112702371 426088616 /nfs/dbraw/zinc/08/86/16/426088616.db2.gz FVDJJIYJFQZPII-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000112702371 426088619 /nfs/dbraw/zinc/08/86/19/426088619.db2.gz FVDJJIYJFQZPII-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO CC1(C)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000076014685 426094152 /nfs/dbraw/zinc/09/41/52/426094152.db2.gz SQTRKRVDMMXKIA-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000077320964 426127953 /nfs/dbraw/zinc/12/79/53/426127953.db2.gz DNROTCUYPHWGDT-CHWSQXEVSA-N 1 1 317.389 2.604 20 5 DFBDMO Cc1ccc([C@@H](C)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000168294883 426134339 /nfs/dbraw/zinc/13/43/39/426134339.db2.gz QBDGHSMPCBDUHR-CQSZACIVSA-N 1 1 321.421 2.665 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170709408 426145951 /nfs/dbraw/zinc/14/59/51/426145951.db2.gz IPTNIYHHBDRNCB-LLVKDONJSA-N 1 1 320.393 2.622 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000170917183 426159327 /nfs/dbraw/zinc/15/93/27/426159327.db2.gz WBHKHTWOTFPWOI-ZDUSSCGKSA-N 1 1 308.378 2.993 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@@H](C)C1 ZINC000170917183 426159330 /nfs/dbraw/zinc/15/93/30/426159330.db2.gz WBHKHTWOTFPWOI-ZDUSSCGKSA-N 1 1 308.378 2.993 20 5 DFBDMO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171269301 426180293 /nfs/dbraw/zinc/18/02/93/426180293.db2.gz FHBRXXSIFHDCCZ-MJBXVCDLSA-N 1 1 319.405 2.515 20 5 DFBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000135582187 426223747 /nfs/dbraw/zinc/22/37/47/426223747.db2.gz PPRXRCREZJKVSN-HNNXBMFYSA-N 1 1 300.362 2.838 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000175018790 426274664 /nfs/dbraw/zinc/27/46/64/426274664.db2.gz MBEVIESOCJBIFB-DZGCQCFKSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000175018778 426274673 /nfs/dbraw/zinc/27/46/73/426274673.db2.gz MBEVIESOCJBIFB-UKRRQHHQSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[C@H](C)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341021 426211634 /nfs/dbraw/zinc/21/16/34/426211634.db2.gz DMECEFCOSUIJFQ-LBPRGKRZSA-N 1 1 321.377 2.871 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC2)cccc1[N+](=O)[O-] ZINC000135303687 426213202 /nfs/dbraw/zinc/21/32/02/426213202.db2.gz ADWUREDIWUDKCE-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000151615686 426303857 /nfs/dbraw/zinc/30/38/57/426303857.db2.gz CMZAOAWIHNSBIY-DOMZBBRYSA-N 1 1 318.377 2.543 20 5 DFBDMO CC[C@H](C)[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090526578 426327097 /nfs/dbraw/zinc/32/70/97/426327097.db2.gz KERRFTIDGWHJDI-STQMWFEESA-N 1 1 307.394 2.656 20 5 DFBDMO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000090851289 426332210 /nfs/dbraw/zinc/33/22/10/426332210.db2.gz KUAHPQWXXKQMAT-GFCCVEGCSA-N 1 1 300.362 2.907 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119325575 426279429 /nfs/dbraw/zinc/27/94/29/426279429.db2.gz JNDLXLJNXNKYKT-KBPBESRZSA-N 1 1 315.377 2.660 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000122950555 426405161 /nfs/dbraw/zinc/40/51/61/426405161.db2.gz KRJQSOHKQHUVQR-ZDUSSCGKSA-N 1 1 315.377 2.899 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000152547670 426345223 /nfs/dbraw/zinc/34/52/23/426345223.db2.gz FWAKZYXVKBLGLM-MRXNPFEDSA-N 1 1 313.357 2.952 20 5 DFBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000152538754 426345802 /nfs/dbraw/zinc/34/58/02/426345802.db2.gz HOZHWDLWIXREHG-ZDUSSCGKSA-N 1 1 317.389 2.684 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2CCc2ccccc2)n1 ZINC000176212321 426361345 /nfs/dbraw/zinc/36/13/45/426361345.db2.gz HJQIZJQTVKFDFN-MRXNPFEDSA-N 1 1 314.389 2.889 20 5 DFBDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246387 426363266 /nfs/dbraw/zinc/36/32/66/426363266.db2.gz PZBCVCNUPJMACR-DZGCQCFKSA-N 1 1 300.362 2.669 20 5 DFBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000176261765 426364095 /nfs/dbraw/zinc/36/40/95/426364095.db2.gz LCYHOYQBELQKKV-NSHDSACASA-N 1 1 323.422 2.812 20 5 DFBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176249914 426364231 /nfs/dbraw/zinc/36/42/31/426364231.db2.gz MSCNMZOUWRECNT-GXTWGEPZSA-N 1 1 318.352 2.808 20 5 DFBDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176249896 426364666 /nfs/dbraw/zinc/36/46/66/426364666.db2.gz MSCNMZOUWRECNT-TZMCWYRMSA-N 1 1 318.352 2.808 20 5 DFBDMO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153286272 426378973 /nfs/dbraw/zinc/37/89/73/426378973.db2.gz XUOZVNKJVZBZDW-KRWDZBQOSA-N 1 1 322.405 2.593 20 5 DFBDMO COCCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123010758 426409607 /nfs/dbraw/zinc/40/96/07/426409607.db2.gz GQXKYMKCXSQXAB-UHFFFAOYSA-N 1 1 317.183 2.826 20 5 DFBDMO C[C@@H](c1ccccn1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000177030269 426435796 /nfs/dbraw/zinc/43/57/96/426435796.db2.gz RTSMYWLGADAIHZ-AWEZNQCLSA-N 1 1 312.373 2.873 20 5 DFBDMO COc1ccc(OCC[N@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000123467164 426436079 /nfs/dbraw/zinc/43/60/79/426436079.db2.gz WLGZQUBTDZQLIP-UHFFFAOYSA-N 1 1 306.362 2.858 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000154430243 426440486 /nfs/dbraw/zinc/44/04/86/426440486.db2.gz YCDXUYRBGWRNTK-JYJNAYRXSA-N 1 1 322.430 2.988 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341061850 269036781 /nfs/dbraw/zinc/03/67/81/269036781.db2.gz OYOKSWARCPDNSJ-OKILXGFUSA-N 1 1 319.405 2.896 20 5 DFBDMO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000123799257 426453623 /nfs/dbraw/zinc/45/36/23/426453623.db2.gz VAGMUPKXEZGCQF-LBPRGKRZSA-N 1 1 320.418 2.845 20 5 DFBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000123799257 426453625 /nfs/dbraw/zinc/45/36/25/426453625.db2.gz VAGMUPKXEZGCQF-LBPRGKRZSA-N 1 1 320.418 2.845 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000177245516 426459359 /nfs/dbraw/zinc/45/93/59/426459359.db2.gz AIDJVTRODJOKBM-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000097473214 426467792 /nfs/dbraw/zinc/46/77/92/426467792.db2.gz XMBWNABQLBLWOJ-OAHLLOKOSA-N 1 1 307.394 2.672 20 5 DFBDMO C[NH+](C)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000195324388 426515771 /nfs/dbraw/zinc/51/57/71/426515771.db2.gz IZNQQEHBAAHAAA-MRXNPFEDSA-N 1 1 313.357 2.514 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000177814307 426525420 /nfs/dbraw/zinc/52/54/20/426525420.db2.gz UAYHDVRPHDCDPZ-CABCVRRESA-N 1 1 317.389 2.602 20 5 DFBDMO CC[C@H](C)C[N@@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177849090 426529671 /nfs/dbraw/zinc/52/96/71/426529671.db2.gz JECIJRYJIBUNSO-ZDUSSCGKSA-N 1 1 307.394 2.926 20 5 DFBDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177855488 426530996 /nfs/dbraw/zinc/53/09/96/426530996.db2.gz SNXPWHQNGCRHAJ-LBPRGKRZSA-N 1 1 323.393 2.910 20 5 DFBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177874932 426532567 /nfs/dbraw/zinc/53/25/67/426532567.db2.gz YAJIBZLSRJLNHD-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO CO[C@@]1(C)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000280271702 426536388 /nfs/dbraw/zinc/53/63/88/426536388.db2.gz CUMRQLIJNZXWHN-INIZCTEOSA-N 1 1 308.378 2.865 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272534451 426550889 /nfs/dbraw/zinc/55/08/89/426550889.db2.gz BLDBADNZQHSXAK-IAQYHMDHSA-N 1 1 309.797 2.774 20 5 DFBDMO Cc1ccc([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c(C)c1 ZINC000280449734 426577081 /nfs/dbraw/zinc/57/70/81/426577081.db2.gz NNNCZZVFQIDSOM-HNNXBMFYSA-N 1 1 314.389 2.898 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000264950727 426579709 /nfs/dbraw/zinc/57/97/09/426579709.db2.gz LBKNFKFJOIIASF-STQMWFEESA-N 1 1 312.373 2.816 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000280456107 426579899 /nfs/dbraw/zinc/57/98/99/426579899.db2.gz LRPZUURCNFBWQD-CQSZACIVSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000280456107 426579902 /nfs/dbraw/zinc/57/99/02/426579902.db2.gz LRPZUURCNFBWQD-CQSZACIVSA-N 1 1 320.389 2.673 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000222332902 426583554 /nfs/dbraw/zinc/58/35/54/426583554.db2.gz SREAUNDUOMGXIN-OAHLLOKOSA-N 1 1 320.389 2.943 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000222332902 426583557 /nfs/dbraw/zinc/58/35/57/426583557.db2.gz SREAUNDUOMGXIN-OAHLLOKOSA-N 1 1 320.389 2.943 20 5 DFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1cccc(O)c1 ZINC000178375403 426618444 /nfs/dbraw/zinc/61/84/44/426618444.db2.gz IHSYOXIWKMRAQH-GFCCVEGCSA-N 1 1 304.350 2.580 20 5 DFBDMO CN(C)c1ncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289340703 426631787 /nfs/dbraw/zinc/63/17/87/426631787.db2.gz HVIFSBGWYNXNQM-UHFFFAOYSA-N 1 1 320.418 2.792 20 5 DFBDMO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000289385700 426642982 /nfs/dbraw/zinc/64/29/82/426642982.db2.gz CAXCTKYODLAREZ-CVEARBPZSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000289385700 426642988 /nfs/dbraw/zinc/64/29/88/426642988.db2.gz CAXCTKYODLAREZ-CVEARBPZSA-N 1 1 320.389 2.993 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000178528131 426647278 /nfs/dbraw/zinc/64/72/78/426647278.db2.gz RUUUBIOGVJKNNH-CYBMUJFWSA-N 1 1 306.362 2.758 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273365802 426651335 /nfs/dbraw/zinc/65/13/35/426651335.db2.gz FYUFJZAHXVOSDQ-YGRLFVJLSA-N 1 1 324.356 2.538 20 5 DFBDMO CCC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000280646595 426625392 /nfs/dbraw/zinc/62/53/92/426625392.db2.gz DZJLCEBFJMQSKY-OCCSQVGLSA-N 1 1 319.405 2.964 20 5 DFBDMO CCC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000280646593 426625538 /nfs/dbraw/zinc/62/55/38/426625538.db2.gz DZJLCEBFJMQSKY-JSGCOSHPSA-N 1 1 319.405 2.964 20 5 DFBDMO COc1cc(C[NH2+][C@H](C)CF)c([N+](=O)[O-])cc1OCC(F)F ZINC000290083960 426688913 /nfs/dbraw/zinc/68/89/13/426688913.db2.gz GQJMIGUXSFMAHK-MRVPVSSYSA-N 1 1 322.283 2.695 20 5 DFBDMO Cn1cncc1CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000290186702 426711678 /nfs/dbraw/zinc/71/16/78/426711678.db2.gz ZRTGRBLCSPHTDA-UHFFFAOYSA-N 1 1 308.769 2.656 20 5 DFBDMO Cn1cncc1CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000290186702 426711685 /nfs/dbraw/zinc/71/16/85/426711685.db2.gz ZRTGRBLCSPHTDA-UHFFFAOYSA-N 1 1 308.769 2.656 20 5 DFBDMO C[C@H](O)c1ncc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000290206814 426716659 /nfs/dbraw/zinc/71/66/59/426716659.db2.gz DNGIKONKBSRHFR-UWVGGRQHSA-N 1 1 307.375 2.955 20 5 DFBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000290120155 426696588 /nfs/dbraw/zinc/69/65/88/426696588.db2.gz IUGASNUHANYXNM-HNNXBMFYSA-N 1 1 321.377 2.614 20 5 DFBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000290120168 426696950 /nfs/dbraw/zinc/69/69/50/426696950.db2.gz IUGASNUHANYXNM-OAHLLOKOSA-N 1 1 321.377 2.614 20 5 DFBDMO Cc1nccn1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000290457960 426768740 /nfs/dbraw/zinc/76/87/40/426768740.db2.gz MUPBQACFJPVNLN-UHFFFAOYSA-N 1 1 302.378 2.930 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000274446590 426770413 /nfs/dbraw/zinc/77/04/13/426770413.db2.gz HUOBFMJUXPGIAK-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266741795 426771685 /nfs/dbraw/zinc/77/16/85/426771685.db2.gz NWAPWZUGZHXARP-AWEZNQCLSA-N 1 1 319.405 2.846 20 5 DFBDMO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266741795 426771689 /nfs/dbraw/zinc/77/16/89/426771689.db2.gz NWAPWZUGZHXARP-AWEZNQCLSA-N 1 1 319.405 2.846 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000266868159 426785329 /nfs/dbraw/zinc/78/53/29/426785329.db2.gz ZRDMVPAIUHLAHJ-ZDUSSCGKSA-N 1 1 315.377 2.899 20 5 DFBDMO CSc1cccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000188125412 426724847 /nfs/dbraw/zinc/72/48/47/426724847.db2.gz UTAHDNDCLGDXPW-JTQLQIEISA-N 1 1 323.418 2.529 20 5 DFBDMO COc1cc(C[N@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1F ZINC000274291149 426736285 /nfs/dbraw/zinc/73/62/85/426736285.db2.gz GQJDTZZYMZDKLS-UHFFFAOYSA-N 1 1 324.352 2.745 20 5 DFBDMO COCCC[N@@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188925026 426801147 /nfs/dbraw/zinc/80/11/47/426801147.db2.gz PSMQXOWYGQGERP-UHFFFAOYSA-N 1 1 310.394 2.549 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000290607334 426803217 /nfs/dbraw/zinc/80/32/17/426803217.db2.gz WHEJJFNEMHOEPP-RDJZCZTQSA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000290607334 426803221 /nfs/dbraw/zinc/80/32/21/426803221.db2.gz WHEJJFNEMHOEPP-RDJZCZTQSA-N 1 1 303.406 2.819 20 5 DFBDMO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000246255166 426814740 /nfs/dbraw/zinc/81/47/40/426814740.db2.gz PXGVGWGUVILAPH-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc(C[NH+]2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179865299 426820891 /nfs/dbraw/zinc/82/08/91/426820891.db2.gz UPPXTTAPWRVDTK-UHFFFAOYSA-N 1 1 316.304 2.843 20 5 DFBDMO C[N@@H+](CCNc1ncccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000267246598 426853143 /nfs/dbraw/zinc/85/31/43/426853143.db2.gz YRENBQWRVHFFPN-UHFFFAOYSA-N 1 1 304.325 2.673 20 5 DFBDMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000267252728 426855665 /nfs/dbraw/zinc/85/56/65/426855665.db2.gz USZQJKULXUDZPE-CYBMUJFWSA-N 1 1 304.325 2.908 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000268128682 426922089 /nfs/dbraw/zinc/92/20/89/426922089.db2.gz BCASTYJQEPFIRE-NSHDSACASA-N 1 1 311.357 2.521 20 5 DFBDMO Cc1sc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295243433 426874831 /nfs/dbraw/zinc/87/48/31/426874831.db2.gz DESHAPRRFPBFLF-SNVBAGLBSA-N 1 1 323.418 2.521 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000267594117 426883878 /nfs/dbraw/zinc/88/38/78/426883878.db2.gz IPADETSOCKPMBZ-DOMZBBRYSA-N 1 1 314.389 2.919 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000337619345 426884318 /nfs/dbraw/zinc/88/43/18/426884318.db2.gz DYQSIQGDSWVRJR-UHFFFAOYSA-N 1 1 323.312 2.736 20 5 DFBDMO C[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000267996292 426890311 /nfs/dbraw/zinc/89/03/11/426890311.db2.gz RBSUGFCIVIHGJD-VHSXEESVSA-N 1 1 323.780 2.603 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000247038860 426892977 /nfs/dbraw/zinc/89/29/77/426892977.db2.gz UZTWEKDDWFNOAK-XJKSGUPXSA-N 1 1 322.405 2.975 20 5 DFBDMO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282381684 426896012 /nfs/dbraw/zinc/89/60/12/426896012.db2.gz GAOGMTKKEPRBTO-CYBMUJFWSA-N 1 1 319.405 2.516 20 5 DFBDMO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000275721198 426905872 /nfs/dbraw/zinc/90/58/72/426905872.db2.gz OJOKVRYVAHDAKJ-KRWDZBQOSA-N 1 1 317.389 2.570 20 5 DFBDMO CC1(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)OCCO1 ZINC000268083098 426909204 /nfs/dbraw/zinc/90/92/04/426909204.db2.gz GZNBFGWEIHCNBJ-UHFFFAOYSA-N 1 1 312.391 2.631 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000247502604 426947242 /nfs/dbraw/zinc/94/72/42/426947242.db2.gz VEVUNVQUZZYRMO-JQWIXIFHSA-N 1 1 323.780 2.557 20 5 DFBDMO C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184644 426986478 /nfs/dbraw/zinc/98/64/78/426986478.db2.gz XBHDJOHZZVFPGF-DOTOQJQBSA-N 1 1 303.406 2.553 20 5 DFBDMO C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184644 426986482 /nfs/dbraw/zinc/98/64/82/426986482.db2.gz XBHDJOHZZVFPGF-DOTOQJQBSA-N 1 1 303.406 2.553 20 5 DFBDMO C[N@@H+]1CCC[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184644 426986488 /nfs/dbraw/zinc/98/64/88/426986488.db2.gz XBHDJOHZZVFPGF-DOTOQJQBSA-N 1 1 303.406 2.553 20 5 DFBDMO C[N@H+]1CCC[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184644 426986495 /nfs/dbraw/zinc/98/64/95/426986495.db2.gz XBHDJOHZZVFPGF-DOTOQJQBSA-N 1 1 303.406 2.553 20 5 DFBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248873003 427056263 /nfs/dbraw/zinc/05/62/63/427056263.db2.gz VHKAYGSPVPJZIL-IMJJTQAJSA-N 1 1 318.373 2.677 20 5 DFBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248873003 427056268 /nfs/dbraw/zinc/05/62/68/427056268.db2.gz VHKAYGSPVPJZIL-IMJJTQAJSA-N 1 1 318.373 2.677 20 5 DFBDMO CCCC[N@@H+](CCOC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283363990 427002890 /nfs/dbraw/zinc/00/28/90/427002890.db2.gz RUBSZXPIXHKTHY-UHFFFAOYSA-N 1 1 323.393 2.672 20 5 DFBDMO CC(C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248468762 427005485 /nfs/dbraw/zinc/00/54/85/427005485.db2.gz UHVNUVGRAIAWMH-LSDHHAIUSA-N 1 1 322.405 2.703 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000248563470 427012295 /nfs/dbraw/zinc/01/22/95/427012295.db2.gz BHGDBQCSXVAENF-HUUCEWRRSA-N 1 1 308.403 2.610 20 5 DFBDMO CC(C)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000182147691 427019998 /nfs/dbraw/zinc/01/99/98/427019998.db2.gz ZPWUVFMSKLLQFF-OAHLLOKOSA-N 1 1 322.405 2.988 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268464982 427026793 /nfs/dbraw/zinc/02/67/93/427026793.db2.gz LKBCNOMWZOOQDD-WCQYABFASA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000268464982 427026799 /nfs/dbraw/zinc/02/67/99/427026799.db2.gz LKBCNOMWZOOQDD-WCQYABFASA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000268464982 427026800 /nfs/dbraw/zinc/02/68/00/427026800.db2.gz LKBCNOMWZOOQDD-WCQYABFASA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268464982 427026805 /nfs/dbraw/zinc/02/68/05/427026805.db2.gz LKBCNOMWZOOQDD-WCQYABFASA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268464982 427026806 /nfs/dbraw/zinc/02/68/06/427026806.db2.gz LKBCNOMWZOOQDD-WCQYABFASA-N 1 1 315.377 2.962 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182233435 427035605 /nfs/dbraw/zinc/03/56/05/427035605.db2.gz HUOCWYHEKUXOEI-AWEZNQCLSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182233435 427035613 /nfs/dbraw/zinc/03/56/13/427035613.db2.gz HUOCWYHEKUXOEI-AWEZNQCLSA-N 1 1 312.753 2.633 20 5 DFBDMO Cn1nccc1CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000276331931 427037073 /nfs/dbraw/zinc/03/70/73/427037073.db2.gz REXLYPBRWOWQRW-UHFFFAOYSA-N 1 1 308.769 2.656 20 5 DFBDMO Cn1nccc1CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000276331931 427037079 /nfs/dbraw/zinc/03/70/79/427037079.db2.gz REXLYPBRWOWQRW-UHFFFAOYSA-N 1 1 308.769 2.656 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000190302516 427066240 /nfs/dbraw/zinc/06/62/40/427066240.db2.gz UMTXPHWNBWWTBS-SNVBAGLBSA-N 1 1 308.363 2.893 20 5 DFBDMO CO[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296090853 427072413 /nfs/dbraw/zinc/07/24/13/427072413.db2.gz QOUAPIDTKITXQS-OAHLLOKOSA-N 1 1 308.378 2.721 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCSC[C@H](C)C1 ZINC000249025088 427075753 /nfs/dbraw/zinc/07/57/53/427075753.db2.gz LHTHNACXKFIZTI-VXGBXAGGSA-N 1 1 323.418 2.607 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCSC[C@H](C)C1 ZINC000249025088 427075760 /nfs/dbraw/zinc/07/57/60/427075760.db2.gz LHTHNACXKFIZTI-VXGBXAGGSA-N 1 1 323.418 2.607 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000337999304 427085197 /nfs/dbraw/zinc/08/51/97/427085197.db2.gz SVILNUYVYUNGSR-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO COc1cc(C[N@@H+]2CCSC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000190414004 427099052 /nfs/dbraw/zinc/09/90/52/427099052.db2.gz FRVZGYAUKSBMAA-JTQLQIEISA-N 1 1 314.382 2.927 20 5 DFBDMO COc1cc(C[N@H+]2CCSC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000190414004 427099058 /nfs/dbraw/zinc/09/90/58/427099058.db2.gz FRVZGYAUKSBMAA-JTQLQIEISA-N 1 1 314.382 2.927 20 5 DFBDMO Cc1ccoc1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292124839 427100510 /nfs/dbraw/zinc/10/05/10/427100510.db2.gz HXPCXMPGDTUIJJ-UHFFFAOYSA-N 1 1 317.345 2.957 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249520773 427121699 /nfs/dbraw/zinc/12/16/99/427121699.db2.gz MNHJYJRFWDLVFG-ZIAGYGMSSA-N 1 1 308.378 2.599 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249606799 427133775 /nfs/dbraw/zinc/13/37/75/427133775.db2.gz ZXHWDJXTUWWAJB-SWLSCSKDSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249606799 427133781 /nfs/dbraw/zinc/13/37/81/427133781.db2.gz ZXHWDJXTUWWAJB-SWLSCSKDSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268860472 427134291 /nfs/dbraw/zinc/13/42/91/427134291.db2.gz RIYHCKXKGDMGOO-GJZGRUSLSA-N 1 1 317.389 2.718 20 5 DFBDMO CC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268860479 427134979 /nfs/dbraw/zinc/13/49/79/427134979.db2.gz RIYHCKXKGDMGOO-LSDHHAIUSA-N 1 1 317.389 2.718 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)C1 ZINC000292251945 427147618 /nfs/dbraw/zinc/14/76/18/427147618.db2.gz KGXSGPUPZRMSGI-KRWDZBQOSA-N 1 1 312.373 2.675 20 5 DFBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292284434 427157734 /nfs/dbraw/zinc/15/77/34/427157734.db2.gz CATBFPNRACVSNJ-NHYWBVRUSA-N 1 1 317.345 2.595 20 5 DFBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292284434 427157744 /nfs/dbraw/zinc/15/77/44/427157744.db2.gz CATBFPNRACVSNJ-NHYWBVRUSA-N 1 1 317.345 2.595 20 5 DFBDMO COc1ccc(OCC[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1 ZINC000173804461 271116458 /nfs/dbraw/zinc/11/64/58/271116458.db2.gz ZNNYGFNHVJZWSD-BETUJISGSA-N 1 1 306.362 2.570 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000266136106 271283986 /nfs/dbraw/zinc/28/39/86/271283986.db2.gz FNQPOIYFSAALEF-MRXNPFEDSA-N 1 1 320.437 2.587 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000277373280 427183630 /nfs/dbraw/zinc/18/36/30/427183630.db2.gz FLAOFRDSEUHGDG-CQSZACIVSA-N 1 1 307.394 2.816 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269453543 427199677 /nfs/dbraw/zinc/19/96/77/427199677.db2.gz WMFMPAUCIVZNPZ-XJKSGUPXSA-N 1 1 316.405 2.751 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC(C)(C)O ZINC000292983249 427209742 /nfs/dbraw/zinc/20/97/42/427209742.db2.gz FKWZIOIILOENRR-UHFFFAOYSA-N 1 1 306.284 2.816 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000285379989 427213696 /nfs/dbraw/zinc/21/36/96/427213696.db2.gz RPLKGUBXNFVLSD-QGZVFWFLSA-N 1 1 314.385 2.673 20 5 DFBDMO C[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000254943021 427227444 /nfs/dbraw/zinc/22/74/44/427227444.db2.gz YTWOLZMEPBUNTQ-JVCLFCCPSA-N 1 1 317.389 2.549 20 5 DFBDMO CC(C)SCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338287764 427238281 /nfs/dbraw/zinc/23/82/81/427238281.db2.gz SHRVAIFWQBJRPC-GFCCVEGCSA-N 1 1 310.423 2.618 20 5 DFBDMO CC(C)[C@]1(CO)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000293233572 427255964 /nfs/dbraw/zinc/25/59/64/427255964.db2.gz YPBAFFBEQGWKGZ-QGZVFWFLSA-N 1 1 322.405 2.704 20 5 DFBDMO C[N@H+](Cc1cccc(F)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269729901 427263096 /nfs/dbraw/zinc/26/30/96/427263096.db2.gz XJNUAQBLJXZTPV-MRXNPFEDSA-N 1 1 304.321 2.899 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330586085 427268600 /nfs/dbraw/zinc/26/86/00/427268600.db2.gz SKVGSIIOGZZSFL-STQMWFEESA-N 1 1 307.394 2.518 20 5 DFBDMO CO[C@H](C)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285562435 427272952 /nfs/dbraw/zinc/27/29/52/427272952.db2.gz HDKAABPGFLONMJ-GHMZBOCLSA-N 1 1 320.349 2.673 20 5 DFBDMO CO[C@H](C)C[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285562435 427272957 /nfs/dbraw/zinc/27/29/57/427272957.db2.gz HDKAABPGFLONMJ-GHMZBOCLSA-N 1 1 320.349 2.673 20 5 DFBDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000285665633 427305591 /nfs/dbraw/zinc/30/55/91/427305591.db2.gz PZVUCMZWJMZGHL-HNNXBMFYSA-N 1 1 321.377 2.695 20 5 DFBDMO COC(=O)C(C)(C)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338636241 271565852 /nfs/dbraw/zinc/56/58/52/271565852.db2.gz NPQQTXWFMPFJBS-UHFFFAOYSA-N 1 1 308.378 2.658 20 5 DFBDMO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261909874 427342696 /nfs/dbraw/zinc/34/26/96/427342696.db2.gz QCKWBRLZCUGWOO-NILFDRSVSA-N 1 1 312.373 2.625 20 5 DFBDMO Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262125974 427350579 /nfs/dbraw/zinc/35/05/79/427350579.db2.gz KZJUXYNFQFNFPC-NWDGAFQWSA-N 1 1 300.362 2.625 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000330670961 427288781 /nfs/dbraw/zinc/28/87/81/427288781.db2.gz DUYPCQQLILWUIX-AWEZNQCLSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000271053856 427387355 /nfs/dbraw/zinc/38/73/55/427387355.db2.gz YGZOJDFYQPZVDB-UHFFFAOYSA-N 1 1 301.346 2.891 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000191669638 427402670 /nfs/dbraw/zinc/40/26/70/427402670.db2.gz LSXYWDAPYRPSFU-KRWDZBQOSA-N 1 1 322.405 2.976 20 5 DFBDMO C[C@@H]1C[C@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000286025414 427404330 /nfs/dbraw/zinc/40/43/30/427404330.db2.gz ARCGKADGBKZMFB-NXEZZACHSA-N 1 1 321.406 2.518 20 5 DFBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000184211887 427417858 /nfs/dbraw/zinc/41/78/58/427417858.db2.gz JUAPHVRZWQLMHX-NSHDSACASA-N 1 1 312.341 2.601 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000331155992 427355285 /nfs/dbraw/zinc/35/52/85/427355285.db2.gz PQXULABBBYMZAP-JTQLQIEISA-N 1 1 300.305 2.748 20 5 DFBDMO Cn1cncc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278805141 427459397 /nfs/dbraw/zinc/45/93/97/427459397.db2.gz RWLQHOKEGHQSJE-UHFFFAOYSA-N 1 1 314.267 2.637 20 5 DFBDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000278806803 427461086 /nfs/dbraw/zinc/46/10/86/427461086.db2.gz ZPCKKIZQPUKCKW-GOEBONIOSA-N 1 1 314.389 2.978 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286231705 427461197 /nfs/dbraw/zinc/46/11/97/427461197.db2.gz ZFGMCXCJJLROCY-JLJPHGGASA-N 1 1 322.405 2.644 20 5 DFBDMO Cc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000338743267 427464589 /nfs/dbraw/zinc/46/45/89/427464589.db2.gz HHXOHMLUDYRRJI-MRXNPFEDSA-N 1 1 307.369 2.964 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000338746810 427466505 /nfs/dbraw/zinc/46/65/05/427466505.db2.gz RTLQHGMRKCMEKX-MRXNPFEDSA-N 1 1 304.394 2.529 20 5 DFBDMO Cc1ccc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000278858541 427479334 /nfs/dbraw/zinc/47/93/34/427479334.db2.gz YBORPJDXWFJUGA-CQSZACIVSA-N 1 1 319.405 2.593 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1O ZINC000293910223 427485574 /nfs/dbraw/zinc/48/55/74/427485574.db2.gz WVHXGIAOHOALBV-ZANVPECISA-N 1 1 318.295 2.816 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1O ZINC000293910223 427485581 /nfs/dbraw/zinc/48/55/81/427485581.db2.gz WVHXGIAOHOALBV-ZANVPECISA-N 1 1 318.295 2.816 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000338676819 427433960 /nfs/dbraw/zinc/43/39/60/427433960.db2.gz PDCFTDZYFLSBQO-ZDUSSCGKSA-N 1 1 307.394 2.914 20 5 DFBDMO COc1cc(C[NH2+][C@@H](CO)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184300762 427434549 /nfs/dbraw/zinc/43/45/49/427434549.db2.gz BRMIKOOVJFMAAR-AWEZNQCLSA-N 1 1 320.320 2.566 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331918883 427487345 /nfs/dbraw/zinc/48/73/45/427487345.db2.gz GZWYNMXKZPRXOZ-IMJJTQAJSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331918883 427487349 /nfs/dbraw/zinc/48/73/49/427487349.db2.gz GZWYNMXKZPRXOZ-IMJJTQAJSA-N 1 1 318.373 2.901 20 5 DFBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192176081 427496267 /nfs/dbraw/zinc/49/62/67/427496267.db2.gz IRJBYYGIPUEROD-LBPRGKRZSA-N 1 1 323.418 2.751 20 5 DFBDMO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000332053173 427499105 /nfs/dbraw/zinc/49/91/05/427499105.db2.gz YIZQBRKJERGRFJ-XFBWCDHKSA-N 1 1 303.406 2.905 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332243223 427554694 /nfs/dbraw/zinc/55/46/94/427554694.db2.gz SCZQFXPWJKTROW-RYUDHWBXSA-N 1 1 318.377 2.597 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332243223 427554700 /nfs/dbraw/zinc/55/47/00/427554700.db2.gz SCZQFXPWJKTROW-RYUDHWBXSA-N 1 1 318.377 2.597 20 5 DFBDMO Cc1noc([C@H]2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000332081603 427504526 /nfs/dbraw/zinc/50/45/26/427504526.db2.gz MKESZDYYCXRBMN-PWSUYJOCSA-N 1 1 302.334 2.837 20 5 DFBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1F ZINC000278954960 427514565 /nfs/dbraw/zinc/51/45/65/427514565.db2.gz VZUIUGPXOXDADM-VXGBXAGGSA-N 1 1 323.368 2.597 20 5 DFBDMO C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000298270719 427555075 /nfs/dbraw/zinc/55/50/75/427555075.db2.gz GXDYUKIEEFDXIE-LLVKDONJSA-N 1 1 302.334 2.877 20 5 DFBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000263687514 427541038 /nfs/dbraw/zinc/54/10/38/427541038.db2.gz GKPZYUCISMXTDH-CQSZACIVSA-N 1 1 319.405 2.579 20 5 DFBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332223749 427550981 /nfs/dbraw/zinc/55/09/81/427550981.db2.gz MMFHDKZBJRAHOH-NXEZZACHSA-N 1 1 317.349 2.607 20 5 DFBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332223749 427550987 /nfs/dbraw/zinc/55/09/87/427550987.db2.gz MMFHDKZBJRAHOH-NXEZZACHSA-N 1 1 317.349 2.607 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287177798 427554199 /nfs/dbraw/zinc/55/41/99/427554199.db2.gz CHUTXIOMTWPBJM-KBPBESRZSA-N 1 1 317.389 2.600 20 5 DFBDMO COCC[N@@H+](C)CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000192810003 427614388 /nfs/dbraw/zinc/61/43/88/427614388.db2.gz PMBYGZCQSCDGOW-UHFFFAOYSA-N 1 1 301.774 2.628 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@](F)(CO)C3)o2)c1 ZINC000338997818 427614928 /nfs/dbraw/zinc/61/49/28/427614928.db2.gz CBFMFZSAGAPJCX-MRXNPFEDSA-N 1 1 320.320 2.761 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@](F)(CO)C3)o2)c1 ZINC000338997818 427614937 /nfs/dbraw/zinc/61/49/37/427614937.db2.gz CBFMFZSAGAPJCX-MRXNPFEDSA-N 1 1 320.320 2.761 20 5 DFBDMO CCC1(CC)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000185237799 427620295 /nfs/dbraw/zinc/62/02/95/427620295.db2.gz XGYLDRFUAZKBBL-JOCHJYFZSA-N 1 1 324.446 2.760 20 5 DFBDMO CCC1(CC)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000185237799 427620301 /nfs/dbraw/zinc/62/03/01/427620301.db2.gz XGYLDRFUAZKBBL-JOCHJYFZSA-N 1 1 324.446 2.760 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000184919002 427563874 /nfs/dbraw/zinc/56/38/74/427563874.db2.gz NNEBEMUDENTWKQ-BYIUCRAPSA-N 1 1 317.389 2.599 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000264031116 427637113 /nfs/dbraw/zinc/63/71/13/427637113.db2.gz PLWMBCJVXZQQPI-MRXNPFEDSA-N 1 1 316.357 2.769 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000264031116 427637121 /nfs/dbraw/zinc/63/71/21/427637121.db2.gz PLWMBCJVXZQQPI-MRXNPFEDSA-N 1 1 316.357 2.769 20 5 DFBDMO COc1ccccc1C[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000264043516 427640840 /nfs/dbraw/zinc/64/08/40/427640840.db2.gz FNJZXJBFTZPDHO-UHFFFAOYSA-N 1 1 316.357 2.598 20 5 DFBDMO COc1ccccc1C[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000264043516 427640849 /nfs/dbraw/zinc/64/08/49/427640849.db2.gz FNJZXJBFTZPDHO-UHFFFAOYSA-N 1 1 316.357 2.598 20 5 DFBDMO CC(C)[NH+](CCN(C)Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339080193 427665837 /nfs/dbraw/zinc/66/58/37/427665837.db2.gz DEIYXLLXVDOIJI-UHFFFAOYSA-N 1 1 309.410 2.851 20 5 DFBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339057659 427651910 /nfs/dbraw/zinc/65/19/10/427651910.db2.gz UQXBPPFLFJZYJK-KWQFWETISA-N 1 1 304.268 2.569 20 5 DFBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339057659 427651915 /nfs/dbraw/zinc/65/19/15/427651915.db2.gz UQXBPPFLFJZYJK-KWQFWETISA-N 1 1 304.268 2.569 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185497106 427663283 /nfs/dbraw/zinc/66/32/83/427663283.db2.gz YXQGYUCGNMZXLY-ZDUSSCGKSA-N 1 1 307.394 2.772 20 5 DFBDMO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000343066946 272081879 /nfs/dbraw/zinc/08/18/79/272081879.db2.gz JDBYZOPOCHUGBF-GHMZBOCLSA-N 1 1 311.407 2.649 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000343566758 272172054 /nfs/dbraw/zinc/17/20/54/272172054.db2.gz KKSVFLLLLPVTAU-AWEZNQCLSA-N 1 1 305.378 2.507 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000295064814 427680118 /nfs/dbraw/zinc/68/01/18/427680118.db2.gz ZJMFJUAKHQTYTF-GFCCVEGCSA-N 1 1 317.389 2.718 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000343907502 272235383 /nfs/dbraw/zinc/23/53/83/272235383.db2.gz AGSPTVXTRJWFRY-ZBFHGGJFSA-N 1 1 319.405 2.532 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000343914693 272237248 /nfs/dbraw/zinc/23/72/48/272237248.db2.gz NXULTNGBRFEVGT-SNVBAGLBSA-N 1 1 309.395 2.590 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916969 272237264 /nfs/dbraw/zinc/23/72/64/272237264.db2.gz GXZZULDQEWFXAQ-PBHICJAKSA-N 1 1 303.406 2.696 20 5 DFBDMO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916969 272237265 /nfs/dbraw/zinc/23/72/65/272237265.db2.gz GXZZULDQEWFXAQ-PBHICJAKSA-N 1 1 303.406 2.696 20 5 DFBDMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916969 272237266 /nfs/dbraw/zinc/23/72/66/272237266.db2.gz GXZZULDQEWFXAQ-PBHICJAKSA-N 1 1 303.406 2.696 20 5 DFBDMO CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000339113459 427680418 /nfs/dbraw/zinc/68/04/18/427680418.db2.gz ANXPJEHBALPIHO-LLVKDONJSA-N 1 1 313.785 2.673 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000343931929 272240002 /nfs/dbraw/zinc/24/00/02/272240002.db2.gz PYJQMKMVHKPVDT-CHWSQXEVSA-N 1 1 307.369 2.793 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000343931930 272240105 /nfs/dbraw/zinc/24/01/05/272240105.db2.gz PYJQMKMVHKPVDT-OLZOCXBDSA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344061176 272253644 /nfs/dbraw/zinc/25/36/44/272253644.db2.gz MGZITXGBXVBVLY-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344061176 272253646 /nfs/dbraw/zinc/25/36/46/272253646.db2.gz MGZITXGBXVBVLY-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000344065482 272255086 /nfs/dbraw/zinc/25/50/86/272255086.db2.gz OKMJZRBIYPPDAX-LSDHHAIUSA-N 1 1 320.389 2.623 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1ccccc1O ZINC000344146838 272273488 /nfs/dbraw/zinc/27/34/88/272273488.db2.gz CAPGNRUIYXRLHJ-UHFFFAOYSA-N 1 1 316.357 2.984 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000344167917 272279169 /nfs/dbraw/zinc/27/91/69/272279169.db2.gz UTPZKINNLFVFQP-KBPBESRZSA-N 1 1 322.405 2.703 20 5 DFBDMO Cc1c([C@@H](C)[NH2+]Cc2ccnc(N(C)C)n2)cccc1[N+](=O)[O-] ZINC000344289909 272305016 /nfs/dbraw/zinc/30/50/16/272305016.db2.gz LOTFRANKPULVKM-GFCCVEGCSA-N 1 1 315.377 2.610 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000344415758 272327776 /nfs/dbraw/zinc/32/77/76/272327776.db2.gz DQCPWHIUTRWQJK-AOOOYVTPSA-N 1 1 311.407 2.519 20 5 DFBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000344415758 272327777 /nfs/dbraw/zinc/32/77/77/272327777.db2.gz DQCPWHIUTRWQJK-AOOOYVTPSA-N 1 1 311.407 2.519 20 5 DFBDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185862949 427721085 /nfs/dbraw/zinc/72/10/85/427721085.db2.gz DHGUYBQQJYVWMB-CQSZACIVSA-N 1 1 305.378 2.848 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000344737016 272363931 /nfs/dbraw/zinc/36/39/31/272363931.db2.gz XPISZTZFISOHAX-LLVKDONJSA-N 1 1 311.407 2.507 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344923926 272385156 /nfs/dbraw/zinc/38/51/56/272385156.db2.gz XNRBMYYQWGBOKO-DGCLKSJQSA-N 1 1 306.366 2.507 20 5 DFBDMO CCC[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298812221 427711297 /nfs/dbraw/zinc/71/12/97/427711297.db2.gz PJONMUSQPCQPHV-UHFFFAOYSA-N 1 1 317.345 2.509 20 5 DFBDMO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301092930 427775127 /nfs/dbraw/zinc/77/51/27/427775127.db2.gz PUUNOGTXOYHHPU-TXEJJXNPSA-N 1 1 311.357 2.645 20 5 DFBDMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000339208639 427731065 /nfs/dbraw/zinc/73/10/65/427731065.db2.gz CKBFOQDETHSZRR-CYBMUJFWSA-N 1 1 319.405 2.607 20 5 DFBDMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000339208639 427731069 /nfs/dbraw/zinc/73/10/69/427731069.db2.gz CKBFOQDETHSZRR-CYBMUJFWSA-N 1 1 319.405 2.607 20 5 DFBDMO CCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000301368789 427792073 /nfs/dbraw/zinc/79/20/73/427792073.db2.gz UBBXKAIETZJVDN-UHFFFAOYSA-N 1 1 307.394 2.663 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000301562851 427805336 /nfs/dbraw/zinc/80/53/36/427805336.db2.gz LCZSJRDJGNAELU-MRXNPFEDSA-N 1 1 307.394 2.672 20 5 DFBDMO CC(C)[C@]1(CO)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000339709678 427816546 /nfs/dbraw/zinc/81/65/46/427816546.db2.gz KQBJVCRRAVLXTE-QGZVFWFLSA-N 1 1 306.406 2.868 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000359437172 427851357 /nfs/dbraw/zinc/85/13/57/427851357.db2.gz JKZVANHPBLZCLV-NWDGAFQWSA-N 1 1 309.414 2.794 20 5 DFBDMO O=C(CC[N@H+]1CC[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337354656 427862041 /nfs/dbraw/zinc/86/20/41/427862041.db2.gz BOQDTXLCTQGJFA-GXTWGEPZSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000337366001 427867091 /nfs/dbraw/zinc/86/70/91/427867091.db2.gz LKKQORYBMGJLHO-CHWSQXEVSA-N 1 1 320.393 2.979 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc[nH+]cc3Cl)C2)nc1 ZINC000302783771 427869419 /nfs/dbraw/zinc/86/94/19/427869419.db2.gz LGVLISDPRKMAMH-SNVBAGLBSA-N 1 1 319.752 2.729 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1NCCc1cn2c([nH+]1)CCCC2 ZINC000302790456 427871266 /nfs/dbraw/zinc/87/12/66/427871266.db2.gz GNZKMNXQKLZQFS-UHFFFAOYSA-N 1 1 304.325 2.921 20 5 DFBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccon1 ZINC000349830017 427874572 /nfs/dbraw/zinc/87/45/72/427874572.db2.gz DRMDIPPXSRXXJP-MNOVXSKESA-N 1 1 318.333 2.651 20 5 DFBDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000355777562 427886391 /nfs/dbraw/zinc/88/63/91/427886391.db2.gz CDHAUPBSAANHDX-JHJVBQTASA-N 1 1 305.378 2.900 20 5 DFBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000355784241 427892860 /nfs/dbraw/zinc/89/28/60/427892860.db2.gz IOQFNKUMOZEDQD-CTASWTNQSA-N 1 1 322.405 2.701 20 5 DFBDMO CCC(=O)c1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000339973396 427893105 /nfs/dbraw/zinc/89/31/05/427893105.db2.gz BCXUHMTVTZXJJM-UHFFFAOYSA-N 1 1 303.362 2.861 20 5 DFBDMO CCC(=O)c1ccc(NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000339973396 427893108 /nfs/dbraw/zinc/89/31/08/427893108.db2.gz BCXUHMTVTZXJJM-UHFFFAOYSA-N 1 1 303.362 2.861 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000349970904 427911536 /nfs/dbraw/zinc/91/15/36/427911536.db2.gz RFUXQCUKOXXBRC-ZDUSSCGKSA-N 1 1 318.295 2.792 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000349970904 427911542 /nfs/dbraw/zinc/91/15/42/427911542.db2.gz RFUXQCUKOXXBRC-ZDUSSCGKSA-N 1 1 318.295 2.792 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000341056257 427983586 /nfs/dbraw/zinc/98/35/86/427983586.db2.gz IQIYGHQXDPDTTI-TXEJJXNPSA-N 1 1 323.368 2.727 20 5 DFBDMO Cc1c(-c2noc([C@H]3C[N@H+](C)C[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000351145346 428020764 /nfs/dbraw/zinc/02/07/64/428020764.db2.gz JVVUVVRTXXRMCA-CABZTGNLSA-N 1 1 302.334 2.618 20 5 DFBDMO C[N@@H+](CCCCNc1nc2ccccc2cc1[N+](=O)[O-])C1CC1 ZINC000413344827 428025318 /nfs/dbraw/zinc/02/53/18/428025318.db2.gz DQKMAXFRVXFGOI-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DFBDMO C[N@@H+](CCCCNc1nccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413349250 428026669 /nfs/dbraw/zinc/02/66/69/428026669.db2.gz RCXMMQSHFYJXFF-UHFFFAOYSA-N 1 1 314.389 3.429 20 5 DFBDMO C[C@H]1C[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@H+]1C ZINC000351180742 428027351 /nfs/dbraw/zinc/02/73/51/428027351.db2.gz ISPKWOVAGYLILE-JQWIXIFHSA-N 1 1 302.334 2.843 20 5 DFBDMO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCC[N@H+]1C ZINC000413240318 428001052 /nfs/dbraw/zinc/00/10/52/428001052.db2.gz JPAPIDQIMIKEMK-GZMMTYOYSA-N 1 1 318.299 2.903 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000340373992 428003961 /nfs/dbraw/zinc/00/39/61/428003961.db2.gz BGVPSUYGSXHLGA-CYBMUJFWSA-N 1 1 320.393 2.770 20 5 DFBDMO Cc1sc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000377254605 428093124 /nfs/dbraw/zinc/09/31/24/428093124.db2.gz VYSAHOUCLVOUAU-UHFFFAOYSA-N 1 1 323.418 2.665 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000341542397 428099811 /nfs/dbraw/zinc/09/98/11/428099811.db2.gz JQXHAGYXAKFVCY-RYUDHWBXSA-N 1 1 323.368 2.727 20 5 DFBDMO Cc1c(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)cccc1[N+](=O)[O-] ZINC000370017598 428111248 /nfs/dbraw/zinc/11/12/48/428111248.db2.gz KPNPSPVQLSTTLO-QWHCGFSZSA-N 1 1 303.362 2.716 20 5 DFBDMO CCC[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000377373524 428114825 /nfs/dbraw/zinc/11/48/25/428114825.db2.gz SVQRVFAFKICQLM-UHFFFAOYSA-N 1 1 306.366 2.544 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000370057214 428123720 /nfs/dbraw/zinc/12/37/20/428123720.db2.gz VURNCIFKBDACFX-QGZVFWFLSA-N 1 1 314.389 2.882 20 5 DFBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000359893592 428064755 /nfs/dbraw/zinc/06/47/55/428064755.db2.gz BNBWURARKHSJGH-IYBDPMFKSA-N 1 1 324.384 2.558 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352541283 428141626 /nfs/dbraw/zinc/14/16/26/428141626.db2.gz VZJBBJODJSWXPC-KGLIPLIRSA-N 1 1 306.362 2.604 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609091 428168735 /nfs/dbraw/zinc/16/87/35/428168735.db2.gz RBADAKYQEBXRSZ-CQSZACIVSA-N 1 1 321.396 2.898 20 5 DFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000377609935 428170296 /nfs/dbraw/zinc/17/02/96/428170296.db2.gz ZVDSVWYBYMFSTE-MRXNPFEDSA-N 1 1 308.378 2.588 20 5 DFBDMO CC(C)CC[C@@H](O)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620448 428172780 /nfs/dbraw/zinc/17/27/80/428172780.db2.gz DLECNPUXEBDRPN-OAHLLOKOSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)CC[C@@H](O)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620448 428172785 /nfs/dbraw/zinc/17/27/85/428172785.db2.gz DLECNPUXEBDRPN-OAHLLOKOSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352699832 428213063 /nfs/dbraw/zinc/21/30/63/428213063.db2.gz SGHCCDLDLRFECB-CABCVRRESA-N 1 1 308.378 2.727 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000377749484 428217190 /nfs/dbraw/zinc/21/71/90/428217190.db2.gz ZUCCXRUMIMKRHQ-COXVUDFISA-N 1 1 319.405 2.896 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000377749488 428218038 /nfs/dbraw/zinc/21/80/38/428218038.db2.gz ZUCCXRUMIMKRHQ-XOKHGSTOSA-N 1 1 319.405 2.896 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000341839301 428225863 /nfs/dbraw/zinc/22/58/63/428225863.db2.gz FZEWBTZQWILFHD-ZDUSSCGKSA-N 1 1 319.405 2.686 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000341839301 428225866 /nfs/dbraw/zinc/22/58/66/428225866.db2.gz FZEWBTZQWILFHD-ZDUSSCGKSA-N 1 1 319.405 2.686 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCn2ccnc2C1 ZINC000377683477 428192682 /nfs/dbraw/zinc/19/26/82/428192682.db2.gz ZKZVBVKEHUZUGX-OAHLLOKOSA-N 1 1 314.389 2.528 20 5 DFBDMO C[C@H]1C[C@@H](c2ccsc2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000377954038 428269257 /nfs/dbraw/zinc/26/92/57/428269257.db2.gz MZYXAKYOKKMUCP-WCQYABFASA-N 1 1 306.391 2.731 20 5 DFBDMO O=C([C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000370744148 428289231 /nfs/dbraw/zinc/28/92/31/428289231.db2.gz BOLWOSDUQOXGRO-MRXNPFEDSA-N 1 1 317.389 2.572 20 5 DFBDMO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000370744148 428289239 /nfs/dbraw/zinc/28/92/39/428289239.db2.gz BOLWOSDUQOXGRO-MRXNPFEDSA-N 1 1 317.389 2.572 20 5 DFBDMO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)C3CCCCC3)C2)cc1 ZINC000352884002 428295555 /nfs/dbraw/zinc/29/55/55/428295555.db2.gz POWFASWHDMVQNE-KRWDZBQOSA-N 1 1 320.389 2.599 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH+]ccn3C2)cc1OC(F)F ZINC000377836748 428242316 /nfs/dbraw/zinc/24/23/16/428242316.db2.gz FIXXISUKWAKGMI-JTQLQIEISA-N 1 1 324.287 2.820 20 5 DFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780883 428246321 /nfs/dbraw/zinc/24/63/21/428246321.db2.gz WFYRXSYIRMUPGY-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\CNc1c[nH+]ccc1-n1ccnn1 ZINC000342223644 428355428 /nfs/dbraw/zinc/35/54/28/428355428.db2.gz IPKHXZIFTMAOKA-HYXAFXHYSA-N 1 1 322.328 2.696 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)ccc1Cl ZINC000378169988 428325065 /nfs/dbraw/zinc/32/50/65/428325065.db2.gz PFXLPHIVSADTRQ-GFCCVEGCSA-N 1 1 321.768 2.504 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2Cn2cncn2)ccc1Cl ZINC000378169988 428325067 /nfs/dbraw/zinc/32/50/67/428325067.db2.gz PFXLPHIVSADTRQ-GFCCVEGCSA-N 1 1 321.768 2.504 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000371017361 428341652 /nfs/dbraw/zinc/34/16/52/428341652.db2.gz IOBJURXZGDRKCG-QWHCGFSZSA-N 1 1 310.785 2.706 20 5 DFBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414562791 428342087 /nfs/dbraw/zinc/34/20/87/428342087.db2.gz VLLBBJJRTGOHAV-MRXNPFEDSA-N 1 1 306.362 2.678 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353010650 428349843 /nfs/dbraw/zinc/34/98/43/428349843.db2.gz WCEXKVRQRIORME-LLVKDONJSA-N 1 1 316.304 2.535 20 5 DFBDMO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000357101471 428388562 /nfs/dbraw/zinc/38/85/62/428388562.db2.gz PZTLPVCDSHRLNC-KBPBESRZSA-N 1 1 324.425 2.744 20 5 DFBDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000357101471 428388564 /nfs/dbraw/zinc/38/85/64/428388564.db2.gz PZTLPVCDSHRLNC-KBPBESRZSA-N 1 1 324.425 2.744 20 5 DFBDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000353025221 428357379 /nfs/dbraw/zinc/35/73/79/428357379.db2.gz RADKPDAFQGOJSW-UHFFFAOYSA-N 1 1 320.389 2.994 20 5 DFBDMO COCCc1cc[nH+]c(NC/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000353038245 428364381 /nfs/dbraw/zinc/36/43/81/428364381.db2.gz ZCLWDOKIEHGPLC-XQRVVYSFSA-N 1 1 313.357 3.304 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](COC(F)F)C2)ccc1[N+](=O)[O-] ZINC000353032589 428364820 /nfs/dbraw/zinc/36/48/20/428364820.db2.gz XMVJELRZOQXXMK-NSHDSACASA-N 1 1 316.304 2.665 20 5 DFBDMO NC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000414869205 428438142 /nfs/dbraw/zinc/43/81/42/428438142.db2.gz AHWCSIMVMVEIIZ-HIFRSBDPSA-N 1 1 303.406 2.777 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCc2nccn2C1 ZINC000372576252 428464967 /nfs/dbraw/zinc/46/49/67/428464967.db2.gz YBLCATGCUBQNLI-HNNXBMFYSA-N 1 1 314.389 2.528 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353322203 428485019 /nfs/dbraw/zinc/48/50/19/428485019.db2.gz JMCBBLSCZBAYRM-LBPRGKRZSA-N 1 1 308.382 2.837 20 5 DFBDMO Cc1nnc([C@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000372727986 428495392 /nfs/dbraw/zinc/49/53/92/428495392.db2.gz PFLGRVOJHRPUSS-OAHLLOKOSA-N 1 1 315.377 2.791 20 5 DFBDMO Cc1nnc([C@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000372727986 428495402 /nfs/dbraw/zinc/49/54/02/428495402.db2.gz PFLGRVOJHRPUSS-OAHLLOKOSA-N 1 1 315.377 2.791 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000360959105 428511327 /nfs/dbraw/zinc/51/13/27/428511327.db2.gz FIMQDUJFSBLDMB-NEPJUHHUSA-N 1 1 309.414 2.794 20 5 DFBDMO CCN1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1=O ZINC000347281876 428526023 /nfs/dbraw/zinc/52/60/23/428526023.db2.gz WIHOMKVVPMOEGB-UVTDQMKNSA-N 1 1 317.389 2.552 20 5 DFBDMO CCN1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1=O ZINC000347281876 428526027 /nfs/dbraw/zinc/52/60/27/428526027.db2.gz WIHOMKVVPMOEGB-UVTDQMKNSA-N 1 1 317.389 2.552 20 5 DFBDMO C[C@@H](CCNc1ccncc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000360991388 428527924 /nfs/dbraw/zinc/52/79/24/428527924.db2.gz SNFNHAOAPYYZFY-AWEZNQCLSA-N 1 1 314.389 2.734 20 5 DFBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000361014541 428528379 /nfs/dbraw/zinc/52/83/79/428528379.db2.gz NSIOLQJKRJFFPU-LBPRGKRZSA-N 1 1 318.402 2.935 20 5 DFBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000372603490 428475363 /nfs/dbraw/zinc/47/53/63/428475363.db2.gz ZUZSHDAGMXHSQG-AWEZNQCLSA-N 1 1 317.389 2.650 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000347169560 428477482 /nfs/dbraw/zinc/47/74/82/428477482.db2.gz OKWNYKCPQWVTEF-GFCCVEGCSA-N 1 1 308.378 2.729 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOCC23CCCC3)cc1 ZINC000342868114 428478052 /nfs/dbraw/zinc/47/80/52/428478052.db2.gz JLICHAJFMUSGQX-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOCC23CCCC3)cc1 ZINC000342868114 428478058 /nfs/dbraw/zinc/47/80/58/428478058.db2.gz JLICHAJFMUSGQX-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000361375291 428563593 /nfs/dbraw/zinc/56/35/93/428563593.db2.gz CHJAXRWGKFYSBY-KGLIPLIRSA-N 1 1 317.389 2.684 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344014264 428606087 /nfs/dbraw/zinc/60/60/87/428606087.db2.gz WKRFKCXPCLQVCQ-WCQYABFASA-N 1 1 303.362 2.654 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347573357 428607603 /nfs/dbraw/zinc/60/76/03/428607603.db2.gz VJRBFZYNVNJUJR-FRRDWIJNSA-N 1 1 305.378 2.900 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000373585387 428611400 /nfs/dbraw/zinc/61/14/00/428611400.db2.gz NNZKHYHDFBUNTA-HNNXBMFYSA-N 1 1 300.362 2.937 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000344031798 428611906 /nfs/dbraw/zinc/61/19/06/428611906.db2.gz CYRXAZCIZZHRSQ-HOCLYGCPSA-N 1 1 320.389 2.623 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000408171468 428614020 /nfs/dbraw/zinc/61/40/20/428614020.db2.gz JZAYLAYODJFHIT-KBPBESRZSA-N 1 1 304.394 2.670 20 5 DFBDMO COc1ccc(C[N@H+](C)Cc2cnccc2C)cc1[N+](=O)[O-] ZINC000353661318 428646884 /nfs/dbraw/zinc/64/68/84/428646884.db2.gz WPWFLPROFLRXGC-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO COc1ccc(C[N@@H+](C)Cc2cnccc2C)cc1[N+](=O)[O-] ZINC000353661318 428646892 /nfs/dbraw/zinc/64/68/92/428646892.db2.gz WPWFLPROFLRXGC-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000362202315 428656989 /nfs/dbraw/zinc/65/69/89/428656989.db2.gz QUDMUIXKXFAJOL-GFCCVEGCSA-N 1 1 318.352 2.927 20 5 DFBDMO COc1cc(N2CCC3(CCC[N@H+]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000408440729 428662677 /nfs/dbraw/zinc/66/26/77/428662677.db2.gz AJGBIXMZWUAIMZ-UHFFFAOYSA-N 1 1 323.368 2.807 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](C1CC1)[NH+](C)C ZINC000344842379 428712848 /nfs/dbraw/zinc/71/28/48/428712848.db2.gz BEUQXPNVXMULLJ-VEMDQMBVSA-N 1 1 303.406 2.928 20 5 DFBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000362255415 428678249 /nfs/dbraw/zinc/67/82/49/428678249.db2.gz HICJCTFTZIIBHL-CYBMUJFWSA-N 1 1 315.377 2.726 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[C@H]1O ZINC000348545714 428784132 /nfs/dbraw/zinc/78/41/32/428784132.db2.gz LBLKIKOKMJLWOX-NWDGAFQWSA-N 1 1 316.304 2.541 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc[nH]3)CC2)c(Cl)c1 ZINC000374708747 428737369 /nfs/dbraw/zinc/73/73/69/428737369.db2.gz CFLDYEJMHDPQOF-UHFFFAOYSA-N 1 1 321.768 2.746 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1F ZINC000374774120 428747011 /nfs/dbraw/zinc/74/70/11/428747011.db2.gz AHPSXOSUUFPBCI-IIAWOOMASA-N 1 1 319.380 2.650 20 5 DFBDMO O=C(CC[N@H+]1CCCC12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411651019 428833513 /nfs/dbraw/zinc/83/35/13/428833513.db2.gz WQHDRODASOOEIL-UHFFFAOYSA-N 1 1 303.362 2.942 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000348880867 428866632 /nfs/dbraw/zinc/86/66/32/428866632.db2.gz WCEIYEOOHVQYQP-NSHDSACASA-N 1 1 300.305 2.964 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411902431 428879658 /nfs/dbraw/zinc/87/96/58/428879658.db2.gz HEIDYURGELWULG-VBNZEHGJSA-N 1 1 319.405 2.545 20 5 DFBDMO C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412040834 428919593 /nfs/dbraw/zinc/91/95/93/428919593.db2.gz KSWAWBCMWLHRDT-GFCCVEGCSA-N 1 1 305.378 2.678 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1SCC[N@@H+](C)Cc1ccccc1 ZINC000432919598 428968185 /nfs/dbraw/zinc/96/81/85/428968185.db2.gz VBMCYNUJMQCFTD-UHFFFAOYSA-N 1 1 306.391 2.552 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000451908294 429016006 /nfs/dbraw/zinc/01/60/06/429016006.db2.gz IXZVPJDFNJKQBV-INIZCTEOSA-N 1 1 306.362 2.606 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915650 429019150 /nfs/dbraw/zinc/01/91/50/429019150.db2.gz VUGCIJIDINFDFF-GBIKHYSHSA-N 1 1 318.295 2.901 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451915647 429020026 /nfs/dbraw/zinc/02/00/26/429020026.db2.gz VUGCIJIDINFDFF-BREBYQMCSA-N 1 1 318.295 2.901 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421755406 429028124 /nfs/dbraw/zinc/02/81/24/429028124.db2.gz GGFQRCULUXXVPZ-AWEZNQCLSA-N 1 1 319.405 2.673 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375813193 428981103 /nfs/dbraw/zinc/98/11/03/428981103.db2.gz JFYOOLMPGFUZAM-IUODEOHRSA-N 1 1 318.377 2.685 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000349404153 428982127 /nfs/dbraw/zinc/98/21/27/428982127.db2.gz FIMBWTLRXZIWED-BCRSCGJKSA-N 1 1 318.295 2.853 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000349404153 428982135 /nfs/dbraw/zinc/98/21/35/428982135.db2.gz FIMBWTLRXZIWED-BCRSCGJKSA-N 1 1 318.295 2.853 20 5 DFBDMO COc1ccc(CN2CCC[C@@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000375809588 428983200 /nfs/dbraw/zinc/98/32/00/428983200.db2.gz FHAXYVBITQTYMO-HUUCEWRRSA-N 1 1 319.405 2.662 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433076701 428990538 /nfs/dbraw/zinc/99/05/38/428990538.db2.gz LGACNULNTQLKBP-OAHLLOKOSA-N 1 1 300.362 2.671 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000375859131 428998895 /nfs/dbraw/zinc/99/88/95/428998895.db2.gz ILVPHFMPQCFRJL-HOCLYGCPSA-N 1 1 317.389 2.684 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)n1 ZINC000451865206 429002278 /nfs/dbraw/zinc/00/22/78/429002278.db2.gz XPQWUULIYIJHHF-AWEZNQCLSA-N 1 1 302.334 2.612 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)n1 ZINC000451865206 429002282 /nfs/dbraw/zinc/00/22/82/429002282.db2.gz XPQWUULIYIJHHF-AWEZNQCLSA-N 1 1 302.334 2.612 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000421860768 429040365 /nfs/dbraw/zinc/04/03/65/429040365.db2.gz GXPVVBYXCRDCLB-CQSZACIVSA-N 1 1 319.405 2.814 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000355472294 429048169 /nfs/dbraw/zinc/04/81/69/429048169.db2.gz NCEQJAPSYZUDIQ-HNNXBMFYSA-N 1 1 310.419 2.593 20 5 DFBDMO COC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000452100465 429056713 /nfs/dbraw/zinc/05/67/13/429056713.db2.gz IALLALIZMOFANQ-ZDUSSCGKSA-N 1 1 308.378 2.852 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000452113369 429061669 /nfs/dbraw/zinc/06/16/69/429061669.db2.gz HLUVWJXPVSBSQC-HNNXBMFYSA-N 1 1 307.394 2.518 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000376226478 429080439 /nfs/dbraw/zinc/08/04/39/429080439.db2.gz NUHRIGXCQUEIOC-MRXNPFEDSA-N 1 1 314.389 2.746 20 5 DFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413138554 429147195 /nfs/dbraw/zinc/14/71/95/429147195.db2.gz JFCRPXJRZIZLPF-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO Cc1cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000376512021 429125966 /nfs/dbraw/zinc/12/59/66/429125966.db2.gz GAZZOKAYWRZCDF-UKRRQHHQSA-N 1 1 317.389 2.602 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452576566 429128894 /nfs/dbraw/zinc/12/88/94/429128894.db2.gz UFWXNDQUOQRLQJ-WFASDCNBSA-N 1 1 305.378 2.646 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000424350856 429129886 /nfs/dbraw/zinc/12/98/86/429129886.db2.gz MXRSJSKCKGTADJ-HLPPOEQASA-N 1 1 312.373 2.806 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000364071374 429166196 /nfs/dbraw/zinc/16/61/96/429166196.db2.gz YWVMQDIALZWOHZ-NEPJUHHUSA-N 1 1 324.352 2.601 20 5 DFBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000320702341 275034222 /nfs/dbraw/zinc/03/42/22/275034222.db2.gz OJNPLAAWESYHKG-NXEZZACHSA-N 1 1 319.390 2.638 20 5 DFBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c(Cl)c1 ZINC000301367275 275041185 /nfs/dbraw/zinc/04/11/85/275041185.db2.gz RFXZAEUYBGDWRH-ZKYQVNSYSA-N 1 1 322.796 2.564 20 5 DFBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c(Cl)c1 ZINC000301367274 275041226 /nfs/dbraw/zinc/04/12/26/275041226.db2.gz RFXZAEUYBGDWRH-VHRBIJSZSA-N 1 1 322.796 2.564 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000364329922 429184466 /nfs/dbraw/zinc/18/44/66/429184466.db2.gz SXACEBPAONUILZ-LBPRGKRZSA-N 1 1 306.391 2.998 20 5 DFBDMO CCOc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000488747199 429195896 /nfs/dbraw/zinc/19/58/96/429195896.db2.gz ITGOWQCKLNGKHP-MRXNPFEDSA-N 1 1 305.378 2.526 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)n1 ZINC000488736383 429192795 /nfs/dbraw/zinc/19/27/95/429192795.db2.gz PSXGVBZWNAVRHI-YWPYICTPSA-N 1 1 318.421 2.773 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000488736381 429193355 /nfs/dbraw/zinc/19/33/55/429193355.db2.gz PSXGVBZWNAVRHI-SLEUVZQESA-N 1 1 318.421 2.773 20 5 DFBDMO C[C@@H]1[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000436362809 429198101 /nfs/dbraw/zinc/19/81/01/429198101.db2.gz QDTVVRQVHWJWIA-RKDXNWHRSA-N 1 1 318.299 2.903 20 5 DFBDMO Cc1cc(NC2CCN(c3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000364608681 429233289 /nfs/dbraw/zinc/23/32/89/429233289.db2.gz RRAMCENPFRYIHZ-UHFFFAOYSA-N 1 1 315.377 2.718 20 5 DFBDMO C[N@H+]1CCCC12CCN(c1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000364857337 429267468 /nfs/dbraw/zinc/26/74/68/429267468.db2.gz PKMPRXDVRHWOBS-UHFFFAOYSA-N 1 1 311.332 2.938 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000364986224 429271588 /nfs/dbraw/zinc/27/15/88/429271588.db2.gz KNOYKPPIXJRLAB-SJKOYZFVSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(C)CCCC1 ZINC000490179508 429281062 /nfs/dbraw/zinc/28/10/62/429281062.db2.gz ALDAWFDQRRCHDD-UHFFFAOYSA-N 1 1 317.389 2.748 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425513670 429314541 /nfs/dbraw/zinc/31/45/41/429314541.db2.gz OKZAXSSZVBIAAR-DZGCQCFKSA-N 1 1 315.377 2.893 20 5 DFBDMO CC[N@@H+]1CC[C@H](N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000518989609 429444069 /nfs/dbraw/zinc/44/40/69/429444069.db2.gz VXYORLNLPZLMLZ-AAEUAGOBSA-N 1 1 317.311 2.882 20 5 DFBDMO CC[N@H+]1CC[C@H](N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000518989609 429444082 /nfs/dbraw/zinc/44/40/82/429444082.db2.gz VXYORLNLPZLMLZ-AAEUAGOBSA-N 1 1 317.311 2.882 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448664 429454445 /nfs/dbraw/zinc/45/44/45/429454445.db2.gz DFXVXIWPALDABA-PBHICJAKSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448664 429454450 /nfs/dbraw/zinc/45/44/50/429454450.db2.gz DFXVXIWPALDABA-PBHICJAKSA-N 1 1 320.389 2.673 20 5 DFBDMO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366466036 429457900 /nfs/dbraw/zinc/45/79/00/429457900.db2.gz PVVZEPULIGEHSD-QGZVFWFLSA-N 1 1 320.389 2.755 20 5 DFBDMO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366466036 429457904 /nfs/dbraw/zinc/45/79/04/429457904.db2.gz PVVZEPULIGEHSD-QGZVFWFLSA-N 1 1 320.389 2.755 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCCC23CCCC3)c([N+](=O)[O-])c1 ZINC000366103656 429419366 /nfs/dbraw/zinc/41/93/66/429419366.db2.gz LZYHIUQFEPPCFB-UHFFFAOYSA-N 1 1 303.362 2.602 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457213738 429427725 /nfs/dbraw/zinc/42/77/25/429427725.db2.gz ZFMBSAVQSDINIW-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449476965 429428367 /nfs/dbraw/zinc/42/83/67/429428367.db2.gz VZKNFGPDKZEHKZ-USYSOWRXSA-N 1 1 312.316 2.700 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000449498426 429434872 /nfs/dbraw/zinc/43/48/72/429434872.db2.gz LHXRHKWGZMGJIJ-WFASDCNBSA-N 1 1 308.378 2.850 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449688205 429481219 /nfs/dbraw/zinc/48/12/19/429481219.db2.gz TWKVVCYKAKWUEC-MRXNPFEDSA-N 1 1 306.362 2.606 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000366699406 429495829 /nfs/dbraw/zinc/49/58/29/429495829.db2.gz VLFOJKQGCSYCMG-HNNXBMFYSA-N 1 1 316.361 2.544 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000366699406 429495831 /nfs/dbraw/zinc/49/58/31/429495831.db2.gz VLFOJKQGCSYCMG-HNNXBMFYSA-N 1 1 316.361 2.544 20 5 DFBDMO C[C@H]1CC2(CCC2)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000366748924 429506637 /nfs/dbraw/zinc/50/66/37/429506637.db2.gz CPCRJJYEPQQZNQ-UONOGXRCSA-N 1 1 320.389 2.599 20 5 DFBDMO C[C@H]1CC2(CCC2)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366753111 429507669 /nfs/dbraw/zinc/50/76/69/429507669.db2.gz XENFRXDGFBSMGL-ZFWWWQNUSA-N 1 1 320.389 2.599 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000366818196 429520117 /nfs/dbraw/zinc/52/01/17/429520117.db2.gz KCOPSJLKHZEZTC-UHFFFAOYSA-N 1 1 321.768 2.990 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2Cn2cccn2)cc1F ZINC000366990107 429553859 /nfs/dbraw/zinc/55/38/59/429553859.db2.gz RGDISHTYNHRLPW-AWEZNQCLSA-N 1 1 318.352 2.985 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2Cn2cccn2)cc1F ZINC000366990107 429553861 /nfs/dbraw/zinc/55/38/61/429553861.db2.gz RGDISHTYNHRLPW-AWEZNQCLSA-N 1 1 318.352 2.985 20 5 DFBDMO CCOc1cc(CN2C[C@@H](C)[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492585533 429572064 /nfs/dbraw/zinc/57/20/64/429572064.db2.gz XMILZEGIIMVNJX-ZIAGYGMSSA-N 1 1 321.421 2.908 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000522191850 429586016 /nfs/dbraw/zinc/58/60/16/429586016.db2.gz DWFXNEQXFIUKKL-ZDUSSCGKSA-N 1 1 320.393 2.755 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000492661050 429588653 /nfs/dbraw/zinc/58/86/53/429588653.db2.gz ZZCSLBIEHQQTBK-GJZGRUSLSA-N 1 1 320.389 2.994 20 5 DFBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000366908107 429538250 /nfs/dbraw/zinc/53/82/50/429538250.db2.gz CCPVVWABSMBRFB-LRDDRELGSA-N 1 1 322.336 2.509 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000366934705 429544276 /nfs/dbraw/zinc/54/42/76/429544276.db2.gz CJARFFCYUXBFQG-HZPDHXFCSA-N 1 1 306.362 2.617 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000521231299 429544637 /nfs/dbraw/zinc/54/46/37/429544637.db2.gz DCUPTUHZKTUAHA-HNNXBMFYSA-N 1 1 313.357 2.988 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429575689 429618074 /nfs/dbraw/zinc/61/80/74/429618074.db2.gz AFXHXWTVBFWMJX-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429575683 429618257 /nfs/dbraw/zinc/61/82/57/429618257.db2.gz AFXHXWTVBFWMJX-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OCC ZINC000429714717 429627096 /nfs/dbraw/zinc/62/70/96/429627096.db2.gz HDYWAHOGDOEMQY-CYBMUJFWSA-N 1 1 308.378 2.801 20 5 DFBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OCC ZINC000429714717 429627098 /nfs/dbraw/zinc/62/70/98/429627098.db2.gz HDYWAHOGDOEMQY-CYBMUJFWSA-N 1 1 308.378 2.801 20 5 DFBDMO CCOc1cccc(N2CC[N@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450546295 429645306 /nfs/dbraw/zinc/64/53/06/429645306.db2.gz GMDXXBIJQLSZCO-ZDUSSCGKSA-N 1 1 319.405 2.914 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)nc1 ZINC000450556603 429647245 /nfs/dbraw/zinc/64/72/45/429647245.db2.gz AYOMREOPJUJTOZ-NSHDSACASA-N 1 1 312.320 2.521 20 5 DFBDMO CC(C)[N@@H+](C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450305074 429596111 /nfs/dbraw/zinc/59/61/11/429596111.db2.gz UWHZDRUOVPPNHM-UHFFFAOYSA-N 1 1 320.418 3.470 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000450353351 429606451 /nfs/dbraw/zinc/60/64/51/429606451.db2.gz YOAKRWUWQMATKV-NWDGAFQWSA-N 1 1 317.393 2.780 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C(C)C)C1CCOCC1 ZINC000430200125 429660401 /nfs/dbraw/zinc/66/04/01/429660401.db2.gz FUEGRCVRMLIUBO-UHFFFAOYSA-N 1 1 308.378 2.993 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000430204792 429662629 /nfs/dbraw/zinc/66/26/29/429662629.db2.gz IBUNMGWPNDPYBU-OAHLLOKOSA-N 1 1 320.320 2.566 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000430211507 429662799 /nfs/dbraw/zinc/66/27/99/429662799.db2.gz ANAGHDHTVFWXHU-OAHLLOKOSA-N 1 1 308.378 2.850 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000430211507 429662804 /nfs/dbraw/zinc/66/28/04/429662804.db2.gz ANAGHDHTVFWXHU-OAHLLOKOSA-N 1 1 308.378 2.850 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210553 429662822 /nfs/dbraw/zinc/66/28/22/429662822.db2.gz DOKSDCSJMFAVAQ-GOEBONIOSA-N 1 1 319.405 2.662 20 5 DFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218476 429664259 /nfs/dbraw/zinc/66/42/59/429664259.db2.gz LZDKXKHZYOTPEY-GJZGRUSLSA-N 1 1 308.378 2.729 20 5 DFBDMO CC(C)c1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000245723052 276053041 /nfs/dbraw/zinc/05/30/41/276053041.db2.gz IGKWUEQAUSEYPP-HNNXBMFYSA-N 1 1 303.406 2.998 20 5 DFBDMO CC1=C[C@@H](C)C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430276060 429672215 /nfs/dbraw/zinc/67/22/15/429672215.db2.gz CKTAPRNAEKXUQW-YPMHNXCESA-N 1 1 303.362 2.820 20 5 DFBDMO CC1=C[C@@H](C)C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430276060 429672224 /nfs/dbraw/zinc/67/22/24/429672224.db2.gz CKTAPRNAEKXUQW-YPMHNXCESA-N 1 1 303.362 2.820 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000493152736 429700282 /nfs/dbraw/zinc/70/02/82/429700282.db2.gz KWSFIRFGTZQUSC-XVJNWHFHSA-N 1 1 317.389 2.549 20 5 DFBDMO CCOc1cc(N(C)[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000450951578 429736054 /nfs/dbraw/zinc/73/60/54/429736054.db2.gz GIPWFXOOSHJUAW-CQSZACIVSA-N 1 1 307.394 2.912 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493395972 429753038 /nfs/dbraw/zinc/75/30/38/429753038.db2.gz YDMWGMAWSKUELY-WAFBPQNNSA-N 1 1 323.368 2.592 20 5 DFBDMO COc1ccc(OCC[N@@H+]2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000451116652 429772001 /nfs/dbraw/zinc/77/20/01/429772001.db2.gz SFGDBPXGIYPYLZ-OAHLLOKOSA-N 1 1 312.341 2.806 20 5 DFBDMO COc1ccc(OCC[N@H+]2CCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000451116652 429772004 /nfs/dbraw/zinc/77/20/04/429772004.db2.gz SFGDBPXGIYPYLZ-OAHLLOKOSA-N 1 1 312.341 2.806 20 5 DFBDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451142148 429774902 /nfs/dbraw/zinc/77/49/02/429774902.db2.gz FTSAJIJOSKSMOH-HBNTYKKESA-N 1 1 320.315 2.843 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000368236268 429815233 /nfs/dbraw/zinc/81/52/33/429815233.db2.gz SSSXMNJFVWIOSB-KCXAZCMYSA-N 1 1 317.389 2.522 20 5 DFBDMO Cc1c(NC(=O)[C@H]2CCCc3[nH+]ccn32)cccc1[N+](=O)[O-] ZINC000368239897 429815314 /nfs/dbraw/zinc/81/53/14/429815314.db2.gz JIBJVJLQJSZLLN-CYBMUJFWSA-N 1 1 300.318 2.616 20 5 DFBDMO COCC[N@@H+](C)CCCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432336665 429816022 /nfs/dbraw/zinc/81/60/22/429816022.db2.gz OIHQLLLZRBJATC-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DFBDMO CCO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000451524946 429842057 /nfs/dbraw/zinc/84/20/57/429842057.db2.gz FMDRXMARRVIBKY-NHYWBVRUSA-N 1 1 318.377 2.718 20 5 DFBDMO CCO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000451524946 429842066 /nfs/dbraw/zinc/84/20/66/429842066.db2.gz FMDRXMARRVIBKY-NHYWBVRUSA-N 1 1 318.377 2.718 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000432810755 429842902 /nfs/dbraw/zinc/84/29/02/429842902.db2.gz ATPOENOJGQMVNR-UHFFFAOYSA-N 1 1 319.405 2.641 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432881083 429847249 /nfs/dbraw/zinc/84/72/49/429847249.db2.gz PSSKVUMPPFGRKN-CQSZACIVSA-N 1 1 307.394 2.816 20 5 DFBDMO C[C@H](c1nncn1C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544361 429850336 /nfs/dbraw/zinc/85/03/36/429850336.db2.gz DZBSXDUCWQPOJB-OCCSQVGLSA-N 1 1 315.377 2.664 20 5 DFBDMO C[C@H](c1nncn1C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544361 429850339 /nfs/dbraw/zinc/85/03/39/429850339.db2.gz DZBSXDUCWQPOJB-OCCSQVGLSA-N 1 1 315.377 2.664 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000368481705 429854652 /nfs/dbraw/zinc/85/46/52/429854652.db2.gz IDKIYSXCQYBJDU-NHYWBVRUSA-N 1 1 309.797 2.774 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000451567822 429856754 /nfs/dbraw/zinc/85/67/54/429856754.db2.gz QQRAAPKBZSXKEM-HNNXBMFYSA-N 1 1 308.378 2.850 20 5 DFBDMO Cc1nnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451578408 429857593 /nfs/dbraw/zinc/85/75/93/429857593.db2.gz XFPINLBTSHXHNH-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451578408 429857594 /nfs/dbraw/zinc/85/75/94/429857594.db2.gz XFPINLBTSHXHNH-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000368499039 429857823 /nfs/dbraw/zinc/85/78/23/429857823.db2.gz MOUGRWXPGXDJIB-HNNXBMFYSA-N 1 1 321.333 2.506 20 5 DFBDMO CS[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000451324977 429811372 /nfs/dbraw/zinc/81/13/72/429811372.db2.gz MOFHRIYGECKEQQ-GFCCVEGCSA-N 1 1 320.374 2.582 20 5 DFBDMO CS[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000451324977 429811376 /nfs/dbraw/zinc/81/13/76/429811376.db2.gz MOFHRIYGECKEQQ-GFCCVEGCSA-N 1 1 320.374 2.582 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574146697 430014897 /nfs/dbraw/zinc/01/48/97/430014897.db2.gz FKQHKTUFMBGDQQ-BBRMVZONSA-N 1 1 319.405 2.689 20 5 DFBDMO Cc1cc(N2CC[NH2+]C[C@@](C)(F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000574143532 430014921 /nfs/dbraw/zinc/01/49/21/430014921.db2.gz WMKCVZYCNCNOGR-MRXNPFEDSA-N 1 1 318.352 2.589 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000535720908 430167486 /nfs/dbraw/zinc/16/74/86/430167486.db2.gz FCPQGZCLOBOPKS-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562299574 430117645 /nfs/dbraw/zinc/11/76/45/430117645.db2.gz LSAHEGSHFWSIHE-KGLIPLIRSA-N 1 1 319.405 2.545 20 5 DFBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000073996029 277215151 /nfs/dbraw/zinc/21/51/51/277215151.db2.gz GFRVXVUPVIDBEY-NWDGAFQWSA-N 1 1 323.780 2.557 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000544188814 430276013 /nfs/dbraw/zinc/27/60/13/430276013.db2.gz IOVMOTBBHAUHKS-HIFRSBDPSA-N 1 1 322.405 2.703 20 5 DFBDMO COc1cc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)c([N+](=O)[O-])cc1F ZINC000565877177 430231722 /nfs/dbraw/zinc/23/17/22/430231722.db2.gz IHURFRWSPLSRFY-HNNXBMFYSA-N 1 1 324.352 2.622 20 5 DFBDMO COc1cc(C[N@H+]2CCCC[C@H]2C2(O)CC2)c([N+](=O)[O-])cc1F ZINC000565877177 430231726 /nfs/dbraw/zinc/23/17/26/430231726.db2.gz IHURFRWSPLSRFY-HNNXBMFYSA-N 1 1 324.352 2.622 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000582503774 430307434 /nfs/dbraw/zinc/30/74/34/430307434.db2.gz UBLQQFSWSJUKQI-CJNGLKHVSA-N 1 1 319.405 2.689 20 5 DFBDMO CCO[C@@H]1C[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583973568 430445643 /nfs/dbraw/zinc/44/56/43/430445643.db2.gz SBOBNXDXSLSKKT-UONOGXRCSA-N 1 1 319.386 2.985 20 5 DFBDMO C[N@@H+]1CCC[C@@H]1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000569347310 430446297 /nfs/dbraw/zinc/44/62/97/430446297.db2.gz WFGIPYYUJREHEG-CHWSQXEVSA-N 1 1 317.311 2.882 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000569347310 430446299 /nfs/dbraw/zinc/44/62/99/430446299.db2.gz WFGIPYYUJREHEG-CHWSQXEVSA-N 1 1 317.311 2.882 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000548416230 430473574 /nfs/dbraw/zinc/47/35/74/430473574.db2.gz JLISQZFAWUKERE-NSHDSACASA-N 1 1 324.356 2.586 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000570043457 430508067 /nfs/dbraw/zinc/50/80/67/430508067.db2.gz XTJDYUBRDJUDEM-HUUCEWRRSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000570043459 430508418 /nfs/dbraw/zinc/50/84/18/430508418.db2.gz XTJDYUBRDJUDEM-LSDHHAIUSA-N 1 1 320.389 2.994 20 5 DFBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(F)F ZINC000551256153 430553622 /nfs/dbraw/zinc/55/36/22/430553622.db2.gz WYYXNWKLIQCWGF-SECBINFHSA-N 1 1 301.293 2.557 20 5 DFBDMO C[C@@H]1CSCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000571248134 430614298 /nfs/dbraw/zinc/61/42/98/430614298.db2.gz KWOQOTIMYJMNDQ-JTQLQIEISA-N 1 1 306.391 2.656 20 5 DFBDMO C[C@@H]1CSCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000571248134 430614302 /nfs/dbraw/zinc/61/43/02/430614302.db2.gz KWOQOTIMYJMNDQ-JTQLQIEISA-N 1 1 306.391 2.656 20 5 DFBDMO C[C@H]1CC[N@H+](CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507159 430633411 /nfs/dbraw/zinc/63/34/11/430633411.db2.gz SCIUIHRQAGFLAV-SUMWQHHRSA-N 1 1 303.406 2.904 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000571520239 430634530 /nfs/dbraw/zinc/63/45/30/430634530.db2.gz JIXRTENEFYDRNK-AWEZNQCLSA-N 1 1 313.357 2.988 20 5 DFBDMO COc1cccc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000292659399 278016810 /nfs/dbraw/zinc/01/68/10/278016810.db2.gz CFVDWEYUCLHOKS-MRXNPFEDSA-N 1 1 305.378 2.526 20 5 DFBDMO C[C@@H](CCNc1ncc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000273639315 278234208 /nfs/dbraw/zinc/23/42/08/278234208.db2.gz RUXJIRRVTPLWBV-ZDUSSCGKSA-N 1 1 315.377 2.707 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133491256 279309182 /nfs/dbraw/zinc/30/91/82/279309182.db2.gz WPLVWIAIYQLEMG-VXGBXAGGSA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1c(NC(=O)NCC[N@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000105293593 280244239 /nfs/dbraw/zinc/24/42/39/280244239.db2.gz YEVIAJHXHOQNRL-UHFFFAOYSA-N 1 1 320.393 2.899 20 5 DFBDMO Cc1cccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249750169 281195161 /nfs/dbraw/zinc/19/51/61/281195161.db2.gz QGNGAPLMHJYTQB-TZMCWYRMSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266949652 281366322 /nfs/dbraw/zinc/36/63/22/281366322.db2.gz ZHEPPKHQTMZAET-CQSZACIVSA-N 1 1 300.362 2.589 20 5 DFBDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174869495 281397374 /nfs/dbraw/zinc/39/73/74/281397374.db2.gz ZDWIZWSXWUVSOS-CABCVRRESA-N 1 1 314.389 2.978 20 5 DFBDMO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000363414798 289092006 /nfs/dbraw/zinc/09/20/06/289092006.db2.gz RPEPYALUFCZZRG-PVAVHDDUSA-N 1 1 301.390 2.511 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000437511589 297063077 /nfs/dbraw/zinc/06/30/77/297063077.db2.gz AUGGJPQAQQIWQQ-UHFFFAOYSA-N 1 1 316.361 2.570 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000437538683 297063484 /nfs/dbraw/zinc/06/34/84/297063484.db2.gz RUOPFPCBMCBEFQ-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000157896191 295355272 /nfs/dbraw/zinc/35/52/72/295355272.db2.gz CXDQVXXWCRXWPH-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000292233748 297084644 /nfs/dbraw/zinc/08/46/44/297084644.db2.gz IYWSTZVBYUNELF-NSHDSACASA-N 1 1 324.812 2.954 20 5 DFBDMO CC(C)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438485747 297094740 /nfs/dbraw/zinc/09/47/40/297094740.db2.gz FHDISPXMSDIVFV-OLZOCXBDSA-N 1 1 305.378 2.900 20 5 DFBDMO COC[C@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444680658 297244532 /nfs/dbraw/zinc/24/45/32/297244532.db2.gz GOECJUKIMNGIGD-LBPRGKRZSA-N 1 1 318.377 2.720 20 5 DFBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Cl)ccc1F ZINC000444705268 297246387 /nfs/dbraw/zinc/24/63/87/297246387.db2.gz LKDNWRGNVZVONY-UHFFFAOYSA-N 1 1 312.732 2.716 20 5 DFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Cl)ccc1F ZINC000444705268 297246388 /nfs/dbraw/zinc/24/63/88/297246388.db2.gz LKDNWRGNVZVONY-UHFFFAOYSA-N 1 1 312.732 2.716 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000447811834 297317926 /nfs/dbraw/zinc/31/79/26/297317926.db2.gz IETBWVCVSWOCLN-GFCCVEGCSA-N 1 1 310.373 2.848 20 5 DFBDMO COc1nccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000453259683 298077578 /nfs/dbraw/zinc/07/75/78/298077578.db2.gz XDWPJCAXJRVMKR-LLVKDONJSA-N 1 1 302.334 2.553 20 5 DFBDMO CC1(C)CCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454360089 298161749 /nfs/dbraw/zinc/16/17/49/298161749.db2.gz TWSQQGWIMZUOTE-UHFFFAOYSA-N 1 1 306.366 2.591 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000455079785 298295964 /nfs/dbraw/zinc/29/59/64/298295964.db2.gz DFPMYFCCNMWCTI-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292168652 300302267 /nfs/dbraw/zinc/30/22/67/300302267.db2.gz DPMPJXYKPFGQRO-LLVKDONJSA-N 1 1 324.812 2.954 20 5 DFBDMO C[C@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000517480783 300396904 /nfs/dbraw/zinc/39/69/04/300396904.db2.gz UXILFTAABZRXLU-KBPBESRZSA-N 1 1 319.405 2.546 20 5 DFBDMO CCC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000530475008 301050436 /nfs/dbraw/zinc/05/04/36/301050436.db2.gz CSFGPEYMJKDBTB-GFCCVEGCSA-N 1 1 305.378 2.941 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCOCC1 ZINC000530626855 301060550 /nfs/dbraw/zinc/06/05/50/301060550.db2.gz NWGHRIZQGWGTST-UHFFFAOYSA-N 1 1 308.378 2.993 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531911547 301118549 /nfs/dbraw/zinc/11/85/49/301118549.db2.gz KYXUSPHTKMTBRZ-ZFWWWQNUSA-N 1 1 323.368 2.789 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000532323451 301145006 /nfs/dbraw/zinc/14/50/06/301145006.db2.gz LQOILHFGNRHSHF-UHFFFAOYSA-N 1 1 323.368 2.680 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000534272969 301223283 /nfs/dbraw/zinc/22/32/83/301223283.db2.gz YQPBBUXWNJKPFC-OLZOCXBDSA-N 1 1 312.373 2.816 20 5 DFBDMO Cc1cc(N2CC[NH+](Cc3ccsc3)CC2)ncc1[N+](=O)[O-] ZINC000534528603 301233712 /nfs/dbraw/zinc/23/37/12/301233712.db2.gz REAYOIZXLKEYBT-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536877917 301292120 /nfs/dbraw/zinc/29/21/20/301292120.db2.gz PGQXOEWTXSDOJS-LRDDRELGSA-N 1 1 316.357 2.988 20 5 DFBDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000538123367 301316811 /nfs/dbraw/zinc/31/68/11/301316811.db2.gz NHRGZZZESMZQFP-GFCCVEGCSA-N 1 1 318.377 2.966 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCN1CCCC1=O ZINC000538712035 301329438 /nfs/dbraw/zinc/32/94/38/301329438.db2.gz WNFWCBLIJYMZOZ-ZDUSSCGKSA-N 1 1 305.378 2.518 20 5 DFBDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000539089281 301337784 /nfs/dbraw/zinc/33/77/84/301337784.db2.gz QUNJDTCMPSRWQR-PBHICJAKSA-N 1 1 305.422 2.847 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000539882260 301353126 /nfs/dbraw/zinc/35/31/26/301353126.db2.gz MAFVOYXITORHPJ-NSHDSACASA-N 1 1 319.405 2.592 20 5 DFBDMO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000563050649 302031000 /nfs/dbraw/zinc/03/10/00/302031000.db2.gz YZRPUPXSFAKYST-NSHDSACASA-N 1 1 319.386 2.566 20 5 DFBDMO C[N@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000563050649 302031002 /nfs/dbraw/zinc/03/10/02/302031002.db2.gz YZRPUPXSFAKYST-NSHDSACASA-N 1 1 319.386 2.566 20 5 DFBDMO C[N@@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000563050648 302031274 /nfs/dbraw/zinc/03/12/74/302031274.db2.gz YZRPUPXSFAKYST-LLVKDONJSA-N 1 1 319.386 2.566 20 5 DFBDMO C[N@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000563050648 302031275 /nfs/dbraw/zinc/03/12/75/302031275.db2.gz YZRPUPXSFAKYST-LLVKDONJSA-N 1 1 319.386 2.566 20 5 DFBDMO [NH3+][C@@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000563820626 302101199 /nfs/dbraw/zinc/10/11/99/302101199.db2.gz IZHFDTPMEZOPTN-VXGBXAGGSA-N 1 1 317.311 2.973 20 5 DFBDMO C[C@H](O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000564459156 302136216 /nfs/dbraw/zinc/13/62/16/302136216.db2.gz ODIJSPMXSCZLKD-MEDUHNTESA-N 1 1 304.321 2.946 20 5 DFBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000566287127 302274696 /nfs/dbraw/zinc/27/46/96/302274696.db2.gz XJEIWQGVHKWEMP-GFCCVEGCSA-N 1 1 320.393 2.840 20 5 DFBDMO CC(C)Oc1nc(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000567367163 302354593 /nfs/dbraw/zinc/35/45/93/302354593.db2.gz WRXVIJWHIVIUAN-STQMWFEESA-N 1 1 322.409 2.696 20 5 DFBDMO CC[C@@H]1CCCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181903722 316077470 /nfs/dbraw/zinc/07/74/70/316077470.db2.gz XKCUPFJRUCXHOM-CABCVRRESA-N 1 1 322.405 2.989 20 5 DFBDMO CC[C@]1(C)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181928902 316078563 /nfs/dbraw/zinc/07/85/63/316078563.db2.gz XNMWKRJEHXQSKM-WMLDXEAASA-N 1 1 322.405 2.847 20 5 DFBDMO CC[N@@H+](CCNc1c2ccccc2ncc1[N+](=O)[O-])C(C)C ZINC000488055850 317363998 /nfs/dbraw/zinc/36/39/98/317363998.db2.gz JIFLHICNOPMUBE-UHFFFAOYSA-N 1 1 302.378 2.707 20 5 DFBDMO C[C@@H]1C[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000488085321 317365921 /nfs/dbraw/zinc/36/59/21/317365921.db2.gz SFOOUAQLYBBHFK-NEPJUHHUSA-N 1 1 312.373 2.602 20 5 DFBDMO C[C@H]1C[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000488085326 317366338 /nfs/dbraw/zinc/36/63/38/317366338.db2.gz SFOOUAQLYBBHFK-RYUDHWBXSA-N 1 1 312.373 2.602 20 5 DFBDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000565933061 317932970 /nfs/dbraw/zinc/93/29/70/317932970.db2.gz FKFSPVCASDLXBI-NSHDSACASA-N 1 1 315.329 2.627 20 5 DFBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000574868703 318045791 /nfs/dbraw/zinc/04/57/91/318045791.db2.gz NYAPYCHUTTWXLL-MRXNPFEDSA-N 1 1 317.389 2.618 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000574875313 318046588 /nfs/dbraw/zinc/04/65/88/318046588.db2.gz XZCRQDAROROHKR-KKUMJFAQSA-N 1 1 320.389 2.599 20 5 DFBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1F ZINC000577362011 318187539 /nfs/dbraw/zinc/18/75/39/318187539.db2.gz KIQGGCMGSPAYMM-TUAOUCFPSA-N 1 1 310.373 2.907 20 5 DFBDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000577408926 318191445 /nfs/dbraw/zinc/19/14/45/318191445.db2.gz KTUIHIZKPHGVLF-UHFFFAOYSA-N 1 1 309.366 2.662 20 5 DFBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000577817480 318217972 /nfs/dbraw/zinc/21/79/72/318217972.db2.gz JDRPICUVXPUDQJ-INIZCTEOSA-N 1 1 314.389 2.954 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578946981 318296036 /nfs/dbraw/zinc/29/60/36/318296036.db2.gz CXVUTQKHJKYWJK-CJNGLKHVSA-N 1 1 319.405 2.641 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000579773173 318352554 /nfs/dbraw/zinc/35/25/54/318352554.db2.gz PDFVFYPMPWZXDN-CYBMUJFWSA-N 1 1 307.394 2.772 20 5 DFBDMO CN1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192847419 323248624 /nfs/dbraw/zinc/24/86/24/323248624.db2.gz HSZVDQWIEHCDKT-SUMWQHHRSA-N 1 1 303.406 2.904 20 5 DFBDMO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192847419 323248627 /nfs/dbraw/zinc/24/86/27/323248627.db2.gz HSZVDQWIEHCDKT-SUMWQHHRSA-N 1 1 303.406 2.904 20 5 DFBDMO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192847419 323248631 /nfs/dbraw/zinc/24/86/31/323248631.db2.gz HSZVDQWIEHCDKT-SUMWQHHRSA-N 1 1 303.406 2.904 20 5 DFBDMO COc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000388662207 323331236 /nfs/dbraw/zinc/33/12/36/323331236.db2.gz GIXBJCXSWIPVIP-NSHDSACASA-N 1 1 311.357 2.885 20 5 DFBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000580364293 323375211 /nfs/dbraw/zinc/37/52/11/323375211.db2.gz JOUQTHRSUJTXDL-HNNXBMFYSA-N 1 1 319.405 2.641 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000580404028 323379979 /nfs/dbraw/zinc/37/99/79/323379979.db2.gz GAENJCUARUAPPT-OAHLLOKOSA-N 1 1 308.403 2.801 20 5 DFBDMO Cc1nc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295572043 534487054 /nfs/dbraw/zinc/48/70/54/534487054.db2.gz RGYRXQYSCNPWST-NSHDSACASA-N 1 1 307.398 2.616 20 5 DFBDMO Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000309921846 534498573 /nfs/dbraw/zinc/49/85/73/534498573.db2.gz WEJUCQCLFXKABL-HNNXBMFYSA-N 1 1 312.373 2.985 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366423481 522974935 /nfs/dbraw/zinc/97/49/35/522974935.db2.gz VHOOWWKTISFENC-OAHLLOKOSA-N 1 1 320.389 2.852 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000317323796 534811245 /nfs/dbraw/zinc/81/12/45/534811245.db2.gz WGJIWNUQFOFIPV-QWRGUYRKSA-N 1 1 323.780 2.605 20 5 DFBDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000368608155 524941854 /nfs/dbraw/zinc/94/18/54/524941854.db2.gz LXISTTJEZVBHNE-GXTWGEPZSA-N 1 1 300.362 2.911 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330700183 526731951 /nfs/dbraw/zinc/73/19/51/526731951.db2.gz GQKRDNLVDMNLCS-JKSUJKDBSA-N 1 1 306.406 2.866 20 5 DFBDMO Cc1nc(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000364110435 526784944 /nfs/dbraw/zinc/78/49/44/526784944.db2.gz IHJOFSNNGHNZAA-NSHDSACASA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nnc(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000364110435 526784948 /nfs/dbraw/zinc/78/49/48/526784948.db2.gz IHJOFSNNGHNZAA-NSHDSACASA-N 1 1 315.377 2.962 20 5 DFBDMO CC(C)(O)[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000305684203 527363269 /nfs/dbraw/zinc/36/32/69/527363269.db2.gz AAYZLNYFBBURSD-OAHLLOKOSA-N 1 1 308.378 2.599 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1N[C@H]1CC[N@H+]3CCC[C@@H]3C1)CCN2 ZINC000365046075 527380121 /nfs/dbraw/zinc/38/01/21/527380121.db2.gz ABRYZLSVMYJXFO-NWDGAFQWSA-N 1 1 302.378 2.602 20 5 DFBDMO CC(C)C[N@H+]1CCO[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301504541 528019118 /nfs/dbraw/zinc/01/91/18/528019118.db2.gz GKIUAHLALDCIRJ-GFCCVEGCSA-N 1 1 311.357 2.503 20 5 DFBDMO CC1=CC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000302183088 528118621 /nfs/dbraw/zinc/11/86/21/528118621.db2.gz ZNTJLMMPDSWJKB-UHFFFAOYSA-N 1 1 306.322 2.567 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](O)C23CCCC3)ccc1[N+](=O)[O-] ZINC000292837587 528266729 /nfs/dbraw/zinc/26/67/29/528266729.db2.gz UPUAUDSXFCAVNJ-INIZCTEOSA-N 1 1 320.389 2.873 20 5 DFBDMO CCOc1cc(N2CC[N@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301507175 528311237 /nfs/dbraw/zinc/31/12/37/528311237.db2.gz HHYWKYHJSJNVTQ-AWEZNQCLSA-N 1 1 305.378 2.668 20 5 DFBDMO CC[N@@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292713592 528468672 /nfs/dbraw/zinc/46/86/72/528468672.db2.gz FHHGODRNMDDNAN-UHFFFAOYSA-N 1 1 306.284 2.818 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299566620 528816796 /nfs/dbraw/zinc/81/67/96/528816796.db2.gz NTNHXHZGOPNJJP-UHFFFAOYSA-N 1 1 318.377 2.536 20 5 DFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000305790789 529238546 /nfs/dbraw/zinc/23/85/46/529238546.db2.gz AZTBWRWFYADPNK-UKRRQHHQSA-N 1 1 308.378 2.729 20 5 DFBDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330945507 529325685 /nfs/dbraw/zinc/32/56/85/529325685.db2.gz KALUUOOBFTZCSU-STQMWFEESA-N 1 1 305.378 2.678 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357821145 535019204 /nfs/dbraw/zinc/01/92/04/535019204.db2.gz VEMHHZGDIUNZPH-STQMWFEESA-N 1 1 322.409 2.684 20 5 DFBDMO CC1(C)[C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000172961812 535041126 /nfs/dbraw/zinc/04/11/26/535041126.db2.gz XXCAZOANYMXZJB-OKILXGFUSA-N 1 1 303.362 2.511 20 5 DFBDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000355354519 535075943 /nfs/dbraw/zinc/07/59/43/535075943.db2.gz LIYSMWBGMRNNLR-ZBFHGGJFSA-N 1 1 322.405 2.845 20 5 DFBDMO CCOc1ccc([C@@H](C)NC[C@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000245512073 535413618 /nfs/dbraw/zinc/41/36/18/535413618.db2.gz ZSVVRGVSHXLDNQ-ZIAGYGMSSA-N 1 1 321.421 2.986 20 5 DFBDMO CCOc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000245512073 535413626 /nfs/dbraw/zinc/41/36/26/535413626.db2.gz ZSVVRGVSHXLDNQ-ZIAGYGMSSA-N 1 1 321.421 2.986 20 5 DFBDMO CN(C(=O)C[N@H+]1CCC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173822863 535984636 /nfs/dbraw/zinc/98/46/36/535984636.db2.gz IFDZWDXOEYKKDT-UHFFFAOYSA-N 1 1 317.389 2.824 20 5 DFBDMO CCc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245408086 536164591 /nfs/dbraw/zinc/16/45/91/536164591.db2.gz FOGLGIRAMLIDPZ-DOMZBBRYSA-N 1 1 319.405 2.569 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286534405 219041010 /nfs/dbraw/zinc/04/10/10/219041010.db2.gz NXBPNHHFKTWEQI-GWIBLVFBSA-N 1 1 306.337 2.589 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccccc2)c(F)c1 ZINC000305788313 231056101 /nfs/dbraw/zinc/05/61/01/231056101.db2.gz YYXRCWBVNSMXNI-MRXNPFEDSA-N 1 1 304.321 2.947 20 5 DFBDMO Cn1nccc1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000278681036 214322418 /nfs/dbraw/zinc/32/24/18/214322418.db2.gz RRJSNYSYQFDPDX-UHFFFAOYSA-N 1 1 300.362 2.535 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000319354737 231183945 /nfs/dbraw/zinc/18/39/45/231183945.db2.gz WECMEXDHRFHEBV-BBWFWOEESA-N 1 1 304.390 2.763 20 5 DFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330945506 529439622 /nfs/dbraw/zinc/43/96/22/529439622.db2.gz KALUUOOBFTZCSU-QWHCGFSZSA-N 1 1 305.378 2.678 20 5 DFBDMO C[N@H+]1CCCC12CCN(c1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC000596182570 398350133 /nfs/dbraw/zinc/35/01/33/398350133.db2.gz PPDXGVDDKQFFJU-UHFFFAOYSA-N 1 1 310.785 2.708 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CC[N@@H+](CC3CC3)C1)CCCC2 ZINC000591909799 398351937 /nfs/dbraw/zinc/35/19/37/398351937.db2.gz WAFJVZWPPOZHGX-CQSZACIVSA-N 1 1 316.405 2.765 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081635394 398363975 /nfs/dbraw/zinc/36/39/75/398363975.db2.gz GALVTQMSQKIACD-KRWDZBQOSA-N 1 1 317.433 2.801 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081633778 398364853 /nfs/dbraw/zinc/36/48/53/398364853.db2.gz NIUALPFQVPCEGR-MRXNPFEDSA-N 1 1 303.406 2.759 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000596251078 398367721 /nfs/dbraw/zinc/36/77/21/398367721.db2.gz LSJLRZSMALTAQJ-UHFFFAOYSA-N 1 1 304.394 2.753 20 5 DFBDMO C[N@H+]1C[C@@H](CNc2ccc([N+](=O)[O-])nc2)[C@H](c2ccccc2)C1 ZINC000591988750 398368641 /nfs/dbraw/zinc/36/86/41/398368641.db2.gz JKWFYDDLFNMXQN-ZBFHGGJFSA-N 1 1 312.373 2.747 20 5 DFBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccnc1 ZINC000181311429 199280191 /nfs/dbraw/zinc/28/01/91/199280191.db2.gz GGGKGGBSCDTTHX-LLVKDONJSA-N 1 1 315.329 2.707 20 5 DFBDMO CC(C)CC[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552686 185302559 /nfs/dbraw/zinc/30/25/59/185302559.db2.gz HZESPFQKRHUNKB-AWEZNQCLSA-N 1 1 307.394 2.657 20 5 DFBDMO CCC[C@]1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551300 185303011 /nfs/dbraw/zinc/30/30/11/185303011.db2.gz VDQBVDIQTPJIKY-MRXNPFEDSA-N 1 1 307.394 2.659 20 5 DFBDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592154397 398393464 /nfs/dbraw/zinc/39/34/64/398393464.db2.gz RQINLMVOEJFNQJ-DZGCQCFKSA-N 1 1 306.410 2.940 20 5 DFBDMO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000015369829 398394696 /nfs/dbraw/zinc/39/46/96/398394696.db2.gz DOMSWBNNVOVMKD-UHFFFAOYSA-N 1 1 300.314 2.956 20 5 DFBDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000015369829 398394697 /nfs/dbraw/zinc/39/46/97/398394697.db2.gz DOMSWBNNVOVMKD-UHFFFAOYSA-N 1 1 300.314 2.956 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000066745905 398396267 /nfs/dbraw/zinc/39/62/67/398396267.db2.gz PMERXVNIIMNMJZ-GFCCVEGCSA-N 1 1 311.769 2.523 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000066745905 398396269 /nfs/dbraw/zinc/39/62/69/398396269.db2.gz PMERXVNIIMNMJZ-GFCCVEGCSA-N 1 1 311.769 2.523 20 5 DFBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181444700 199297745 /nfs/dbraw/zinc/29/77/45/199297745.db2.gz DMVOOXULOSJECX-VXGBXAGGSA-N 1 1 321.377 2.571 20 5 DFBDMO CC[N@@H+](CCSC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000592199479 398400804 /nfs/dbraw/zinc/40/08/04/398400804.db2.gz POKCOQMXLSIAFY-UHFFFAOYSA-N 1 1 312.391 2.646 20 5 DFBDMO Cc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000272810938 210211469 /nfs/dbraw/zinc/21/14/69/210211469.db2.gz NJRSVYXXKSSHPU-UHFFFAOYSA-N 1 1 318.295 2.792 20 5 DFBDMO CCC(CC)[C@@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000066797734 398400118 /nfs/dbraw/zinc/40/01/18/398400118.db2.gz BTRDOYYWAPFUQY-OAHLLOKOSA-N 1 1 322.409 2.539 20 5 DFBDMO CCCN(C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592210999 398402889 /nfs/dbraw/zinc/40/28/89/398402889.db2.gz HJMAJHSAWZHFOS-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO CCCN(C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592210998 398403141 /nfs/dbraw/zinc/40/31/41/398403141.db2.gz HJMAJHSAWZHFOS-AWEZNQCLSA-N 1 1 320.393 2.851 20 5 DFBDMO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248759111 398408762 /nfs/dbraw/zinc/40/87/62/398408762.db2.gz DFYGCCKOQNNPCS-DYVFJYSZSA-N 1 1 303.406 2.904 20 5 DFBDMO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248759111 398408767 /nfs/dbraw/zinc/40/87/67/398408767.db2.gz DFYGCCKOQNNPCS-DYVFJYSZSA-N 1 1 303.406 2.904 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000067232720 398424691 /nfs/dbraw/zinc/42/46/91/398424691.db2.gz ONJUKAJCEHXSGD-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn(CC(F)F)c1 ZINC000294553716 529933844 /nfs/dbraw/zinc/93/38/44/529933844.db2.gz FLHCVHMLWVLYCM-UHFFFAOYSA-N 1 1 324.331 2.731 20 5 DFBDMO CC(C)N(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458394 398435570 /nfs/dbraw/zinc/43/55/70/398435570.db2.gz DRYMUSINCTXQSB-UHFFFAOYSA-N 1 1 307.394 2.672 20 5 DFBDMO CC(C)N(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458394 398435572 /nfs/dbraw/zinc/43/55/72/398435572.db2.gz DRYMUSINCTXQSB-UHFFFAOYSA-N 1 1 307.394 2.672 20 5 DFBDMO CC[N@H+](CCSC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000592530176 398443494 /nfs/dbraw/zinc/44/34/94/398443494.db2.gz OQEMNQYYVOXDHP-UHFFFAOYSA-N 1 1 312.391 2.566 20 5 DFBDMO CC[N@@H+](CCSC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000592530176 398443495 /nfs/dbraw/zinc/44/34/95/398443495.db2.gz OQEMNQYYVOXDHP-UHFFFAOYSA-N 1 1 312.391 2.566 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)C1 ZINC000026159301 398450746 /nfs/dbraw/zinc/45/07/46/398450746.db2.gz HNRNKWLBKDCNGV-LBPRGKRZSA-N 1 1 305.378 2.964 20 5 DFBDMO C[C@H]([N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000027137283 398460449 /nfs/dbraw/zinc/46/04/49/398460449.db2.gz QQTUMDXRZJBFPQ-LBPRGKRZSA-N 1 1 319.405 2.850 20 5 DFBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068268698 398491170 /nfs/dbraw/zinc/49/11/70/398491170.db2.gz LONPLFMXGDNKJB-UHFFFAOYSA-N 1 1 309.366 2.524 20 5 DFBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000030269493 398499122 /nfs/dbraw/zinc/49/91/22/398499122.db2.gz JGNWWRSBSPLOLJ-LLVKDONJSA-N 1 1 309.366 2.662 20 5 DFBDMO CC(C)[NH+](CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000272692272 210096712 /nfs/dbraw/zinc/09/67/12/210096712.db2.gz QVKGWGKLCBGDQK-UHFFFAOYSA-N 1 1 323.393 2.539 20 5 DFBDMO O=[N+]([O-])c1ccc(CCN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000314788971 398521994 /nfs/dbraw/zinc/52/19/94/398521994.db2.gz UZVGDYXXZKQXCD-NVXWUHKLSA-N 1 1 303.406 2.601 20 5 DFBDMO COc1cc(C[NH+]2CC3(C2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000459566500 299136114 /nfs/dbraw/zinc/13/61/14/299136114.db2.gz UKKOEQKZLJVHIG-UHFFFAOYSA-N 1 1 306.362 2.988 20 5 DFBDMO COc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000091479792 398532693 /nfs/dbraw/zinc/53/26/93/398532693.db2.gz DWNHSAWRXOUKCA-SNVBAGLBSA-N 1 1 320.324 2.850 20 5 DFBDMO CCOC(=O)c1cc(NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000091483079 398532985 /nfs/dbraw/zinc/53/29/85/398532985.db2.gz SYTINPPXAFCATA-GFCCVEGCSA-N 1 1 321.377 2.525 20 5 DFBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000068906756 398537591 /nfs/dbraw/zinc/53/75/91/398537591.db2.gz MDFIFRJWZUSFGH-UHFFFAOYSA-N 1 1 311.407 2.651 20 5 DFBDMO CC(C)[N@H+]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069080695 398547320 /nfs/dbraw/zinc/54/73/20/398547320.db2.gz OYVKSDOQYMAZCH-UHFFFAOYSA-N 1 1 321.421 2.780 20 5 DFBDMO CC[C@H]1C[C@@H](C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000459619425 299149681 /nfs/dbraw/zinc/14/96/81/299149681.db2.gz IGFDWADJUDZKTJ-ZFWWWQNUSA-N 1 1 320.389 2.863 20 5 DFBDMO CC1(CO)C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000459624440 299150831 /nfs/dbraw/zinc/15/08/31/299150831.db2.gz UYFCGJSHLWLRDX-UHFFFAOYSA-N 1 1 302.330 2.669 20 5 DFBDMO Cc1cccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000069294825 398562066 /nfs/dbraw/zinc/56/20/66/398562066.db2.gz FTMFYUYUMXAQDN-CYBMUJFWSA-N 1 1 317.345 2.529 20 5 DFBDMO Cc1cc(N(C)C[C@H]2CCn3cc[nH+]c3C2)c(F)cc1[N+](=O)[O-] ZINC000589692047 398571220 /nfs/dbraw/zinc/57/12/20/398571220.db2.gz BSNFYXIVURSPBL-LBPRGKRZSA-N 1 1 318.352 2.938 20 5 DFBDMO Cn1ncc2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)cc21 ZINC000589736945 398573148 /nfs/dbraw/zinc/57/31/48/398573148.db2.gz LQABOXVEGPVINL-UHFFFAOYSA-N 1 1 314.320 2.910 20 5 DFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000279936491 215251280 /nfs/dbraw/zinc/25/12/80/215251280.db2.gz XBJUGICNOSJGKP-HIFRSBDPSA-N 1 1 308.378 2.599 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)C(O)[C@@H](C)C1 ZINC000597207525 398590415 /nfs/dbraw/zinc/59/04/15/398590415.db2.gz YYPZBBLPJMCNBU-LSXSHFNWSA-N 1 1 304.390 2.947 20 5 DFBDMO CCOc1cc(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000092656974 398591134 /nfs/dbraw/zinc/59/11/34/398591134.db2.gz VOXZKARNAXCJMR-TZMCWYRMSA-N 1 1 307.394 2.912 20 5 DFBDMO CCOc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000092685972 398594372 /nfs/dbraw/zinc/59/43/72/398594372.db2.gz RMUKOGNCSDJZCB-HIFRSBDPSA-N 1 1 319.405 2.914 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000597236486 398600517 /nfs/dbraw/zinc/60/05/17/398600517.db2.gz QRIXUWRSAXKWHT-ATWYWQRXSA-N 1 1 304.390 2.948 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+](CCCO)C2CC2)c1 ZINC000590161710 398602210 /nfs/dbraw/zinc/60/22/10/398602210.db2.gz OAEYWJHOBVDRLS-UHFFFAOYSA-N 1 1 318.295 2.960 20 5 DFBDMO CC[C@@H](C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000140803201 186028208 /nfs/dbraw/zinc/02/82/08/186028208.db2.gz OFULWEFOPAJWPG-CYBMUJFWSA-N 1 1 307.394 2.720 20 5 DFBDMO CC[C@@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000140803201 186028209 /nfs/dbraw/zinc/02/82/09/186028209.db2.gz OFULWEFOPAJWPG-CYBMUJFWSA-N 1 1 307.394 2.720 20 5 DFBDMO O=c1cc(C[N@@H+]2CCC[C@@H](O)C2)c2c(ccc3ccccc32)o1 ZINC000072535694 398620039 /nfs/dbraw/zinc/62/00/39/398620039.db2.gz BEBWYBIFRXZWDN-OAHLLOKOSA-N 1 1 309.365 2.903 20 5 DFBDMO C[C@@H](c1ccncc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664924 398629635 /nfs/dbraw/zinc/62/96/35/398629635.db2.gz DTSIQVGYQKOLQL-JSGCOSHPSA-N 1 1 313.361 2.632 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590575441 398633540 /nfs/dbraw/zinc/63/35/40/398633540.db2.gz ZSIYMEBQKRTJRO-UHFFFAOYSA-N 1 1 321.425 2.520 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CCc2[nH+]ccn2C1 ZINC000593456503 398633842 /nfs/dbraw/zinc/63/38/42/398633842.db2.gz CIBSOUOJOCIYSV-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(C)O ZINC000093414399 398637116 /nfs/dbraw/zinc/63/71/16/398637116.db2.gz BDTLUYLYHUWSFQ-UHFFFAOYSA-N 1 1 321.402 2.921 20 5 DFBDMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(C)O ZINC000093414399 398637120 /nfs/dbraw/zinc/63/71/20/398637120.db2.gz BDTLUYLYHUWSFQ-UHFFFAOYSA-N 1 1 321.402 2.921 20 5 DFBDMO CC[N@@H+]1C[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000593465790 398637455 /nfs/dbraw/zinc/63/74/55/398637455.db2.gz SXGNTEWGWNNEGD-ZBEGNZNMSA-N 1 1 300.362 2.895 20 5 DFBDMO Cn1cc(C[N@H+]2CCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093460201 398637853 /nfs/dbraw/zinc/63/78/53/398637853.db2.gz GWYFWAHVFFUOET-UHFFFAOYSA-N 1 1 300.362 2.980 20 5 DFBDMO CCOC[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459712427 299169891 /nfs/dbraw/zinc/16/98/91/299169891.db2.gz MWHJUQFBJDOUKC-CYBMUJFWSA-N 1 1 318.377 2.862 20 5 DFBDMO CCOC[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459712427 299169894 /nfs/dbraw/zinc/16/98/94/299169894.db2.gz MWHJUQFBJDOUKC-CYBMUJFWSA-N 1 1 318.377 2.862 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000093865876 398648018 /nfs/dbraw/zinc/64/80/18/398648018.db2.gz KJSWIQYVHBDIAR-INIZCTEOSA-N 1 1 313.357 2.952 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000292018783 222785160 /nfs/dbraw/zinc/78/51/60/222785160.db2.gz WIOFDSWQUOZGCS-SNVBAGLBSA-N 1 1 313.785 2.707 20 5 DFBDMO CC[N@H+]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000094125530 398653587 /nfs/dbraw/zinc/65/35/87/398653587.db2.gz OCXYHYYCZKBJMR-UHFFFAOYSA-N 1 1 319.405 2.688 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](N(C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590765851 398668910 /nfs/dbraw/zinc/66/89/10/398668910.db2.gz ZFDZEFPLOHHJOC-MRXNPFEDSA-N 1 1 321.421 2.778 20 5 DFBDMO CC(C)N1CC[C@@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590765851 398668913 /nfs/dbraw/zinc/66/89/13/398668913.db2.gz ZFDZEFPLOHHJOC-MRXNPFEDSA-N 1 1 321.421 2.778 20 5 DFBDMO CC(C)N1CC[C@@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590765851 398668915 /nfs/dbraw/zinc/66/89/15/398668915.db2.gz ZFDZEFPLOHHJOC-MRXNPFEDSA-N 1 1 321.421 2.778 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000172832725 198155217 /nfs/dbraw/zinc/15/52/17/198155217.db2.gz BGBWNDCIKYAGOL-AWEZNQCLSA-N 1 1 319.405 2.850 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000072697410 191215360 /nfs/dbraw/zinc/21/53/60/191215360.db2.gz LZRPCRZIDIPXDV-TXEJJXNPSA-N 1 1 321.377 2.805 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000072697410 191215363 /nfs/dbraw/zinc/21/53/63/191215363.db2.gz LZRPCRZIDIPXDV-TXEJJXNPSA-N 1 1 321.377 2.805 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172964479 198170501 /nfs/dbraw/zinc/17/05/01/198170501.db2.gz GANIGHAXKYUCOI-CQSZACIVSA-N 1 1 319.405 2.518 20 5 DFBDMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC000072950225 191255545 /nfs/dbraw/zinc/25/55/45/191255545.db2.gz QBCINYLUPHXXMC-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000597853564 398704512 /nfs/dbraw/zinc/70/45/12/398704512.db2.gz CDUCSUJOTFWADY-SNVBAGLBSA-N 1 1 311.407 2.507 20 5 DFBDMO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597861717 398706470 /nfs/dbraw/zinc/70/64/70/398706470.db2.gz WAVBPMAXFRETMD-WFASDCNBSA-N 1 1 319.405 2.687 20 5 DFBDMO COCCC[N@@H+](CCOC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174831011 198390954 /nfs/dbraw/zinc/39/09/54/198390954.db2.gz ABBUBPFIBVDJDE-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174823003 198390021 /nfs/dbraw/zinc/39/00/21/198390021.db2.gz CNVWRUDAERGDEZ-SNVBAGLBSA-N 1 1 310.304 2.763 20 5 DFBDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174823003 198390023 /nfs/dbraw/zinc/39/00/23/198390023.db2.gz CNVWRUDAERGDEZ-SNVBAGLBSA-N 1 1 310.304 2.763 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCCC[C@@H]2CO)cc1 ZINC000594015026 398722190 /nfs/dbraw/zinc/72/21/90/398722190.db2.gz SREJSRFKBOTJKN-OAHLLOKOSA-N 1 1 308.378 2.601 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597925429 398723057 /nfs/dbraw/zinc/72/30/57/398723057.db2.gz PCFYYFDFVQLTRR-GFCCVEGCSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591436452 398759935 /nfs/dbraw/zinc/75/99/35/398759935.db2.gz AFQSQXZEKUUEPH-WBMJQRKESA-N 1 1 312.373 2.640 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594199373 398764450 /nfs/dbraw/zinc/76/44/50/398764450.db2.gz YDCFZSKLOCHSPQ-HZPDHXFCSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594201738 398764995 /nfs/dbraw/zinc/76/49/95/398764995.db2.gz QOLURUQUJMGYMC-GDBMZVCRSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594204680 398765772 /nfs/dbraw/zinc/76/57/72/398765772.db2.gz WQQGADSYDXSRAK-GDBMZVCRSA-N 1 1 317.389 2.650 20 5 DFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269353909 283160995 /nfs/dbraw/zinc/16/09/95/283160995.db2.gz GVQMCCFFIILNGM-JQWIXIFHSA-N 1 1 310.785 2.564 20 5 DFBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000598219430 398773730 /nfs/dbraw/zinc/77/37/30/398773730.db2.gz LUBATSUQPMYJRV-NSHDSACASA-N 1 1 323.418 2.793 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000134422588 283185341 /nfs/dbraw/zinc/18/53/41/283185341.db2.gz IHUJPAXUCQNKQA-OAHLLOKOSA-N 1 1 310.394 2.703 20 5 DFBDMO CCOc1cc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276925171 213178692 /nfs/dbraw/zinc/17/86/92/213178692.db2.gz PWFDLTAISFDHDN-HNNXBMFYSA-N 1 1 310.394 2.832 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276922141 213177769 /nfs/dbraw/zinc/17/77/69/213177769.db2.gz PGGXUOMWJVFOHZ-LRDDRELGSA-N 1 1 308.378 2.850 20 5 DFBDMO CCOc1cc(C[N@@H+](C)[C@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276925173 213179467 /nfs/dbraw/zinc/17/94/67/213179467.db2.gz PWFDLTAISFDHDN-OAHLLOKOSA-N 1 1 310.394 2.832 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000598341846 398796005 /nfs/dbraw/zinc/79/60/05/398796005.db2.gz HBADQPZIDJDRKM-LBPRGKRZSA-N 1 1 317.345 2.555 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276914479 213172209 /nfs/dbraw/zinc/17/22/09/213172209.db2.gz NZFUBGHVZOXZRS-GXTWGEPZSA-N 1 1 308.378 2.729 20 5 DFBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000598343457 398796238 /nfs/dbraw/zinc/79/62/38/398796238.db2.gz VQTRLKZNWFMGIG-LLVKDONJSA-N 1 1 323.418 2.531 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150826464 283268465 /nfs/dbraw/zinc/26/84/65/283268465.db2.gz MTPWKBXHHWVYSE-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150826464 283268469 /nfs/dbraw/zinc/26/84/69/283268469.db2.gz MTPWKBXHHWVYSE-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO CSCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000151161563 283277394 /nfs/dbraw/zinc/27/73/94/283277394.db2.gz VXUICEMNSMVTSU-UHFFFAOYSA-N 1 1 311.407 2.527 20 5 DFBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000179455750 199038733 /nfs/dbraw/zinc/03/87/33/199038733.db2.gz NXYCGRWPKJUHJM-AWEZNQCLSA-N 1 1 319.405 2.592 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000075712465 398818482 /nfs/dbraw/zinc/81/84/82/398818482.db2.gz NNXIFYYIRKYPJR-OLZOCXBDSA-N 1 1 306.362 2.741 20 5 DFBDMO Nc1c(F)c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594597951 398827589 /nfs/dbraw/zinc/82/75/89/398827589.db2.gz FKGLEXUIXFLBEA-CMPLNLGQSA-N 1 1 308.357 2.745 20 5 DFBDMO Nc1c(F)c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594597954 398827734 /nfs/dbraw/zinc/82/77/34/398827734.db2.gz FKGLEXUIXFLBEA-ZYHUDNBSSA-N 1 1 308.357 2.745 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000594599334 398828206 /nfs/dbraw/zinc/82/82/06/398828206.db2.gz JGUNYOZCRIIIMT-HIFRSBDPSA-N 1 1 315.377 2.900 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000594581448 398824043 /nfs/dbraw/zinc/82/40/43/398824043.db2.gz XRLVFSBTWRHIPP-FUNVUKJBSA-N 1 1 305.378 2.665 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1N[C@@H]1CCC[N@H+]3CCCC[C@@H]13)CCN2 ZINC000594602506 398829078 /nfs/dbraw/zinc/82/90/78/398829078.db2.gz QUTRQPURBYRLEJ-CABCVRRESA-N 1 1 316.405 2.992 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1N[C@H]1CCC[N@H+]3CCCC[C@@H]13)CCN2 ZINC000594602508 398829120 /nfs/dbraw/zinc/82/91/20/398829120.db2.gz QUTRQPURBYRLEJ-GJZGRUSLSA-N 1 1 316.405 2.992 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000052159779 398833584 /nfs/dbraw/zinc/83/35/84/398833584.db2.gz QCTVPDNCHARQEP-NSHDSACASA-N 1 1 323.422 2.838 20 5 DFBDMO Cc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)ccn1 ZINC000598588331 398837044 /nfs/dbraw/zinc/83/70/44/398837044.db2.gz IWGFCHDLZGMFGR-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000076158612 398845214 /nfs/dbraw/zinc/84/52/14/398845214.db2.gz MZRZEBJIBCSSTG-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647132 398847072 /nfs/dbraw/zinc/84/70/72/398847072.db2.gz BWWXKTTXJCMLQE-HIFRSBDPSA-N 1 1 322.405 2.832 20 5 DFBDMO CCO[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076407039 398855134 /nfs/dbraw/zinc/85/51/34/398855134.db2.gz FACDJOLCMBOQPT-MRXNPFEDSA-N 1 1 308.378 2.865 20 5 DFBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cc1[N+](=O)[O-] ZINC000153055985 283350985 /nfs/dbraw/zinc/35/09/85/283350985.db2.gz DDZXWONEGPOAPZ-MLGOLLRUSA-N 1 1 321.421 2.984 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000594922454 398872502 /nfs/dbraw/zinc/87/25/02/398872502.db2.gz UKRNMVAJOGZXRE-UHFFFAOYSA-N 1 1 316.361 2.504 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594956558 398880900 /nfs/dbraw/zinc/88/09/00/398880900.db2.gz LKPGAODXDCMFKS-AWEZNQCLSA-N 1 1 321.421 2.956 20 5 DFBDMO COc1ccc(CNC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594962805 398882594 /nfs/dbraw/zinc/88/25/94/398882594.db2.gz KJJSAAVFVAWMKF-CYBMUJFWSA-N 1 1 307.394 2.566 20 5 DFBDMO COc1ccc(CNC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594962805 398882597 /nfs/dbraw/zinc/88/25/97/398882597.db2.gz KJJSAAVFVAWMKF-CYBMUJFWSA-N 1 1 307.394 2.566 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000594967583 398883101 /nfs/dbraw/zinc/88/31/01/398883101.db2.gz UBXITIDCMJIPSB-OAHLLOKOSA-N 1 1 321.421 2.956 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[N@H+]1C(C)(C)C ZINC000594967583 398883104 /nfs/dbraw/zinc/88/31/04/398883104.db2.gz UBXITIDCMJIPSB-OAHLLOKOSA-N 1 1 321.421 2.956 20 5 DFBDMO COc1ccc(C[NH2+][C@@H](C)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000594978987 398885828 /nfs/dbraw/zinc/88/58/28/398885828.db2.gz FMMTXCAYAJXQJO-AWEZNQCLSA-N 1 1 321.421 2.813 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000595011939 398891633 /nfs/dbraw/zinc/89/16/33/398891633.db2.gz DCLWJEBDACQTTM-MNOVXSKESA-N 1 1 323.393 2.557 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C ZINC000595016293 398892254 /nfs/dbraw/zinc/89/22/54/398892254.db2.gz KBWAVNMPQHGQPP-XHDPSFHLSA-N 1 1 307.394 2.594 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000595029877 398894617 /nfs/dbraw/zinc/89/46/17/398894617.db2.gz ZZDHNVOHVYITPP-QWRGUYRKSA-N 1 1 304.350 2.749 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041959 398896534 /nfs/dbraw/zinc/89/65/34/398896534.db2.gz RHYMXXRQCQVRKN-STQMWFEESA-N 1 1 309.410 2.984 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)C[N@@H+](C)C(C)C ZINC000595046535 398897315 /nfs/dbraw/zinc/89/73/15/398897315.db2.gz AIDWWIANQBSRRX-CHWSQXEVSA-N 1 1 309.410 2.983 20 5 DFBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142231308 398898195 /nfs/dbraw/zinc/89/81/95/398898195.db2.gz GBMMBDNEEMLFNV-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000470156197 299292604 /nfs/dbraw/zinc/29/26/04/299292604.db2.gz KVEAYSYEYFJNGM-UMBJVVCDSA-N 1 1 318.373 2.882 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000598989478 398904199 /nfs/dbraw/zinc/90/41/99/398904199.db2.gz IPCLYUHFTFHJLO-LBPRGKRZSA-N 1 1 314.267 2.685 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000470208252 299293688 /nfs/dbraw/zinc/29/36/88/299293688.db2.gz YMAOTXBPPLIWER-JHBIHUPKSA-N 1 1 317.389 2.584 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000470214780 299293663 /nfs/dbraw/zinc/29/36/63/299293663.db2.gz HDAJPYZMSWWYJX-IHWMJMDHSA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000470214780 299293664 /nfs/dbraw/zinc/29/36/64/299293664.db2.gz HDAJPYZMSWWYJX-IHWMJMDHSA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000470214780 299293666 /nfs/dbraw/zinc/29/36/66/299293666.db2.gz HDAJPYZMSWWYJX-IHWMJMDHSA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000470214780 299293668 /nfs/dbraw/zinc/29/36/68/299293668.db2.gz HDAJPYZMSWWYJX-IHWMJMDHSA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000470208252 299293686 /nfs/dbraw/zinc/29/36/86/299293686.db2.gz YMAOTXBPPLIWER-JHBIHUPKSA-N 1 1 317.389 2.584 20 5 DFBDMO C[N@H+]1CCC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599044552 398912292 /nfs/dbraw/zinc/91/22/92/398912292.db2.gz ZQVIAQVOAVAJPK-GFCCVEGCSA-N 1 1 300.362 2.897 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000187957373 200183380 /nfs/dbraw/zinc/18/33/80/200183380.db2.gz HPWDTYZYXIJPHG-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO CC(C)CNC(=O)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000595286672 398915910 /nfs/dbraw/zinc/91/59/10/398915910.db2.gz FYPVQVWGOJYPIE-UHFFFAOYSA-N 1 1 307.394 2.579 20 5 DFBDMO Cc1noc(C[N@@H+]2CCCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595292579 398916560 /nfs/dbraw/zinc/91/65/60/398916560.db2.gz AWKYDSRHQZOSBB-UHFFFAOYSA-N 1 1 316.361 2.604 20 5 DFBDMO Cc1noc(C[N@H+]2CCCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595292579 398916565 /nfs/dbraw/zinc/91/65/65/398916565.db2.gz AWKYDSRHQZOSBB-UHFFFAOYSA-N 1 1 316.361 2.604 20 5 DFBDMO O=[N+]([O-])c1c(N[C@@H]2CCc3c[nH+]cn3C2)ccc2cnccc21 ZINC000599083546 398918710 /nfs/dbraw/zinc/91/87/10/398918710.db2.gz ZILTVUVAZFAPTR-GFCCVEGCSA-N 1 1 309.329 2.766 20 5 DFBDMO Cc1noc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595299941 398919015 /nfs/dbraw/zinc/91/90/15/398919015.db2.gz HQJMNVLZMWFCAO-CQSZACIVSA-N 1 1 317.345 2.855 20 5 DFBDMO Cc1noc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595299941 398919016 /nfs/dbraw/zinc/91/90/16/398919016.db2.gz HQJMNVLZMWFCAO-CQSZACIVSA-N 1 1 317.345 2.855 20 5 DFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000595307899 398920432 /nfs/dbraw/zinc/92/04/32/398920432.db2.gz NCPNREKZWOTBEY-MRXNPFEDSA-N 1 1 304.321 2.899 20 5 DFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000595307899 398920433 /nfs/dbraw/zinc/92/04/33/398920433.db2.gz NCPNREKZWOTBEY-MRXNPFEDSA-N 1 1 304.321 2.899 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188420682 200243238 /nfs/dbraw/zinc/24/32/38/200243238.db2.gz PLJDLIKGIPJRBJ-INIZCTEOSA-N 1 1 300.362 2.764 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCO[C@@H]2CC2(F)F)C2CC2)c1 ZINC000595355016 398926288 /nfs/dbraw/zinc/92/62/88/398926288.db2.gz UDAGPMFGYRCKSV-CQSZACIVSA-N 1 1 312.316 2.983 20 5 DFBDMO O=c1[nH]ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599127143 398925331 /nfs/dbraw/zinc/92/53/31/398925331.db2.gz PQBRWFXHGVCNBU-GFCCVEGCSA-N 1 1 306.366 2.514 20 5 DFBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189084476 200346538 /nfs/dbraw/zinc/34/65/38/200346538.db2.gz BBZAREJVNTYMEV-ZDUSSCGKSA-N 1 1 319.405 2.790 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000595377228 398929713 /nfs/dbraw/zinc/92/97/13/398929713.db2.gz NAZBNBWILCNVRX-LBPRGKRZSA-N 1 1 304.325 2.837 20 5 DFBDMO Cc1noc(C[NH+]2CCC(Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000595409910 398933472 /nfs/dbraw/zinc/93/34/72/398933472.db2.gz QLBTXOFQOWMGKM-UHFFFAOYSA-N 1 1 316.361 2.741 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595424199 398935627 /nfs/dbraw/zinc/93/56/27/398935627.db2.gz ULKDHIOTESVIJX-QWHCGFSZSA-N 1 1 309.366 2.530 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOC[C@@H]2CCCO2)C2CC2)c1 ZINC000153305585 398936090 /nfs/dbraw/zinc/93/60/90/398936090.db2.gz YCGCAUKDWQJEDA-KRWDZBQOSA-N 1 1 320.389 2.755 20 5 DFBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CCC2(CC1)OCCO2 ZINC000190172638 200497185 /nfs/dbraw/zinc/49/71/85/200497185.db2.gz OQNPNZKZSUNBQG-UHFFFAOYSA-N 1 1 320.389 2.960 20 5 DFBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078333555 398948673 /nfs/dbraw/zinc/94/86/73/398948673.db2.gz YGUHETMGUWUTBB-UHFFFAOYSA-N 1 1 305.294 2.510 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504402 398952487 /nfs/dbraw/zinc/95/24/87/398952487.db2.gz IPMOWWMNUOKHEY-KRWDZBQOSA-N 1 1 319.405 2.521 20 5 DFBDMO Cc1noc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1[N+](=O)[O-] ZINC000595512847 398954518 /nfs/dbraw/zinc/95/45/18/398954518.db2.gz WLXFOKMWQFZHHJ-YMTOWFKASA-N 1 1 323.374 2.745 20 5 DFBDMO COc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000078455934 398957235 /nfs/dbraw/zinc/95/72/35/398957235.db2.gz DFUPLUWJVZHCER-ZDUSSCGKSA-N 1 1 307.394 2.914 20 5 DFBDMO CC[N@H+]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000595536124 398959231 /nfs/dbraw/zinc/95/92/31/398959231.db2.gz MQKBWWTYYJRGOR-CYBMUJFWSA-N 1 1 307.394 2.520 20 5 DFBDMO COc1cncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000599353489 398960096 /nfs/dbraw/zinc/96/00/96/398960096.db2.gz HQUJVYCMMPMDAZ-LLVKDONJSA-N 1 1 302.334 2.553 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000078562967 398966819 /nfs/dbraw/zinc/96/68/19/398966819.db2.gz DRWYYQDBPHKKRF-NSHDSACASA-N 1 1 312.801 2.811 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000078584067 398969830 /nfs/dbraw/zinc/96/98/30/398969830.db2.gz XYRHQXFMGZYPMB-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595568491 398976718 /nfs/dbraw/zinc/97/67/18/398976718.db2.gz VQKYACBCLOKAEZ-HUBLWGQQSA-N 1 1 303.362 2.796 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595568491 398976723 /nfs/dbraw/zinc/97/67/23/398976723.db2.gz VQKYACBCLOKAEZ-HUBLWGQQSA-N 1 1 303.362 2.796 20 5 DFBDMO COc1ccc(OCC[N@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595567537 398976872 /nfs/dbraw/zinc/97/68/72/398976872.db2.gz ROLHWEFIMQQGOH-JSGCOSHPSA-N 1 1 306.362 2.857 20 5 DFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000595595213 398990237 /nfs/dbraw/zinc/99/02/37/398990237.db2.gz IHBZKXIPZGGGMJ-KRWDZBQOSA-N 1 1 300.358 2.630 20 5 DFBDMO COC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000474791554 299338747 /nfs/dbraw/zinc/33/87/47/299338747.db2.gz RUDBEGVMNDDHID-NEPJUHHUSA-N 1 1 321.377 2.584 20 5 DFBDMO COC(=O)c1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000474791557 299338857 /nfs/dbraw/zinc/33/88/57/299338857.db2.gz RUDBEGVMNDDHID-VXGBXAGGSA-N 1 1 321.377 2.584 20 5 DFBDMO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1ccccc1[N+](=O)[O-] ZINC000599552428 399012176 /nfs/dbraw/zinc/01/21/76/399012176.db2.gz CEVUGAYFIPWUCQ-NEPJUHHUSA-N 1 1 321.402 2.503 20 5 DFBDMO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1ccccc1[N+](=O)[O-] ZINC000599552428 399012179 /nfs/dbraw/zinc/01/21/79/399012179.db2.gz CEVUGAYFIPWUCQ-NEPJUHHUSA-N 1 1 321.402 2.503 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552377 399012032 /nfs/dbraw/zinc/01/20/32/399012032.db2.gz AWJKZKZWRMDLEB-OLZOCXBDSA-N 1 1 308.403 2.944 20 5 DFBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600229046 399013470 /nfs/dbraw/zinc/01/34/70/399013470.db2.gz NXJLYUBYECWECK-INIZCTEOSA-N 1 1 317.389 2.732 20 5 DFBDMO CC(=O)c1ccc(NC[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000618168004 399028916 /nfs/dbraw/zinc/02/89/16/399028916.db2.gz UXLGHRAHSORQJW-GFCCVEGCSA-N 1 1 314.345 2.668 20 5 DFBDMO Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000092043254 193145377 /nfs/dbraw/zinc/14/53/77/193145377.db2.gz LLZYSDMWHPURHL-HZPDHXFCSA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000092047844 193147588 /nfs/dbraw/zinc/14/75/88/193147588.db2.gz HKXOCWPQRINRHB-UHFFFAOYSA-N 1 1 301.346 2.818 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000595695496 399039055 /nfs/dbraw/zinc/03/90/55/399039055.db2.gz HZFDUKHFYLCKTR-DOMZBBRYSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000079551220 399057177 /nfs/dbraw/zinc/05/71/77/399057177.db2.gz VPVQLPQBJVQQQW-UKRRQHHQSA-N 1 1 318.377 2.652 20 5 DFBDMO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000618275876 399065939 /nfs/dbraw/zinc/06/59/39/399065939.db2.gz FZJPFHXTGBSNNS-UHFFFAOYSA-N 1 1 318.377 2.862 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595757109 399071598 /nfs/dbraw/zinc/07/15/98/399071598.db2.gz ZKXQRTSENLOSLJ-CYBMUJFWSA-N 1 1 323.368 2.913 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000595757109 399071604 /nfs/dbraw/zinc/07/16/04/399071604.db2.gz ZKXQRTSENLOSLJ-CYBMUJFWSA-N 1 1 323.368 2.913 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595756355 399071662 /nfs/dbraw/zinc/07/16/62/399071662.db2.gz UFRUSMXJYNEUEL-ZDUSSCGKSA-N 1 1 323.368 2.913 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595756355 399071667 /nfs/dbraw/zinc/07/16/67/399071667.db2.gz UFRUSMXJYNEUEL-ZDUSSCGKSA-N 1 1 323.368 2.913 20 5 DFBDMO C[N@@H+](CCCNc1ncccc1[N+](=O)[O-])Cc1ccccc1 ZINC000057877763 399069165 /nfs/dbraw/zinc/06/91/65/399069165.db2.gz MSVOKKCMPSARPQ-UHFFFAOYSA-N 1 1 300.362 2.924 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCCC3(CC3)C1)OCCO2 ZINC000613747135 399075062 /nfs/dbraw/zinc/07/50/62/399075062.db2.gz LMHHSPLTZHLIDI-UHFFFAOYSA-N 1 1 304.346 2.742 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCCC3(CC3)C1)OCCO2 ZINC000613747135 399075069 /nfs/dbraw/zinc/07/50/69/399075069.db2.gz LMHHSPLTZHLIDI-UHFFFAOYSA-N 1 1 304.346 2.742 20 5 DFBDMO C[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271788531 296115581 /nfs/dbraw/zinc/11/55/81/296115581.db2.gz UFHYRYSKLLSTRO-CYBMUJFWSA-N 1 1 305.378 2.648 20 5 DFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000305161200 284038074 /nfs/dbraw/zinc/03/80/74/284038074.db2.gz RLOMJAKMAKNDQC-CYBMUJFWSA-N 1 1 318.295 2.730 20 5 DFBDMO COC(=O)c1cc(NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000079914704 399097114 /nfs/dbraw/zinc/09/71/14/399097114.db2.gz RILRDKZVNQHVRG-GFCCVEGCSA-N 1 1 321.377 2.525 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419376460 296137609 /nfs/dbraw/zinc/13/76/09/296137609.db2.gz TUKRYZJTNHUHIN-AVGNSLFASA-N 1 1 305.378 2.818 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419374684 296137614 /nfs/dbraw/zinc/13/76/14/296137614.db2.gz QITNBGLMJZPNNI-XQQFMLRXSA-N 1 1 305.378 2.818 20 5 DFBDMO C[C@@H]1[C@H](C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000419370472 296137220 /nfs/dbraw/zinc/13/72/20/296137220.db2.gz JPLFIUTYXQQIOR-UPJWGTAASA-N 1 1 305.378 2.900 20 5 DFBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1C ZINC000419369995 296137285 /nfs/dbraw/zinc/13/72/85/296137285.db2.gz ISJWAULJDYSJHG-AGIUHOORSA-N 1 1 305.378 2.534 20 5 DFBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000419369996 296137297 /nfs/dbraw/zinc/13/72/97/296137297.db2.gz ISJWAULJDYSJHG-FRRDWIJNSA-N 1 1 305.378 2.534 20 5 DFBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1O ZINC000339100358 284137028 /nfs/dbraw/zinc/13/70/28/284137028.db2.gz XIEHVQJEVTXNFL-ZANVPECISA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1O ZINC000339100358 284137031 /nfs/dbraw/zinc/13/70/31/284137031.db2.gz XIEHVQJEVTXNFL-ZANVPECISA-N 1 1 318.295 2.816 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000595873209 399118982 /nfs/dbraw/zinc/11/89/82/399118982.db2.gz YJOVXFITHWQBRT-OAHLLOKOSA-N 1 1 319.405 2.801 20 5 DFBDMO C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000600708821 399120900 /nfs/dbraw/zinc/12/09/00/399120900.db2.gz GPDZCQOVHCHBLA-DAXOMENPSA-N 1 1 303.406 2.646 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340201159 284160564 /nfs/dbraw/zinc/16/05/64/284160564.db2.gz JGENFKHFPHYYCB-OLZOCXBDSA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340201159 284160568 /nfs/dbraw/zinc/16/05/68/284160568.db2.gz JGENFKHFPHYYCB-OLZOCXBDSA-N 1 1 318.295 2.873 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000060333535 399122434 /nfs/dbraw/zinc/12/24/34/399122434.db2.gz XRNMKBMRHFRKTE-ZDUSSCGKSA-N 1 1 305.378 2.941 20 5 DFBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093481304 193257962 /nfs/dbraw/zinc/25/79/62/193257962.db2.gz SMNSFHPGQWDIOT-SECBINFHSA-N 1 1 317.183 2.560 20 5 DFBDMO Cc1ccoc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534650 193266433 /nfs/dbraw/zinc/26/64/33/193266433.db2.gz DLSRQVGZPWAZOP-GFCCVEGCSA-N 1 1 302.334 2.578 20 5 DFBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093899215 193324902 /nfs/dbraw/zinc/32/49/02/193324902.db2.gz QNBAAFGUGTVMAK-GFCCVEGCSA-N 1 1 307.394 2.532 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCCCC1 ZINC000266843802 296151385 /nfs/dbraw/zinc/15/13/85/296151385.db2.gz HKBMUKNCEWOFFB-QWHCGFSZSA-N 1 1 305.378 2.646 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CC2(C)C)c1 ZINC000595908322 399130415 /nfs/dbraw/zinc/13/04/15/399130415.db2.gz HJABWVPUPPMCEF-ZDUSSCGKSA-N 1 1 306.362 2.859 20 5 DFBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595911006 399131936 /nfs/dbraw/zinc/13/19/36/399131936.db2.gz WCCZUZFKPLWLNN-GFCCVEGCSA-N 1 1 305.378 2.901 20 5 DFBDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000264687923 204078442 /nfs/dbraw/zinc/07/84/42/204078442.db2.gz CYXRPSNYUKHGPF-NEPJUHHUSA-N 1 1 323.393 2.908 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271704149 209140107 /nfs/dbraw/zinc/14/01/07/209140107.db2.gz HXRHCAMMPMIRHW-OLZOCXBDSA-N 1 1 305.378 2.504 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000266168483 205154532 /nfs/dbraw/zinc/15/45/32/205154532.db2.gz QFNXYFQBQCDALO-CQSZACIVSA-N 1 1 305.378 2.541 20 5 DFBDMO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1nccn1C ZINC000271678696 209119691 /nfs/dbraw/zinc/11/96/91/209119691.db2.gz HZLGSKHBBIGZJC-LBPRGKRZSA-N 1 1 304.350 2.578 20 5 DFBDMO COc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000596156394 399194286 /nfs/dbraw/zinc/19/42/86/399194286.db2.gz OVCFSSJEJLUNJJ-RYUDHWBXSA-N 1 1 305.378 2.949 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1C(C)C ZINC000063618496 399198424 /nfs/dbraw/zinc/19/84/24/399198424.db2.gz KGYALILLFJISIR-AWEZNQCLSA-N 1 1 321.377 2.662 20 5 DFBDMO CN(C[C@@H]1CCC[N@H+]1C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000420628035 296193678 /nfs/dbraw/zinc/19/36/78/296193678.db2.gz AFDBDZVPAMIDKN-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601011463 399203110 /nfs/dbraw/zinc/20/31/10/399203110.db2.gz RKGPFTXRPLUPCG-RYUDHWBXSA-N 1 1 323.368 2.584 20 5 DFBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000420635324 296194614 /nfs/dbraw/zinc/19/46/14/296194614.db2.gz MGUSDZUQRXSFIQ-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO CN(C[C@H]1CCC[N@H+]1C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000420636576 296194729 /nfs/dbraw/zinc/19/47/29/296194729.db2.gz NTADKPNQLDPBBQ-CYBMUJFWSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282975132 217362168 /nfs/dbraw/zinc/36/21/68/217362168.db2.gz DCPKBPWBEPJVMK-LBPRGKRZSA-N 1 1 324.352 2.898 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282975132 217362171 /nfs/dbraw/zinc/36/21/71/217362171.db2.gz DCPKBPWBEPJVMK-LBPRGKRZSA-N 1 1 324.352 2.898 20 5 DFBDMO COc1cc(NC[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])cc1F ZINC000288539470 220217306 /nfs/dbraw/zinc/21/73/06/220217306.db2.gz XSCFBZBOHZYTHK-JTQLQIEISA-N 1 1 320.324 2.614 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601125161 399234008 /nfs/dbraw/zinc/23/40/08/399234008.db2.gz NDNPLXFCTJTCTR-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO CCOC(=O)CCN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601131191 399236291 /nfs/dbraw/zinc/23/62/91/399236291.db2.gz GHOWXCPKTWWBKK-UHFFFAOYSA-N 1 1 303.318 2.532 20 5 DFBDMO C[C@H](C[C@H]1CCOC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601130569 399236528 /nfs/dbraw/zinc/23/65/28/399236528.db2.gz WHNVBYRIOMXLHM-VXGBXAGGSA-N 1 1 301.346 2.792 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000267431678 206061171 /nfs/dbraw/zinc/06/11/71/206061171.db2.gz MRNPAZSUBUCDQE-CYBMUJFWSA-N 1 1 316.361 2.706 20 5 DFBDMO C[C@H]1C[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601137430 399238998 /nfs/dbraw/zinc/23/89/98/399238998.db2.gz XRCFNVLHNZLRBR-RYUDHWBXSA-N 1 1 301.346 2.792 20 5 DFBDMO C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCOC1 ZINC000601139845 399239112 /nfs/dbraw/zinc/23/91/12/399239112.db2.gz NNNHTQJXHNIHDV-NEPJUHHUSA-N 1 1 301.346 2.792 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601139575 399239466 /nfs/dbraw/zinc/23/94/66/399239466.db2.gz GDOWCLUAUADNRT-SJKOYZFVSA-N 1 1 312.373 2.673 20 5 DFBDMO C[C@@]1(O)CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601158279 399244098 /nfs/dbraw/zinc/24/40/98/399244098.db2.gz QQZGTHHUBFPJIN-MRXNPFEDSA-N 1 1 301.346 2.884 20 5 DFBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601164087 399245331 /nfs/dbraw/zinc/24/53/31/399245331.db2.gz UJZDWLGKERFLTJ-UHFFFAOYSA-N 1 1 322.340 2.680 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(F)(F)[C@@H](CO)C3)c2c1 ZINC000601166406 399245573 /nfs/dbraw/zinc/24/55/73/399245573.db2.gz LBHOQFBTFZQBTQ-SNVBAGLBSA-N 1 1 323.299 2.597 20 5 DFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000267594126 206164572 /nfs/dbraw/zinc/16/45/72/206164572.db2.gz IPADETSOCKPMBZ-WFASDCNBSA-N 1 1 314.389 2.919 20 5 DFBDMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000023991311 182371260 /nfs/dbraw/zinc/37/12/60/182371260.db2.gz HVDDKSYURPLYON-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000023991311 182371262 /nfs/dbraw/zinc/37/12/62/182371262.db2.gz HVDDKSYURPLYON-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO C[C@@H]1C[C@@H](CO)CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601174651 399247854 /nfs/dbraw/zinc/24/78/54/399247854.db2.gz FACZGULDIKDJSJ-VXGBXAGGSA-N 1 1 301.346 2.598 20 5 DFBDMO C[C@@H]1C[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@H](C)O1 ZINC000601175983 399248498 /nfs/dbraw/zinc/24/84/98/399248498.db2.gz MILZCEFJGBPBFN-WOPDTQHZSA-N 1 1 301.346 2.790 20 5 DFBDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000421022356 296227067 /nfs/dbraw/zinc/22/70/67/296227067.db2.gz OYIMHKJUAKRIAU-SKDRFNHKSA-N 1 1 318.295 2.959 20 5 DFBDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 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306.193 2.943 20 5 DFBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](C3CCCCC3)C2)nc1 ZINC000302106922 230096796 /nfs/dbraw/zinc/09/67/96/230096796.db2.gz AESSIERTUUNDSD-LBPRGKRZSA-N 1 1 305.382 2.594 20 5 DFBDMO CCOC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066695645 425905981 /nfs/dbraw/zinc/90/59/81/425905981.db2.gz DUCUUHOPLHAFJS-LBPRGKRZSA-N 1 1 306.362 2.931 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000124470320 425921129 /nfs/dbraw/zinc/92/11/29/425921129.db2.gz FKGZZPGAYOMWAI-CQSZACIVSA-N 1 1 319.405 2.693 20 5 DFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000029630494 425828171 /nfs/dbraw/zinc/82/81/71/425828171.db2.gz KEYOJGXDRCGJLI-UHFFFAOYSA-N 1 1 313.357 2.623 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC(C)C)C(C)C ZINC000031582042 425835115 /nfs/dbraw/zinc/83/51/15/425835115.db2.gz MJOZTHPZZPWDRD-UHFFFAOYSA-N 1 1 323.393 2.908 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3cc(Cl)ccc3C2)n1 ZINC000192246096 268026707 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C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccco2)C1 ZINC000174882894 426267091 /nfs/dbraw/zinc/26/70/91/426267091.db2.gz MHBNXWDXXGTIJZ-OCCSQVGLSA-N 1 1 304.350 2.858 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3CO)o2)c1 ZINC000119279303 426275091 /nfs/dbraw/zinc/27/50/91/426275091.db2.gz NAGGDZYCDPNZCI-AWEZNQCLSA-N 1 1 302.330 2.812 20 5 DFBDMO CC(C)CO[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000119577199 426298373 /nfs/dbraw/zinc/29/83/73/426298373.db2.gz XKRMTZZHUIPBMM-CQSZACIVSA-N 1 1 308.378 2.721 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000175732043 426323871 /nfs/dbraw/zinc/32/38/71/426323871.db2.gz BONXCMPVWRVVLF-UKRRQHHQSA-N 1 1 321.421 2.766 20 5 DFBDMO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nccs1 ZINC000175092762 426278883 /nfs/dbraw/zinc/27/88/83/426278883.db2.gz RNELNOJFPVLYJF-UHFFFAOYSA-N 1 1 307.375 2.952 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1nccs1 ZINC000175092762 426278884 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CS[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000296152987 427092015 /nfs/dbraw/zinc/09/20/15/427092015.db2.gz GWUDAZNNTGNOKI-CYBMUJFWSA-N 1 1 323.418 2.669 20 5 DFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283886436 427092694 /nfs/dbraw/zinc/09/26/94/427092694.db2.gz AVBGFJIDHICXOX-HNNXBMFYSA-N 1 1 323.349 2.630 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000190415887 427099413 /nfs/dbraw/zinc/09/94/13/427099413.db2.gz DFBLYXDZOOMCJF-SWLSCSKDSA-N 1 1 308.378 2.585 20 5 DFBDMO C[C@H]1CSCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000190460959 427115074 /nfs/dbraw/zinc/11/50/74/427115074.db2.gz XQJKITBTPVUDBT-GFCCVEGCSA-N 1 1 323.418 2.608 20 5 DFBDMO COCc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000268793362 427119072 /nfs/dbraw/zinc/11/90/72/427119072.db2.gz NDTXZKQLRMXMNT-UHFFFAOYSA-N 1 1 306.318 2.633 20 5 DFBDMO C[C@@H]1CCSCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276801821 427123626 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427255759 /nfs/dbraw/zinc/25/57/59/427255759.db2.gz MHSXXFHCJQGSOB-INIZCTEOSA-N 1 1 316.357 2.769 20 5 DFBDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000285519096 427259585 /nfs/dbraw/zinc/25/95/85/427259585.db2.gz ODJWYTCERQCZNC-SJPCQFCGSA-N 1 1 303.406 2.694 20 5 DFBDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000285519096 427259589 /nfs/dbraw/zinc/25/95/89/427259589.db2.gz ODJWYTCERQCZNC-SJPCQFCGSA-N 1 1 303.406 2.694 20 5 DFBDMO CN(CCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285519096 427259594 /nfs/dbraw/zinc/25/95/94/427259594.db2.gz ODJWYTCERQCZNC-SJPCQFCGSA-N 1 1 303.406 2.694 20 5 DFBDMO CN(CCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285519096 427259599 /nfs/dbraw/zinc/25/95/99/427259599.db2.gz ODJWYTCERQCZNC-SJPCQFCGSA-N 1 1 303.406 2.694 20 5 DFBDMO COc1cc(C[NH2+][C@H](C)c2ccncc2F)ccc1[N+](=O)[O-] ZINC000338339693 427265798 /nfs/dbraw/zinc/26/57/98/427265798.db2.gz DANKRFALIYBBGR-SNVBAGLBSA-N 1 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/nfs/dbraw/zinc/80/47/31/427804731.db2.gz AGNRLAJBGAPIEZ-UHFFFAOYSA-N 1 1 314.389 2.974 20 5 DFBDMO Cc1ccc2c(c1)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C2 ZINC000339631382 427804734 /nfs/dbraw/zinc/80/47/34/427804734.db2.gz AGNRLAJBGAPIEZ-UHFFFAOYSA-N 1 1 314.389 2.974 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301561289 427805547 /nfs/dbraw/zinc/80/55/47/427805547.db2.gz IMVIKHMPGLXERZ-DGCLKSJQSA-N 1 1 320.349 2.566 20 5 DFBDMO CC(C)[C@@]1(CO)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000339701413 427814575 /nfs/dbraw/zinc/81/45/75/427814575.db2.gz HTRKUMUBVBACAC-INIZCTEOSA-N 1 1 310.369 2.964 20 5 DFBDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000339701413 427814577 /nfs/dbraw/zinc/81/45/77/427814577.db2.gz HTRKUMUBVBACAC-INIZCTEOSA-N 1 1 310.369 2.964 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000301804189 427826482 /nfs/dbraw/zinc/82/64/82/427826482.db2.gz VETGUPMMKVDQAX-MNOVXSKESA-N 1 1 311.332 2.936 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339780413 427828027 /nfs/dbraw/zinc/82/80/27/427828027.db2.gz ZOWWMUZGGYESHS-OAHLLOKOSA-N 1 1 320.389 2.865 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339780413 427828029 /nfs/dbraw/zinc/82/80/29/427828029.db2.gz ZOWWMUZGGYESHS-OAHLLOKOSA-N 1 1 320.389 2.865 20 5 DFBDMO C[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000301872746 427831447 /nfs/dbraw/zinc/83/14/47/427831447.db2.gz XIHPPIGPPBGIPY-HIFRSBDPSA-N 1 1 316.336 2.986 20 5 DFBDMO CC(C)[N@@H+](C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345652014 427845656 /nfs/dbraw/zinc/84/56/56/427845656.db2.gz BBEVVAWMRRAMKC-OAHLLOKOSA-N 1 1 323.418 2.509 20 5 DFBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000337372782 427869713 /nfs/dbraw/zinc/86/97/13/427869713.db2.gz PLXIVYVUHRYBDQ-CHWSQXEVSA-N 1 1 320.393 2.979 20 5 DFBDMO CC[N@@H+](C)[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000302784881 427870547 /nfs/dbraw/zinc/87/05/47/427870547.db2.gz UXZONKMAEVTCOE-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(C)[C@H](CNc1cc(F)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000302787452 427870674 /nfs/dbraw/zinc/87/06/74/427870674.db2.gz AQCIIFZQCPQRID-HNNXBMFYSA-N 1 1 311.357 2.503 20 5 DFBDMO C[N@@H+]1C[C@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000302868471 427882058 /nfs/dbraw/zinc/88/20/58/427882058.db2.gz XCETWLMBTRYYMD-DTORHVGOSA-N 1 1 316.188 2.899 20 5 DFBDMO CC1=CC[N@@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302902568 427887977 /nfs/dbraw/zinc/88/79/77/427887977.db2.gz UGAXEESMXKAHMI-UHFFFAOYSA-N 1 1 302.378 2.627 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)c1 ZINC000349890911 427889055 /nfs/dbraw/zinc/88/90/55/427889055.db2.gz DJXDZMZKDRSIJA-LLVKDONJSA-N 1 1 311.301 2.571 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc([C@H]3CCn4cc[nH+]c4C3)n2)c1 ZINC000349908870 427896446 /nfs/dbraw/zinc/89/64/46/427896446.db2.gz PGJIOWIRSUKXBU-NSHDSACASA-N 1 1 311.301 2.571 20 5 DFBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000355794398 427897614 /nfs/dbraw/zinc/89/76/14/427897614.db2.gz YZNWICZLNVREFB-GRYCIOLGSA-N 1 1 305.378 2.560 20 5 DFBDMO Cn1cc(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cn1 ZINC000349922642 427899037 /nfs/dbraw/zinc/89/90/37/427899037.db2.gz YTHQNZATIKJTBY-UHFFFAOYSA-N 1 1 318.352 2.847 20 5 DFBDMO O=[N+]([O-])c1cccc(CCNc2cc[nH+]cc2Br)c1 ZINC000340013388 427900638 /nfs/dbraw/zinc/90/06/38/427900638.db2.gz FHXDUBIGJRAAMW-UHFFFAOYSA-N 1 1 322.162 2.829 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000349965244 427910176 /nfs/dbraw/zinc/91/01/76/427910176.db2.gz LHMNCZFZNVBVGA-LBPRGKRZSA-N 1 1 308.382 2.753 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@H](C)O)C(C)C ZINC000304005319 427911612 /nfs/dbraw/zinc/91/16/12/427911612.db2.gz SQUHCTZVPHIHER-ZDUSSCGKSA-N 1 1 310.394 2.973 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C[C@@H](C)O)C(C)C ZINC000304005316 427911764 /nfs/dbraw/zinc/91/17/64/427911764.db2.gz SQUHCTZVPHIHER-CYBMUJFWSA-N 1 1 310.394 2.973 20 5 DFBDMO C[N@H+]1CCC[C@@H](CCNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413435296 428047582 /nfs/dbraw/zinc/04/75/82/428047582.db2.gz HEUJOHPGUZUHCZ-ZDUSSCGKSA-N 1 1 314.389 3.287 20 5 DFBDMO CC(=O)c1ccc(NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413445960 428049831 /nfs/dbraw/zinc/04/98/31/428049831.db2.gz UDBHXCRSUOERBB-CYBMUJFWSA-N 1 1 305.378 2.941 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000341128735 427997279 /nfs/dbraw/zinc/99/72/79/427997279.db2.gz UZTXGBMZKMTWEM-JTQLQIEISA-N 1 1 311.411 2.836 20 5 DFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)[C@@H](C)C1 ZINC000413281785 428009316 /nfs/dbraw/zinc/00/93/16/428009316.db2.gz NWBLYKGHBBGLOF-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO C[NH+](C)Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356330918 428127366 /nfs/dbraw/zinc/12/73/66/428127366.db2.gz CDEWGBNWUKXXDD-UHFFFAOYSA-N 1 1 315.329 2.614 20 5 DFBDMO COC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c[nH]1 ZINC000341559916 428106818 /nfs/dbraw/zinc/10/68/18/428106818.db2.gz ZCVYZOZZGAXJRY-UHFFFAOYSA-N 1 1 323.736 2.653 20 5 DFBDMO Cc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000377360592 428114350 /nfs/dbraw/zinc/11/43/50/428114350.db2.gz SDWICICQANSFJG-CABCVRRESA-N 1 1 317.389 2.602 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000370057213 428122919 /nfs/dbraw/zinc/12/29/19/428122919.db2.gz VURNCIFKBDACFX-KRWDZBQOSA-N 1 1 314.389 2.882 20 5 DFBDMO C[C@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000352356638 428131707 /nfs/dbraw/zinc/13/17/07/428131707.db2.gz MWSUNEVTVGBGNJ-WCQYABFASA-N 1 1 312.373 3.180 20 5 DFBDMO CCCC[N@@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362479 428133584 /nfs/dbraw/zinc/13/35/84/428133584.db2.gz VSQKTAMKAHUKBA-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000346343078 428135306 /nfs/dbraw/zinc/13/53/06/428135306.db2.gz VLUJIDYLTLFRLG-JLJPHGGASA-N 1 1 304.390 2.921 20 5 DFBDMO CCc1nc([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000377493064 428137800 /nfs/dbraw/zinc/13/78/00/428137800.db2.gz GCJFMYLANLFUNW-CYBMUJFWSA-N 1 1 316.361 2.920 20 5 DFBDMO CCc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000377493064 428137802 /nfs/dbraw/zinc/13/78/02/428137802.db2.gz GCJFMYLANLFUNW-CYBMUJFWSA-N 1 1 316.361 2.920 20 5 DFBDMO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535422 428138389 /nfs/dbraw/zinc/13/83/89/428138389.db2.gz QJHQSBMDEYPSRG-GJZGRUSLSA-N 1 1 319.405 2.520 20 5 DFBDMO Cc1ccnc(NCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000360278073 428232795 /nfs/dbraw/zinc/23/27/95/428232795.db2.gz GJHMRYCJNBUXCZ-UHFFFAOYSA-N 1 1 300.362 2.842 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCn2ccnc2C1 ZINC000377683475 428193146 /nfs/dbraw/zinc/19/31/46/428193146.db2.gz ZKZVBVKEHUZUGX-HNNXBMFYSA-N 1 1 314.389 2.528 20 5 DFBDMO COC(=O)[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377982743 428279086 /nfs/dbraw/zinc/27/90/86/428279086.db2.gz ANFCFIYWFXRUBS-BXUZGUMPSA-N 1 1 306.362 2.787 20 5 DFBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414396919 428285339 /nfs/dbraw/zinc/28/53/39/428285339.db2.gz GUUIVZNDPZZAIR-NSHDSACASA-N 1 1 324.356 2.587 20 5 DFBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000352865903 428288419 /nfs/dbraw/zinc/28/84/19/428288419.db2.gz FNFJRRKHTMWKRK-GDBMZVCRSA-N 1 1 322.405 2.989 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000356591981 428245868 /nfs/dbraw/zinc/24/58/68/428245868.db2.gz DSZRMKODUSIKGV-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000377862864 428250565 /nfs/dbraw/zinc/25/05/65/428250565.db2.gz ZVIWWXZBXSUFEU-OAHLLOKOSA-N 1 1 314.389 2.794 20 5 DFBDMO Cc1[nH+]ccn1-c1cccc(NCc2ccccc2[N+](=O)[O-])n1 ZINC000360455857 428306885 /nfs/dbraw/zinc/30/68/85/428306885.db2.gz UIQVLLHDNKJYPL-UHFFFAOYSA-N 1 1 309.329 3.096 20 5 DFBDMO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1C ZINC000356790113 428309585 /nfs/dbraw/zinc/30/95/85/428309585.db2.gz GNAYJABOKCRZEH-ZJUUUORDSA-N 1 1 315.320 2.725 20 5 DFBDMO CCc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356805617 428315064 /nfs/dbraw/zinc/31/50/64/428315064.db2.gz MAERDMYIFQZXGS-LBPRGKRZSA-N 1 1 307.394 2.616 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)ccc1Cl ZINC000378172536 428325888 /nfs/dbraw/zinc/32/58/88/428325888.db2.gz GJNGTPMWZIVADM-NSHDSACASA-N 1 1 321.768 2.746 20 5 DFBDMO [NH3+][C@@H]1CCC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000346825546 428334400 /nfs/dbraw/zinc/33/44/00/428334400.db2.gz QJUABCCRYJRFNR-UENUHNEHSA-N 1 1 301.390 2.667 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000414553453 428336144 /nfs/dbraw/zinc/33/61/44/428336144.db2.gz FRLSHDGOLYEUJS-INIZCTEOSA-N 1 1 306.362 2.678 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353129317 428398417 /nfs/dbraw/zinc/39/84/17/428398417.db2.gz UKMMDVLXNWCUTJ-CQSZACIVSA-N 1 1 307.394 2.567 20 5 DFBDMO CCCN1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353129317 428398420 /nfs/dbraw/zinc/39/84/20/428398420.db2.gz UKMMDVLXNWCUTJ-CQSZACIVSA-N 1 1 307.394 2.567 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353063340 428373819 /nfs/dbraw/zinc/37/38/19/428373819.db2.gz SRMDSXMZJSHGQW-ZDUSSCGKSA-N 1 1 309.410 2.813 20 5 DFBDMO C[N@@H+](C[C@@H]1CC12CCN(c1ccc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000378355999 428375227 /nfs/dbraw/zinc/37/52/27/428375227.db2.gz RHNANHNTYFKZKY-ZDUSSCGKSA-N 1 1 316.405 2.691 20 5 DFBDMO CCCNCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414874896 428441856 /nfs/dbraw/zinc/44/18/56/428441856.db2.gz SZPUVSKPKNZGJD-GDBMZVCRSA-N 1 1 305.422 2.895 20 5 DFBDMO Cc1ccc(C[NH2+]C[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000414953027 428468275 /nfs/dbraw/zinc/46/82/75/428468275.db2.gz JGNAAPUTCVMDCR-QGZVFWFLSA-N 1 1 311.385 2.880 20 5 DFBDMO CCN[C@H](C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414950652 428469515 /nfs/dbraw/zinc/46/95/15/428469515.db2.gz GFHJECWGDADACB-YCPHGPKFSA-N 1 1 305.422 2.894 20 5 DFBDMO CC[NH2+][C@H](C)CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414950652 428469520 /nfs/dbraw/zinc/46/95/20/428469520.db2.gz GFHJECWGDADACB-YCPHGPKFSA-N 1 1 305.422 2.894 20 5 DFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])c(N)c1F)C1CCCCC1 ZINC000357191144 428427435 /nfs/dbraw/zinc/42/74/35/428427435.db2.gz XHIWZUYECWHKHW-UHFFFAOYSA-N 1 1 310.373 2.993 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000414842576 428429461 /nfs/dbraw/zinc/42/94/61/428429461.db2.gz ITKICPWPQQZHNQ-IMJJTQAJSA-N 1 1 303.406 2.648 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353322202 428485452 /nfs/dbraw/zinc/48/54/52/428485452.db2.gz JMCBBLSCZBAYRM-GFCCVEGCSA-N 1 1 308.382 2.837 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000357368041 428502596 /nfs/dbraw/zinc/50/25/96/428502596.db2.gz FNHGEBLKGZYIDC-JTQLQIEISA-N 1 1 312.345 2.584 20 5 DFBDMO C[N@@H+](C[C@@H]1CC12CCN(c1ncccc1[N+](=O)[O-])CC2)C1CC1 ZINC000372835111 428503254 /nfs/dbraw/zinc/50/32/54/428503254.db2.gz DLHPOPSUOMBZHS-ZDUSSCGKSA-N 1 1 316.405 2.691 20 5 DFBDMO CCc1nn(C)c(NCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000360956127 428508010 /nfs/dbraw/zinc/50/80/10/428508010.db2.gz YMIPCSFUSHLJJG-UHFFFAOYSA-N 1 1 309.414 2.567 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000360959108 428509998 /nfs/dbraw/zinc/50/99/98/428509998.db2.gz FIMQDUJFSBLDMB-VXGBXAGGSA-N 1 1 309.414 2.794 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000360960839 428511454 /nfs/dbraw/zinc/51/14/54/428511454.db2.gz NHGWLTMNDOKQBR-VXGBXAGGSA-N 1 1 309.414 2.652 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000360959094 428511654 /nfs/dbraw/zinc/51/16/54/428511654.db2.gz FCRQIJAAKIICAW-VXGBXAGGSA-N 1 1 309.414 2.652 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000373059727 428515197 /nfs/dbraw/zinc/51/51/97/428515197.db2.gz RAWPCACOZHBMJI-LLVKDONJSA-N 1 1 304.325 2.851 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000353296474 428473790 /nfs/dbraw/zinc/47/37/90/428473790.db2.gz BUTXCHFMPMASPI-LBPRGKRZSA-N 1 1 324.356 2.730 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000344031990 428611690 /nfs/dbraw/zinc/61/16/90/428611690.db2.gz OBDWBSGCYRQIIF-YPMHNXCESA-N 1 1 303.362 2.654 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+]CC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353625577 428628592 /nfs/dbraw/zinc/62/85/92/428628592.db2.gz VYIAUJGWIMRHIO-AWEZNQCLSA-N 1 1 300.362 2.807 20 5 DFBDMO CS[C@H](C)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353633757 428630512 /nfs/dbraw/zinc/63/05/12/428630512.db2.gz TYPCEKOVIKUYQD-RISCZKNCSA-N 1 1 320.418 2.759 20 5 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317.389 2.602 20 5 DFBDMO Cc1nn(C)c(N[C@@H]2CC[N@H+](C3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000364268022 429174431 /nfs/dbraw/zinc/17/44/31/429174431.db2.gz SOXVMSNHXSAZKH-CYBMUJFWSA-N 1 1 321.425 2.846 20 5 DFBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000488746585 429194889 /nfs/dbraw/zinc/19/48/89/429194889.db2.gz NKYYYPVJVBENQF-COPLHBTASA-N 1 1 324.812 2.810 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488762573 429197282 /nfs/dbraw/zinc/19/72/82/429197282.db2.gz DJYUIFNSMMJMDN-OLZOCXBDSA-N 1 1 308.378 2.585 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364441054 429204290 /nfs/dbraw/zinc/20/42/90/429204290.db2.gz JDMVGPHGFXRLEZ-INIZCTEOSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364441054 429204294 /nfs/dbraw/zinc/20/42/94/429204294.db2.gz JDMVGPHGFXRLEZ-INIZCTEOSA-N 1 1 320.389 2.994 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000456159760 429251231 /nfs/dbraw/zinc/25/12/31/429251231.db2.gz HCCJVJOQFLQPFN-YPMHNXCESA-N 1 1 320.393 2.551 20 5 DFBDMO CCOc1cccc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425277836 429256414 /nfs/dbraw/zinc/25/64/14/429256414.db2.gz CVDIPGPUJPIJOB-GXTWGEPZSA-N 1 1 305.378 2.524 20 5 DFBDMO CCOc1cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425289990 429258602 /nfs/dbraw/zinc/25/86/02/429258602.db2.gz WFSMXROMMVLKQD-SWLSCSKDSA-N 1 1 305.378 2.524 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)cc1OC(F)F ZINC000489958624 429270218 /nfs/dbraw/zinc/27/02/18/429270218.db2.gz WYJPGLUUZCCARX-SNVBAGLBSA-N 1 1 324.287 2.820 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1NC[C@H]1CCCn3cc[nH+]c31)CCN2 ZINC000365553324 429340871 /nfs/dbraw/zinc/34/08/71/429340871.db2.gz XKZIYYOYXTXFCC-LLVKDONJSA-N 1 1 313.361 2.749 20 5 DFBDMO Cc1cc(C2=CC[N@@H+](C[C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1N ZINC000365884094 429395735 /nfs/dbraw/zinc/39/57/35/429395735.db2.gz IFMAIWFFUNYQQN-ZDUSSCGKSA-N 1 1 317.389 2.611 20 5 DFBDMO COC[C@H](C)[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365882079 429395953 /nfs/dbraw/zinc/39/59/53/429395953.db2.gz BKTRKDVZXBRQJW-LBPRGKRZSA-N 1 1 305.378 2.609 20 5 DFBDMO CC(=O)CC[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365885463 429396525 /nfs/dbraw/zinc/39/65/25/429396525.db2.gz NDHXTCZIVTXVGV-UHFFFAOYSA-N 1 1 303.362 2.554 20 5 DFBDMO COCC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426511056 429397243 /nfs/dbraw/zinc/39/72/43/429397243.db2.gz YEBWNHBDQUPXJC-SHRNQRGKSA-N 1 1 320.389 2.735 20 5 DFBDMO Cc1sc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457123627 429408068 /nfs/dbraw/zinc/40/80/68/429408068.db2.gz PJTATZDQZBVXKR-NSHDSACASA-N 1 1 311.407 2.519 20 5 DFBDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000449192874 429354307 /nfs/dbraw/zinc/35/43/07/429354307.db2.gz RRUODJYZMFWCLF-NEPJUHHUSA-N 1 1 302.378 2.778 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CCO ZINC000426230176 429373785 /nfs/dbraw/zinc/37/37/85/429373785.db2.gz KFYNYLAHALQFQX-CQSZACIVSA-N 1 1 308.378 2.729 20 5 DFBDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000366071440 429412203 /nfs/dbraw/zinc/41/22/03/429412203.db2.gz FNMILWVRPSYKNI-MRXNPFEDSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000366071440 429412206 /nfs/dbraw/zinc/41/22/06/429412206.db2.gz FNMILWVRPSYKNI-MRXNPFEDSA-N 1 1 300.362 2.974 20 5 DFBDMO C[C@@H]1C[N@H+](CCSCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000518563932 429426389 /nfs/dbraw/zinc/42/63/89/429426389.db2.gz ADVRPXWVEQQDCA-BETUJISGSA-N 1 1 310.419 2.937 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449679658 429476377 /nfs/dbraw/zinc/47/63/77/429476377.db2.gz AQOPYSSALZOYAR-QGZVFWFLSA-N 1 1 320.389 2.996 20 5 DFBDMO C[C@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519806664 429490907 /nfs/dbraw/zinc/49/09/07/429490907.db2.gz XPEKFSINBBNGGA-KBPBESRZSA-N 1 1 319.405 2.546 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429575687 429617740 /nfs/dbraw/zinc/61/77/40/429617740.db2.gz AFXHXWTVBFWMJX-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000429594130 429621375 /nfs/dbraw/zinc/62/13/75/429621375.db2.gz XEPLVXSUARFNLC-SWLSCSKDSA-N 1 1 305.378 2.678 20 5 DFBDMO CCOc1cc(C[NH2+][C@H](CO)c2ccsc2)ccc1[N+](=O)[O-] ZINC000492898705 429641166 /nfs/dbraw/zinc/64/11/66/429641166.db2.gz ZPWKMCHIOLMWSQ-CYBMUJFWSA-N 1 1 322.386 2.878 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000523068744 429599451 /nfs/dbraw/zinc/59/94/51/429599451.db2.gz NDEIFPIAMHRLCI-UHFFFAOYSA-N 1 1 319.405 2.850 20 5 DFBDMO Cc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)no1 ZINC000367273123 429609301 /nfs/dbraw/zinc/60/93/01/429609301.db2.gz AIOZVXYLLQPXKG-UHFFFAOYSA-N 1 1 320.324 2.805 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450363059 429610555 /nfs/dbraw/zinc/61/05/55/429610555.db2.gz UEUGVCQZMIYYOW-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450375777 429611759 /nfs/dbraw/zinc/61/17/59/429611759.db2.gz FMPCDRWMSLXYSE-MLGOLLRUSA-N 1 1 314.389 3.284 20 5 DFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218482 429662499 /nfs/dbraw/zinc/66/24/99/429662499.db2.gz LZDKXKHZYOTPEY-LSDHHAIUSA-N 1 1 308.378 2.729 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCCO)CC(C)(C)C ZINC000430215884 429662640 /nfs/dbraw/zinc/66/26/40/429662640.db2.gz DDAOIPFAGQWNGQ-UHFFFAOYSA-N 1 1 310.394 2.834 20 5 DFBDMO COc1ccc(OCC[N@@H+]2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430279926 429671916 /nfs/dbraw/zinc/67/19/16/429671916.db2.gz NTZWOXFFBHGOQK-LBPRGKRZSA-N 1 1 306.362 2.880 20 5 DFBDMO CC1=C[C@H](C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430284500 429673855 /nfs/dbraw/zinc/67/38/55/429673855.db2.gz MLFBFDKSKNWEHO-BLLLJJGKSA-N 1 1 315.373 2.598 20 5 DFBDMO CC1=C[C@H](C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430284500 429673859 /nfs/dbraw/zinc/67/38/59/429673859.db2.gz MLFBFDKSKNWEHO-BLLLJJGKSA-N 1 1 315.373 2.598 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176248952 276168836 /nfs/dbraw/zinc/16/88/36/276168836.db2.gz ASJOVGGNYVZGJQ-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]21 ZINC000450784561 429699188 /nfs/dbraw/zinc/69/91/88/429699188.db2.gz BZOJDDAZCAXIRU-RNCFNFMXSA-N 1 1 315.295 2.754 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188027416 276373203 /nfs/dbraw/zinc/37/32/03/276373203.db2.gz DZWUXBRPCSRZKT-LLVKDONJSA-N 1 1 323.418 2.531 20 5 DFBDMO CCOc1cccc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000292809921 276381349 /nfs/dbraw/zinc/38/13/49/276381349.db2.gz OAVBXVMDJALPGP-KRWDZBQOSA-N 1 1 319.405 2.916 20 5 DFBDMO CCOc1cccc(N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000273125806 276381380 /nfs/dbraw/zinc/38/13/80/276381380.db2.gz ANQKIGGWVZONFB-CYBMUJFWSA-N 1 1 305.378 2.668 20 5 DFBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000470857439 429711355 /nfs/dbraw/zinc/71/13/55/429711355.db2.gz CRVBLLSIKJFWHM-CQSZACIVSA-N 1 1 306.410 3.365 20 5 DFBDMO CCN1CC[NH+](CC(C)(C)Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000450924122 429730229 /nfs/dbraw/zinc/73/02/29/429730229.db2.gz SRDLXODHTGMUHG-UHFFFAOYSA-N 1 1 320.437 2.731 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000432149852 429804514 /nfs/dbraw/zinc/80/45/14/429804514.db2.gz YYSXEICIERYWON-KRWDZBQOSA-N 1 1 312.373 2.675 20 5 DFBDMO Cc1c(CN2CC[N@H+](C3CC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000451084410 429764287 /nfs/dbraw/zinc/76/42/87/429764287.db2.gz RGNCDSLZKFNHFI-CYBMUJFWSA-N 1 1 303.406 2.819 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CF)CC1 ZINC000451388803 429821637 /nfs/dbraw/zinc/82/16/37/429821637.db2.gz MPSITYYDJZLYHR-LLVKDONJSA-N 1 1 309.341 2.603 20 5 DFBDMO CC(C)NC(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545978 429850024 /nfs/dbraw/zinc/85/00/24/429850024.db2.gz IKVLEAJZJJDLJO-HNNXBMFYSA-N 1 1 319.405 2.689 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000368564950 429868101 /nfs/dbraw/zinc/86/81/01/429868101.db2.gz YECRJOOTZVKOEN-RYUDHWBXSA-N 1 1 310.785 2.706 20 5 DFBDMO CSC1(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000368225224 429810873 /nfs/dbraw/zinc/81/08/73/429810873.db2.gz GYRMLLQJKXVFEJ-LBPRGKRZSA-N 1 1 310.423 2.714 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+](C2CC2)CC1 ZINC000368676317 429886178 /nfs/dbraw/zinc/88/61/78/429886178.db2.gz BOLGSGCOYILICV-UHFFFAOYSA-N 1 1 323.780 2.559 20 5 DFBDMO C[C@@H]1CSc2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000369011539 429907698 /nfs/dbraw/zinc/90/76/98/429907698.db2.gz UPHUWIQWELZZDB-GFCCVEGCSA-N 1 1 318.402 2.788 20 5 DFBDMO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000369273339 429922066 /nfs/dbraw/zinc/92/20/66/429922066.db2.gz GQRSLRBCMUMJGC-MRXNPFEDSA-N 1 1 317.389 2.572 20 5 DFBDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000369273339 429922067 /nfs/dbraw/zinc/92/20/67/429922067.db2.gz GQRSLRBCMUMJGC-MRXNPFEDSA-N 1 1 317.389 2.572 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1 ZINC000451695886 429873353 /nfs/dbraw/zinc/87/33/53/429873353.db2.gz AKUVFULAUGVODG-BFYDXBDKSA-N 1 1 304.390 2.620 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000558658687 429983518 /nfs/dbraw/zinc/98/35/18/429983518.db2.gz NXZWWVNCCMWCOA-CQSZACIVSA-N 1 1 321.421 2.813 20 5 DFBDMO CN(C)c1cc[nH+]c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000301784106 276890401 /nfs/dbraw/zinc/89/04/01/276890401.db2.gz OPMWBOPEFZWENX-UHFFFAOYSA-N 1 1 313.361 2.620 20 5 DFBDMO C[C@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000560646061 430060637 /nfs/dbraw/zinc/06/06/37/430060637.db2.gz LLVXMMPVJMSDTF-SECBINFHSA-N 1 1 311.769 2.917 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000581026472 430172016 /nfs/dbraw/zinc/17/20/16/430172016.db2.gz DNURRPFLVQRMBB-STQMWFEESA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000581026471 430172265 /nfs/dbraw/zinc/17/22/65/430172265.db2.gz DNURRPFLVQRMBB-QWHCGFSZSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580547156 430132336 /nfs/dbraw/zinc/13/23/36/430132336.db2.gz WCTOMCHIMLARJI-ABAIWWIYSA-N 1 1 316.405 2.763 20 5 DFBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093360919 277007496 /nfs/dbraw/zinc/00/74/96/277007496.db2.gz NKUSGWNHDUADFS-CQSZACIVSA-N 1 1 319.405 2.676 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000581349379 430198773 /nfs/dbraw/zinc/19/87/73/430198773.db2.gz ZGPGBQMEDNGDKZ-GFCCVEGCSA-N 1 1 307.394 2.912 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000582087891 430267670 /nfs/dbraw/zinc/26/76/70/430267670.db2.gz GOWSSVFUXRPWKN-UHFFFAOYSA-N 1 1 302.334 2.711 20 5 DFBDMO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2ccccn21 ZINC000567178710 430279914 /nfs/dbraw/zinc/27/99/14/430279914.db2.gz NUCCJZDSQHIXNN-BXUZGUMPSA-N 1 1 323.356 2.976 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000544438891 430283159 /nfs/dbraw/zinc/28/31/59/430283159.db2.gz GUIQYSHAVIZARD-JKSUJKDBSA-N 1 1 322.405 2.703 20 5 DFBDMO C[C@@]1(CO)CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000545398671 430317813 /nfs/dbraw/zinc/31/78/13/430317813.db2.gz XUBLLKCRAVSUJB-INIZCTEOSA-N 1 1 317.345 2.597 20 5 DFBDMO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568342793 430347448 /nfs/dbraw/zinc/34/74/48/430347448.db2.gz FLAPYKDHOTYDPT-YDHLFZDLSA-N 1 1 319.405 2.639 20 5 DFBDMO C[N@@H+]1CCO[C@H](CSc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000569599312 430470481 /nfs/dbraw/zinc/47/04/81/430470481.db2.gz GCZOKCRVISWKNM-NSHDSACASA-N 1 1 319.386 2.566 20 5 DFBDMO C[N@H+]1CCO[C@H](CSc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000569599312 430470485 /nfs/dbraw/zinc/47/04/85/430470485.db2.gz GCZOKCRVISWKNM-NSHDSACASA-N 1 1 319.386 2.566 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000548416229 430473542 /nfs/dbraw/zinc/47/35/42/430473542.db2.gz JLISQZFAWUKERE-LLVKDONJSA-N 1 1 324.356 2.586 20 5 DFBDMO CC(C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CC1 ZINC000583765898 430428345 /nfs/dbraw/zinc/42/83/45/430428345.db2.gz KUCUPIRWPDHWFB-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596308452 430513173 /nfs/dbraw/zinc/51/31/73/430513173.db2.gz SLVPHFWZGHWBPT-AWEZNQCLSA-N 1 1 314.389 3.428 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CC1CC1)C(C)C ZINC000549558737 430527041 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DFBDMO Cc1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000120599250 281259158 /nfs/dbraw/zinc/25/91/58/281259158.db2.gz KDBVDPMWPOPCCZ-AWEZNQCLSA-N 1 1 319.405 2.593 20 5 DFBDMO CC[N@@H+](CC(C)C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000153755080 289058720 /nfs/dbraw/zinc/05/87/20/289058720.db2.gz KZFOSMHKMQCHHI-HNNXBMFYSA-N 1 1 305.378 2.678 20 5 DFBDMO Cc1c(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363407274 289089121 /nfs/dbraw/zinc/08/91/21/289089121.db2.gz VNXSSWZVGVSKHO-CHWSQXEVSA-N 1 1 318.377 2.652 20 5 DFBDMO O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414218 289092027 /nfs/dbraw/zinc/09/20/27/289092027.db2.gz LGTVOVNXDVZNSX-VYDXJSESSA-N 1 1 301.390 2.511 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000443308100 297218995 /nfs/dbraw/zinc/21/89/95/297218995.db2.gz JMLFGOGDOPKMCI-HUBLWGQQSA-N 1 1 308.378 2.585 20 5 DFBDMO Cc1sc(C(=O)N2CC[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000269177458 294070011 /nfs/dbraw/zinc/07/00/11/294070011.db2.gz MYVWLYXCHZPZDQ-UHFFFAOYSA-N 1 1 317.370 2.715 20 5 DFBDMO CC(C)[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438487011 297095289 /nfs/dbraw/zinc/09/52/89/297095289.db2.gz CXRRRAOWQUKBNF-XJKSGUPXSA-N 1 1 317.389 2.678 20 5 DFBDMO COc1ccc(OCC[N@@H+](C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000441239412 297177132 /nfs/dbraw/zinc/17/71/32/297177132.db2.gz OPAYBUJIMFVIDU-UHFFFAOYSA-N 1 1 306.318 2.707 20 5 DFBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000443638444 297223535 /nfs/dbraw/zinc/22/35/35/297223535.db2.gz ANWJHNHOIIIJPV-YCPHGPKFSA-N 1 1 322.405 2.703 20 5 DFBDMO CCOC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444647665 297243105 /nfs/dbraw/zinc/24/31/05/297243105.db2.gz LOGUZHUSGVGVJE-GFCCVEGCSA-N 1 1 318.377 2.720 20 5 DFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444647665 297243106 /nfs/dbraw/zinc/24/31/06/297243106.db2.gz LOGUZHUSGVGVJE-GFCCVEGCSA-N 1 1 318.377 2.720 20 5 DFBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(C)(F)F ZINC000449413115 297461683 /nfs/dbraw/zinc/46/16/83/297461683.db2.gz HUWRPAPONOSDKA-ZJUUUORDSA-N 1 1 315.320 2.945 20 5 DFBDMO CCC[N@@H+](C)CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452857541 298035386 /nfs/dbraw/zinc/03/53/86/298035386.db2.gz QZFBPEDOXPGTDN-OAHLLOKOSA-N 1 1 319.405 2.643 20 5 DFBDMO CC(C)CN(Cc1cnn(C)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000453612256 298105671 /nfs/dbraw/zinc/10/56/71/298105671.db2.gz AQBHMDFUVJIHCE-UHFFFAOYSA-N 1 1 318.377 2.692 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454321048 298155087 /nfs/dbraw/zinc/15/50/87/298155087.db2.gz JGRIMCPQPMLWCB-LLVKDONJSA-N 1 1 324.356 2.682 20 5 DFBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000507166827 300233657 /nfs/dbraw/zinc/23/36/57/300233657.db2.gz FPUFYDNSRJYEKE-UHFFFAOYSA-N 1 1 316.304 2.807 20 5 DFBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000507166827 300233659 /nfs/dbraw/zinc/23/36/59/300233659.db2.gz FPUFYDNSRJYEKE-UHFFFAOYSA-N 1 1 316.304 2.807 20 5 DFBDMO CC(C)Oc1nc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000515870110 300324014 /nfs/dbraw/zinc/32/40/14/300324014.db2.gz RMCQCZPFHHQLDD-CQSZACIVSA-N 1 1 322.409 2.553 20 5 DFBDMO C[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000517480784 300396943 /nfs/dbraw/zinc/39/69/43/300396943.db2.gz UXILFTAABZRXLU-KGLIPLIRSA-N 1 1 319.405 2.546 20 5 DFBDMO CCOc1ccc([C@@H](C)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536625689 301283829 /nfs/dbraw/zinc/28/38/29/301283829.db2.gz YGYUZRPLLAFTOU-ZIAGYGMSSA-N 1 1 321.421 2.986 20 5 DFBDMO CCOc1ccc([C@@H](C)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536625689 301283830 /nfs/dbraw/zinc/28/38/30/301283830.db2.gz YGYUZRPLLAFTOU-ZIAGYGMSSA-N 1 1 321.421 2.986 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000545457647 301475596 /nfs/dbraw/zinc/47/55/96/301475596.db2.gz LOWFHERFWUGVOM-LBPRGKRZSA-N 1 1 311.345 2.797 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000563590066 302084561 /nfs/dbraw/zinc/08/45/61/302084561.db2.gz NSHFMIAAEZWMDZ-OAHLLOKOSA-N 1 1 313.357 2.858 20 5 DFBDMO [NH3+][C@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000563820622 302100796 /nfs/dbraw/zinc/10/07/96/302100796.db2.gz IZHFDTPMEZOPTN-NWDGAFQWSA-N 1 1 317.311 2.973 20 5 DFBDMO CC1CC[NH+](CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000564737108 302155402 /nfs/dbraw/zinc/15/54/02/302155402.db2.gz DLOPCLBJHZAYFC-MRXNPFEDSA-N 1 1 303.406 2.904 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565573602 302230227 /nfs/dbraw/zinc/23/02/27/302230227.db2.gz PFCAVDFAXBAYIG-CYBMUJFWSA-N 1 1 307.394 2.546 20 5 DFBDMO CC(C)O[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000567467937 302361656 /nfs/dbraw/zinc/36/16/56/302361656.db2.gz WQIZUAPEYIGGMW-GFCCVEGCSA-N 1 1 305.334 2.735 20 5 DFBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000567467937 302361658 /nfs/dbraw/zinc/36/16/58/302361658.db2.gz WQIZUAPEYIGGMW-GFCCVEGCSA-N 1 1 305.334 2.735 20 5 DFBDMO CC1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182178590 316088635 /nfs/dbraw/zinc/08/86/35/316088635.db2.gz MGUPZOCDBGMJQI-YMAMQOFZSA-N 1 1 322.405 2.845 20 5 DFBDMO CC1CCC([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182178571 316089221 /nfs/dbraw/zinc/08/92/21/316089221.db2.gz MGUPZOCDBGMJQI-NRXISQOPSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000446485073 317012590 /nfs/dbraw/zinc/01/25/90/317012590.db2.gz MNNFKJMCMQXMEO-UHFFFAOYSA-N 1 1 318.377 2.677 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000446730117 317020790 /nfs/dbraw/zinc/02/07/90/317020790.db2.gz ULGOEZFIGIXMOB-ZDUSSCGKSA-N 1 1 308.378 2.960 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(F)c1 ZINC000449558109 317044055 /nfs/dbraw/zinc/04/40/55/317044055.db2.gz VUTHZIUQLRNAOL-XUJVJEKNSA-N 1 1 308.353 2.717 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449559471 317044418 /nfs/dbraw/zinc/04/44/18/317044418.db2.gz YKLKFPHUWJZYCX-FRFSOERESA-N 1 1 304.390 2.886 20 5 DFBDMO CC(C)[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000487995561 317358156 /nfs/dbraw/zinc/35/81/56/317358156.db2.gz AJRFKMYLKJQHJU-KRWDZBQOSA-N 1 1 321.421 2.636 20 5 DFBDMO CC(C)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487995561 317358160 /nfs/dbraw/zinc/35/81/60/317358160.db2.gz AJRFKMYLKJQHJU-KRWDZBQOSA-N 1 1 321.421 2.636 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487995561 317358164 /nfs/dbraw/zinc/35/81/64/317358164.db2.gz AJRFKMYLKJQHJU-KRWDZBQOSA-N 1 1 321.421 2.636 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnnn2Cc2ccccc2)cc1 ZINC000490557149 317523775 /nfs/dbraw/zinc/52/37/75/317523775.db2.gz PHSMNOSYALROAA-UHFFFAOYSA-N 1 1 323.356 2.524 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1sccc1C ZINC000494626635 317661405 /nfs/dbraw/zinc/66/14/05/317661405.db2.gz ROVKYJAMAUCPKS-ZDUSSCGKSA-N 1 1 322.386 2.797 20 5 DFBDMO C[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000576296041 318117175 /nfs/dbraw/zinc/11/71/75/318117175.db2.gz ZECYIBYIUQJKLH-KBPBESRZSA-N 1 1 319.405 2.689 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000579706133 318348889 /nfs/dbraw/zinc/34/88/89/318348889.db2.gz YBRAIXJHDBKVOL-CJNGLKHVSA-N 1 1 320.389 2.994 20 5 DFBDMO COCCOCC[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000579893035 318360756 /nfs/dbraw/zinc/36/07/56/318360756.db2.gz PBGPIMJJXBDALG-SDNWHVSQSA-N 1 1 308.378 2.593 20 5 DFBDMO CC[N@H+]1CC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000385467281 323310821 /nfs/dbraw/zinc/31/08/21/323310821.db2.gz BJMDVTVWOGYSRC-SNVBAGLBSA-N 1 1 314.183 2.863 20 5 DFBDMO C[C@@]1(O)CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000177991460 333134105 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2.718 20 5 DFBDMO CC(=O)c1ccc(N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000321671144 527289057 /nfs/dbraw/zinc/28/90/57/527289057.db2.gz HTGRNOCECFLEEV-IUODEOHRSA-N 1 1 317.389 2.860 20 5 DFBDMO CC(=O)c1ccc(N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000321671144 527289060 /nfs/dbraw/zinc/28/90/60/527289060.db2.gz HTGRNOCECFLEEV-IUODEOHRSA-N 1 1 317.389 2.860 20 5 DFBDMO Cn1cc([C@@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000128383081 527300500 /nfs/dbraw/zinc/30/05/00/527300500.db2.gz IRLIXBSZORJYIT-CSPWOOARSA-N 1 1 312.373 2.831 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000157399030 527414747 /nfs/dbraw/zinc/41/47/47/527414747.db2.gz VLYCHQGYQRYRNQ-KRWDZBQOSA-N 1 1 323.356 2.566 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873533 527835747 /nfs/dbraw/zinc/83/57/47/527835747.db2.gz SJDALFMOOGBSNN-ZFWWWQNUSA-N 1 1 321.421 2.908 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302036718 527981125 /nfs/dbraw/zinc/98/11/25/527981125.db2.gz MDXPNBQRLQXENQ-CQSZACIVSA-N 1 1 307.394 2.619 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305761156 528210789 /nfs/dbraw/zinc/21/07/89/528210789.db2.gz KVBPCNBRWLEKLA-IUODEOHRSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305761156 528210793 /nfs/dbraw/zinc/21/07/93/528210793.db2.gz KVBPCNBRWLEKLA-IUODEOHRSA-N 1 1 308.378 2.585 20 5 DFBDMO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000330752222 528423894 /nfs/dbraw/zinc/42/38/94/528423894.db2.gz ILYJNDTWPBZBMR-JSGCOSHPSA-N 1 1 305.378 2.646 20 5 DFBDMO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000330752222 528423896 /nfs/dbraw/zinc/42/38/96/528423896.db2.gz ILYJNDTWPBZBMR-JSGCOSHPSA-N 1 1 305.378 2.646 20 5 DFBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000299345573 529013659 /nfs/dbraw/zinc/01/36/59/529013659.db2.gz FUTUAJWLADMNEU-NSHDSACASA-N 1 1 311.407 2.507 20 5 DFBDMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294572548 529089853 /nfs/dbraw/zinc/08/98/53/529089853.db2.gz BXTZUGKUVRRBSU-XUJVJEKNSA-N 1 1 306.410 2.556 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294572548 529089857 /nfs/dbraw/zinc/08/98/57/529089857.db2.gz BXTZUGKUVRRBSU-XUJVJEKNSA-N 1 1 306.410 2.556 20 5 DFBDMO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000294570559 529105993 /nfs/dbraw/zinc/10/59/93/529105993.db2.gz BXTZUGKUVRRBSU-HUBLWGQQSA-N 1 1 306.410 2.556 20 5 DFBDMO CC(C)[N@@H+]1C[C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000294570559 529105998 /nfs/dbraw/zinc/10/59/98/529105998.db2.gz BXTZUGKUVRRBSU-HUBLWGQQSA-N 1 1 306.410 2.556 20 5 DFBDMO CCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000250430892 535121572 /nfs/dbraw/zinc/12/15/72/535121572.db2.gz ITSIMHYOYYPWHN-HIFRSBDPSA-N 1 1 319.405 2.894 20 5 DFBDMO CN(C(=O)C[N@@H+](CC1CC1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000361587729 535982689 /nfs/dbraw/zinc/98/26/89/535982689.db2.gz WQKWIFPDVHTWBF-UHFFFAOYSA-N 1 1 317.389 2.822 20 5 DFBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000355447106 536306657 /nfs/dbraw/zinc/30/66/57/536306657.db2.gz YORHGOWWSSDNSX-UHFFFAOYSA-N 1 1 319.283 2.808 20 5 DFBDMO COc1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000237271534 536894225 /nfs/dbraw/zinc/89/42/25/536894225.db2.gz BDOBQGOHQXVHNT-UHFFFAOYSA-N 1 1 312.329 2.541 20 5 DFBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])c(F)c4)[C@H]1[C@H]3C2 ZINC000286534409 219040571 /nfs/dbraw/zinc/04/05/71/219040571.db2.gz NXBPNHHFKTWEQI-PVIIJVKYSA-N 1 1 306.337 2.589 20 5 DFBDMO Cc1ccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459272807 299071634 /nfs/dbraw/zinc/07/16/34/299071634.db2.gz XUFWXJNGGYDYEF-CYBMUJFWSA-N 1 1 320.393 2.757 20 5 DFBDMO CC1CCC([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078991286 185142205 /nfs/dbraw/zinc/14/22/05/185142205.db2.gz CCJWODRNFDQDHW-XUJLQICISA-N 1 1 322.405 2.845 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000317001693 231157464 /nfs/dbraw/zinc/15/74/64/231157464.db2.gz SYDINFWNXIUPPW-TZMCWYRMSA-N 1 1 307.369 2.793 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000319354739 231183816 /nfs/dbraw/zinc/18/38/16/231183816.db2.gz WECMEXDHRFHEBV-GVDBMIGSSA-N 1 1 304.390 2.763 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000322601530 231212724 /nfs/dbraw/zinc/21/27/24/231212724.db2.gz MVOVPMZRSZLTME-FMKPAKJESA-N 1 1 320.389 2.729 20 5 DFBDMO CCc1cc(NCCNc2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000302073303 529555663 /nfs/dbraw/zinc/55/56/63/529555663.db2.gz ZTAFNSMSNYRRRN-UHFFFAOYSA-N 1 1 301.350 2.780 20 5 DFBDMO Cc1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000008351037 398371929 /nfs/dbraw/zinc/37/19/29/398371929.db2.gz HEQNPXABHVCMSE-CQSZACIVSA-N 1 1 319.405 2.898 20 5 DFBDMO COc1cc(N(C)C[C@H]2CCC[N@H+]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596279774 398375576 /nfs/dbraw/zinc/37/55/76/398375576.db2.gz WFNBHWAYLVPGRZ-SNVBAGLBSA-N 1 1 313.785 2.787 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596307718 398381567 /nfs/dbraw/zinc/38/15/67/398381567.db2.gz DBSXUTDUYUEWJR-NSHDSACASA-N 1 1 304.394 2.848 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000596307758 398381596 /nfs/dbraw/zinc/38/15/96/398381596.db2.gz OYZJHVJRYLHGNR-JTQLQIEISA-N 1 1 323.422 2.836 20 5 DFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCc1c(F)cccc1F)CC2 ZINC000592096681 398383139 /nfs/dbraw/zinc/38/31/39/398383139.db2.gz BCHAWMPMBOZTIN-UHFFFAOYSA-N 1 1 319.311 2.869 20 5 DFBDMO CCOC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169148 398383688 /nfs/dbraw/zinc/38/36/88/398383688.db2.gz DLYDCPUKDNIPRQ-UHFFFAOYSA-N 1 1 305.334 2.737 20 5 DFBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCOC1 ZINC000083173589 398384633 /nfs/dbraw/zinc/38/46/33/398384633.db2.gz HBVPWXIJYARKQT-NSHDSACASA-N 1 1 305.334 2.594 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000596335734 398389227 /nfs/dbraw/zinc/38/92/27/398389227.db2.gz HRTMLMHSGGIHIK-NSHDSACASA-N 1 1 315.377 2.823 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596359333 398394990 /nfs/dbraw/zinc/39/49/90/398394990.db2.gz AMVAECSSVFFUFC-AWEZNQCLSA-N 1 1 308.426 2.587 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000596361446 398394733 /nfs/dbraw/zinc/39/47/33/398394733.db2.gz STVNVGHNXXLAFZ-AWEZNQCLSA-N 1 1 308.426 2.587 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000596361446 398394739 /nfs/dbraw/zinc/39/47/39/398394739.db2.gz STVNVGHNXXLAFZ-AWEZNQCLSA-N 1 1 308.426 2.587 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CCO)c1ccccc1F ZINC000592162225 398394747 /nfs/dbraw/zinc/39/47/47/398394747.db2.gz VOZURGGFSHETOC-OAHLLOKOSA-N 1 1 304.321 2.947 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596359333 398394986 /nfs/dbraw/zinc/39/49/86/398394986.db2.gz AMVAECSSVFFUFC-AWEZNQCLSA-N 1 1 308.426 2.587 20 5 DFBDMO C[N@@H+](CCc1ccncc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000181473757 199303496 /nfs/dbraw/zinc/30/34/96/199303496.db2.gz NCHQNSMCJKSFLM-UHFFFAOYSA-N 1 1 312.329 2.806 20 5 DFBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181444716 199297645 /nfs/dbraw/zinc/29/76/45/199297645.db2.gz DMVOOXULOSJECX-RYUDHWBXSA-N 1 1 321.377 2.571 20 5 DFBDMO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272811348 210212974 /nfs/dbraw/zinc/21/29/74/210212974.db2.gz HAPOZWQPWAVSGI-CQSZACIVSA-N 1 1 314.389 2.982 20 5 DFBDMO CC[N@@H+](CCSC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592205448 398402172 /nfs/dbraw/zinc/40/21/72/398402172.db2.gz ZGOYEOBZQHMAIR-UHFFFAOYSA-N 1 1 311.407 2.608 20 5 DFBDMO CC[N@@H+](CCSC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592204045 398402535 /nfs/dbraw/zinc/40/25/35/398402535.db2.gz QXOSDXQGJZENSA-UHFFFAOYSA-N 1 1 311.407 2.608 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596437563 398412322 /nfs/dbraw/zinc/41/23/22/398412322.db2.gz WSEPQLHLCMGYDK-CYBMUJFWSA-N 1 1 306.366 2.543 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596448377 398415075 /nfs/dbraw/zinc/41/50/75/398415075.db2.gz XTCYWKGMFIXCPS-SNVBAGLBSA-N 1 1 324.356 2.728 20 5 DFBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](CC)C1 ZINC000596458937 398417926 /nfs/dbraw/zinc/41/79/26/398417926.db2.gz YIAAVCDCYHVAOF-GFCCVEGCSA-N 1 1 324.356 2.682 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000585796347 398447811 /nfs/dbraw/zinc/44/78/11/398447811.db2.gz RJEYUUBKJYWONN-KGLIPLIRSA-N 1 1 319.405 2.942 20 5 DFBDMO Cc1ccnc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570377 398450039 /nfs/dbraw/zinc/45/00/39/398450039.db2.gz JCRXJMLMBAHEJH-CQSZACIVSA-N 1 1 304.394 2.832 20 5 DFBDMO CO[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000586769149 398455866 /nfs/dbraw/zinc/45/58/66/398455866.db2.gz VRXSSBNENPKVEJ-LLVKDONJSA-N 1 1 300.305 2.874 20 5 DFBDMO CO[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000586769149 398455869 /nfs/dbraw/zinc/45/58/69/398455869.db2.gz VRXSSBNENPKVEJ-LLVKDONJSA-N 1 1 300.305 2.874 20 5 DFBDMO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000596599782 398458201 /nfs/dbraw/zinc/45/82/01/398458201.db2.gz ZFYAXUWELIZNDS-UHFFFAOYSA-N 1 1 314.389 2.913 20 5 DFBDMO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000596599782 398458203 /nfs/dbraw/zinc/45/82/03/398458203.db2.gz ZFYAXUWELIZNDS-UHFFFAOYSA-N 1 1 314.389 2.913 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000016484712 282371288 /nfs/dbraw/zinc/37/12/88/282371288.db2.gz OUBDHVCHGSHIGS-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000016484712 282371290 /nfs/dbraw/zinc/37/12/90/282371290.db2.gz OUBDHVCHGSHIGS-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO COC[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089908214 398469463 /nfs/dbraw/zinc/46/94/63/398469463.db2.gz SKJZPWCDOAWGCE-OAHLLOKOSA-N 1 1 317.345 2.861 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000587935468 398472636 /nfs/dbraw/zinc/47/26/36/398472636.db2.gz WGPJQGCPVXKEMJ-UHFFFAOYSA-N 1 1 304.325 2.916 20 5 DFBDMO O=C(CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181741617 199346344 /nfs/dbraw/zinc/34/63/44/199346344.db2.gz JAJIKCVYVNWBID-TXEJJXNPSA-N 1 1 321.352 2.794 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3c[nH+]cn3C2)cc1OC(F)F ZINC000588067654 398480127 /nfs/dbraw/zinc/48/01/27/398480127.db2.gz GXTHNGCPEQULIP-JTQLQIEISA-N 1 1 324.287 2.820 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000068334814 398496590 /nfs/dbraw/zinc/49/65/90/398496590.db2.gz WDSFDQZEGYCTIU-LLVKDONJSA-N 1 1 309.366 2.518 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)CCc2ccccc2)cs1 ZINC000304066788 398500716 /nfs/dbraw/zinc/50/07/16/398500716.db2.gz UCAXRXGPPIAJFA-UHFFFAOYSA-N 1 1 306.387 2.693 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+](CCO)CCc2ccccc2)cs1 ZINC000304066788 398500719 /nfs/dbraw/zinc/50/07/19/398500719.db2.gz UCAXRXGPPIAJFA-UHFFFAOYSA-N 1 1 306.387 2.693 20 5 DFBDMO C[C@@H](C1CC1)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000030971270 398508563 /nfs/dbraw/zinc/50/85/63/398508563.db2.gz IUBHEKFAKHETML-JTQLQIEISA-N 1 1 302.334 2.875 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1 ZINC000593013664 398520414 /nfs/dbraw/zinc/52/04/14/398520414.db2.gz LESBBKJBGFGUAE-GHMZBOCLSA-N 1 1 324.402 2.707 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCS[C@H](C)[C@H]2C)c1 ZINC000593013664 398520416 /nfs/dbraw/zinc/52/04/16/398520416.db2.gz LESBBKJBGFGUAE-GHMZBOCLSA-N 1 1 324.402 2.707 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000596912149 398528862 /nfs/dbraw/zinc/52/88/62/398528862.db2.gz BSADLQGHBXEWBZ-AWEZNQCLSA-N 1 1 320.393 2.715 20 5 DFBDMO C[C@@H](CSc1ccccc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000593045394 398529751 /nfs/dbraw/zinc/52/97/51/398529751.db2.gz IPVLIHXJKTUZGX-ZDUSSCGKSA-N 1 1 320.418 2.904 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000091457506 398530079 /nfs/dbraw/zinc/53/00/79/398530079.db2.gz WQIWWDSPRDJDII-NSHDSACASA-N 1 1 311.357 2.886 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593053477 398532322 /nfs/dbraw/zinc/53/23/22/398532322.db2.gz USKYEJIOIJQEFY-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593053477 398532325 /nfs/dbraw/zinc/53/23/25/398532325.db2.gz USKYEJIOIJQEFY-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000593054920 398532491 /nfs/dbraw/zinc/53/24/91/398532491.db2.gz HRNOJKKOALFGPR-CQSZACIVSA-N 1 1 308.378 2.993 20 5 DFBDMO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593059726 398535153 /nfs/dbraw/zinc/53/51/53/398535153.db2.gz SNPIVWBVMRPITA-ZDUSSCGKSA-N 1 1 308.378 2.993 20 5 DFBDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593059726 398535155 /nfs/dbraw/zinc/53/51/55/398535155.db2.gz SNPIVWBVMRPITA-ZDUSSCGKSA-N 1 1 308.378 2.993 20 5 DFBDMO Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000032730334 398536103 /nfs/dbraw/zinc/53/61/03/398536103.db2.gz IZJDYDOSOCDTGC-KGLIPLIRSA-N 1 1 319.405 2.896 20 5 DFBDMO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593069159 398537795 /nfs/dbraw/zinc/53/77/95/398537795.db2.gz HFURTSQLGQWKLY-LBPRGKRZSA-N 1 1 312.341 2.743 20 5 DFBDMO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593069159 398537799 /nfs/dbraw/zinc/53/77/99/398537799.db2.gz HFURTSQLGQWKLY-LBPRGKRZSA-N 1 1 312.341 2.743 20 5 DFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206501 398538016 /nfs/dbraw/zinc/53/80/16/398538016.db2.gz OVHDIQGNISMXBA-CZUORRHYSA-N 1 1 307.369 2.650 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnn3c2CCC3)C2CC2)c1 ZINC000596979031 398539290 /nfs/dbraw/zinc/53/92/90/398539290.db2.gz FLVWURKYLLGKSG-UHFFFAOYSA-N 1 1 312.373 2.902 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnn3c2CCC3)C2CC2)c1 ZINC000596979031 398539294 /nfs/dbraw/zinc/53/92/94/398539294.db2.gz FLVWURKYLLGKSG-UHFFFAOYSA-N 1 1 312.373 2.902 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000318797460 398539550 /nfs/dbraw/zinc/53/95/50/398539550.db2.gz ZTIRWSQKUGJVAI-LLVKDONJSA-N 1 1 303.366 2.680 20 5 DFBDMO C[C@@H](c1ccco1)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000069067076 398545827 /nfs/dbraw/zinc/54/58/27/398545827.db2.gz RLKDJYOVAHCRMO-JSGCOSHPSA-N 1 1 320.345 2.621 20 5 DFBDMO CC1(CO)C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000459618359 299149006 /nfs/dbraw/zinc/14/90/06/299149006.db2.gz DWSCCQAMULFZEV-UHFFFAOYSA-N 1 1 302.330 2.669 20 5 DFBDMO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C1CC1 ZINC000589517596 398558718 /nfs/dbraw/zinc/55/87/18/398558718.db2.gz LLRRZUSPKSQPLK-MRXNPFEDSA-N 1 1 318.373 2.986 20 5 DFBDMO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C1CC1 ZINC000589517596 398558724 /nfs/dbraw/zinc/55/87/24/398558724.db2.gz LLRRZUSPKSQPLK-MRXNPFEDSA-N 1 1 318.373 2.986 20 5 DFBDMO CC(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000589744586 398574187 /nfs/dbraw/zinc/57/41/87/398574187.db2.gz WIPGPJCGLPVRLJ-HNNXBMFYSA-N 1 1 308.378 2.863 20 5 DFBDMO CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000092657437 398591205 /nfs/dbraw/zinc/59/12/05/398591205.db2.gz QWNADEZNYDDWCB-NSHDSACASA-N 1 1 315.320 2.727 20 5 DFBDMO Cc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000590146288 398600193 /nfs/dbraw/zinc/60/01/93/398600193.db2.gz MNLAOYKWOMQVSB-BETUJISGSA-N 1 1 314.389 2.980 20 5 DFBDMO Cc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000590146288 398600196 /nfs/dbraw/zinc/60/01/96/398600196.db2.gz MNLAOYKWOMQVSB-BETUJISGSA-N 1 1 314.389 2.980 20 5 DFBDMO COc1cc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)ccc1[N+](=O)[O-] ZINC000459683306 299164539 /nfs/dbraw/zinc/16/45/39/299164539.db2.gz TXYFLKQRTIJDFO-DZGCQCFKSA-N 1 1 318.373 2.604 20 5 DFBDMO CC[C@H]1CCCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000150741130 186061838 /nfs/dbraw/zinc/06/18/38/186061838.db2.gz DNYLXQKIFLCXMG-AWEZNQCLSA-N 1 1 305.378 2.848 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000590549975 398630676 /nfs/dbraw/zinc/63/06/76/398630676.db2.gz JMTQEFKUMFSELJ-UHFFFAOYSA-N 1 1 305.378 2.882 20 5 DFBDMO O=C(CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000152624109 186091235 /nfs/dbraw/zinc/09/12/35/186091235.db2.gz WWYRGWBIEJMIJW-BETUJISGSA-N 1 1 303.362 2.655 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)F)ccc1NCC[N@H+]1CCCOCC1 ZINC000590582835 398634696 /nfs/dbraw/zinc/63/46/96/398634696.db2.gz GWBACZHSMDCJJP-UHFFFAOYSA-N 1 1 315.320 2.667 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000593468376 398638316 /nfs/dbraw/zinc/63/83/16/398638316.db2.gz FKKKSSAMBQXFNB-SJKOYZFVSA-N 1 1 312.373 2.673 20 5 DFBDMO Cn1cc([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000590603364 398638789 /nfs/dbraw/zinc/63/87/89/398638789.db2.gz STSZZDPRBSZOHV-INIZCTEOSA-N 1 1 314.389 2.954 20 5 DFBDMO CC1([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183855675 186224667 /nfs/dbraw/zinc/22/46/67/186224667.db2.gz UYZQBYCMITWZPW-CQSZACIVSA-N 1 1 306.362 2.570 20 5 DFBDMO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000191829472 186260019 /nfs/dbraw/zinc/26/00/19/186260019.db2.gz FTULDJKZNFYGIE-XUJVJEKNSA-N 1 1 306.362 2.787 20 5 DFBDMO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC1CC1 ZINC000072950260 398650036 /nfs/dbraw/zinc/65/00/36/398650036.db2.gz VQSNIGQKEGSBTA-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000270455241 186394290 /nfs/dbraw/zinc/39/42/90/186394290.db2.gz DLKBKGYEJWIWPP-JTQLQIEISA-N 1 1 312.675 2.651 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000094121283 398653403 /nfs/dbraw/zinc/65/34/03/398653403.db2.gz FYDITKAMRDBZPA-AWEZNQCLSA-N 1 1 319.405 2.544 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000590693390 398653111 /nfs/dbraw/zinc/65/31/11/398653111.db2.gz URBFFDOZKSGWDV-SMDDNHRTSA-N 1 1 300.362 2.895 20 5 DFBDMO CCOC[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000459726523 299173729 /nfs/dbraw/zinc/17/37/29/299173729.db2.gz XUFFDXGJMYGCFM-CQSZACIVSA-N 1 1 308.378 2.865 20 5 DFBDMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000171949784 198012901 /nfs/dbraw/zinc/01/29/01/198012901.db2.gz NCSFHCRWUHXSMF-GFCCVEGCSA-N 1 1 323.393 2.910 20 5 DFBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)C ZINC000172170237 198052035 /nfs/dbraw/zinc/05/20/35/198052035.db2.gz AVOQLVXEDXVVFR-UHFFFAOYSA-N 1 1 309.366 2.520 20 5 DFBDMO CO[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000590757224 398667947 /nfs/dbraw/zinc/66/79/47/398667947.db2.gz CGEWSQFJOQSJTB-BBRMVZONSA-N 1 1 308.378 2.721 20 5 DFBDMO CC1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000590765882 398669287 /nfs/dbraw/zinc/66/92/87/398669287.db2.gz CWOSLBZKMAXWRY-JKSUJKDBSA-N 1 1 320.389 2.721 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000172856222 198158649 /nfs/dbraw/zinc/15/86/49/198158649.db2.gz RGCXCJSLXYPNFG-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000172856222 198158651 /nfs/dbraw/zinc/15/86/51/198158651.db2.gz RGCXCJSLXYPNFG-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000072897388 191249547 /nfs/dbraw/zinc/24/95/47/191249547.db2.gz VOXSOTMOHIHWCS-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000072897388 191249549 /nfs/dbraw/zinc/24/95/49/191249549.db2.gz VOXSOTMOHIHWCS-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO CC(C)C[C@@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000072978866 191264618 /nfs/dbraw/zinc/26/46/18/191264618.db2.gz OGQDXIXVNVHUFU-CQSZACIVSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)C[C@@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000072978866 191264621 /nfs/dbraw/zinc/26/46/21/191264621.db2.gz OGQDXIXVNVHUFU-CQSZACIVSA-N 1 1 308.378 2.721 20 5 DFBDMO Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000174195265 198304109 /nfs/dbraw/zinc/30/41/09/198304109.db2.gz SOZRPQPBZNFRFK-GOOCMWNKSA-N 1 1 317.389 2.648 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000046374643 398705531 /nfs/dbraw/zinc/70/55/31/398705531.db2.gz ATEMJHHPZOGRHW-GFCCVEGCSA-N 1 1 306.366 2.591 20 5 DFBDMO C[C@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597861716 398706389 /nfs/dbraw/zinc/70/63/89/398706389.db2.gz WAVBPMAXFRETMD-SWLSCSKDSA-N 1 1 319.405 2.687 20 5 DFBDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000174858114 198393715 /nfs/dbraw/zinc/39/37/15/198393715.db2.gz SDDMAEKXWXTLHE-ZDUSSCGKSA-N 1 1 321.406 2.566 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000590968924 398710356 /nfs/dbraw/zinc/71/03/56/398710356.db2.gz OZQZQJHMDQRTHO-MRXNPFEDSA-N 1 1 320.389 2.743 20 5 DFBDMO Cn1cc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000182177812 199398477 /nfs/dbraw/zinc/39/84/77/199398477.db2.gz VGUFKEDIRBYKMM-NSHDSACASA-N 1 1 320.780 2.971 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c(F)c1 ZINC000590970335 398711088 /nfs/dbraw/zinc/71/10/88/398711088.db2.gz UEGZBQPIRMQHRS-HIFRSBDPSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c(F)c1 ZINC000590970335 398711093 /nfs/dbraw/zinc/71/10/93/398711093.db2.gz UEGZBQPIRMQHRS-HIFRSBDPSA-N 1 1 306.337 2.735 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000590970317 398711257 /nfs/dbraw/zinc/71/12/57/398711257.db2.gz QKBBCOACKVWRRT-JKSUJKDBSA-N 1 1 302.374 2.904 20 5 DFBDMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](c2ccco2)C1 ZINC000176287132 198569085 /nfs/dbraw/zinc/56/90/85/198569085.db2.gz WOQQGEOJSXOIIJ-STQMWFEESA-N 1 1 304.350 2.858 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062119 398720593 /nfs/dbraw/zinc/72/05/93/398720593.db2.gz WHWMTHRLOSPHHV-CQSZACIVSA-N 1 1 317.389 2.964 20 5 DFBDMO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922922 398722005 /nfs/dbraw/zinc/72/20/05/398722005.db2.gz GYFXXSDAOTUHNW-GFCCVEGCSA-N 1 1 305.378 2.506 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046990010 398729537 /nfs/dbraw/zinc/72/95/37/398729537.db2.gz BGNRSSUILNOSKP-CQSZACIVSA-N 1 1 319.405 2.979 20 5 DFBDMO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000594050229 398731995 /nfs/dbraw/zinc/73/19/95/398731995.db2.gz CBNCFNFBGANIBU-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000594053718 398732720 /nfs/dbraw/zinc/73/27/20/398732720.db2.gz OZLLLKPPUHGFLG-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000074320007 398739550 /nfs/dbraw/zinc/73/95/50/398739550.db2.gz HAQGGMVLGAPPEQ-UHFFFAOYSA-N 1 1 309.366 2.662 20 5 DFBDMO CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000047406595 398747984 /nfs/dbraw/zinc/74/79/84/398747984.db2.gz BBFMAGZFCPUYNS-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591436450 398760307 /nfs/dbraw/zinc/76/03/07/398760307.db2.gz AFQSQXZEKUUEPH-LRDDRELGSA-N 1 1 312.373 2.640 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000081363227 192257189 /nfs/dbraw/zinc/25/71/89/192257189.db2.gz AHSPGRCBTZIMED-AWEZNQCLSA-N 1 1 319.405 2.707 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000081361956 192257207 /nfs/dbraw/zinc/25/72/07/192257207.db2.gz MDQKJUDRXOLIJW-CQSZACIVSA-N 1 1 319.405 2.707 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000598219429 398773447 /nfs/dbraw/zinc/77/34/47/398773447.db2.gz LUBATSUQPMYJRV-LLVKDONJSA-N 1 1 323.418 2.793 20 5 DFBDMO O=[N+]([O-])c1ncccc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000591829858 398793009 /nfs/dbraw/zinc/79/30/09/398793009.db2.gz AUKPRWLQCIIBNW-DOTOQJQBSA-N 1 1 324.384 2.701 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000276848423 213131948 /nfs/dbraw/zinc/13/19/48/213131948.db2.gz DDEHDESGAGSBJU-GDBMZVCRSA-N 1 1 322.405 2.976 20 5 DFBDMO CSCC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000151129855 283277040 /nfs/dbraw/zinc/27/70/40/283277040.db2.gz ABBJTFVZPAFZHW-UHFFFAOYSA-N 1 1 311.407 2.527 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179465182 199040756 /nfs/dbraw/zinc/04/07/56/199040756.db2.gz MQQUHVURSUTGAN-YFCVBGDOSA-N 1 1 313.361 2.537 20 5 DFBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000051058601 398816165 /nfs/dbraw/zinc/81/61/65/398816165.db2.gz SQIKGOXDOSOKBE-OAHLLOKOSA-N 1 1 319.405 2.723 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594596982 398827660 /nfs/dbraw/zinc/82/76/60/398827660.db2.gz BTIWZXZDVJEGSR-CHWSQXEVSA-N 1 1 307.398 2.548 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c2ccncc21 ZINC000051917435 398828426 /nfs/dbraw/zinc/82/84/26/398828426.db2.gz UMIHIKRRCJXPNI-CYBMUJFWSA-N 1 1 312.373 2.818 20 5 DFBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000598561438 398832139 /nfs/dbraw/zinc/83/21/39/398832139.db2.gz QYCDDQMCOIAUFI-GFCCVEGCSA-N 1 1 323.418 2.508 20 5 DFBDMO Cc1noc([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000052863062 398853720 /nfs/dbraw/zinc/85/37/20/398853720.db2.gz HGRBSPASZCTZFA-NSHDSACASA-N 1 1 308.363 2.727 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000052863062 398853722 /nfs/dbraw/zinc/85/37/22/398853722.db2.gz HGRBSPASZCTZFA-NSHDSACASA-N 1 1 308.363 2.727 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000053898862 398884252 /nfs/dbraw/zinc/88/42/52/398884252.db2.gz XKHDWNKUIWPEDX-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053778427 398881952 /nfs/dbraw/zinc/88/19/52/398881952.db2.gz RRBBOPCEDDKHNK-AWEZNQCLSA-N 1 1 317.389 2.748 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[NH+]1CCCCC1 ZINC000595003004 398889387 /nfs/dbraw/zinc/88/93/87/398889387.db2.gz AVVQGTCBASEOTA-ZDUSSCGKSA-N 1 1 307.394 2.740 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)C ZINC000140421010 398890284 /nfs/dbraw/zinc/89/02/84/398890284.db2.gz JIOOPDFUWRRTCS-OAHLLOKOSA-N 1 1 305.378 2.962 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000595008291 398891235 /nfs/dbraw/zinc/89/12/35/398891235.db2.gz DCYFRMOOXYJXAN-BFHYXJOUSA-N 1 1 319.405 2.881 20 5 DFBDMO C[NH+]1CCC(C)(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000598912099 398892372 /nfs/dbraw/zinc/89/23/72/398892372.db2.gz BLMVKYJXXCKHPN-UHFFFAOYSA-N 1 1 318.377 2.558 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C ZINC000595016291 398892412 /nfs/dbraw/zinc/89/24/12/398892412.db2.gz KBWAVNMPQHGQPP-IAQYHMDHSA-N 1 1 307.394 2.594 20 5 DFBDMO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015743 398891799 /nfs/dbraw/zinc/89/17/99/398891799.db2.gz GNFKGGJDGSKYPU-ZIAGYGMSSA-N 1 1 321.421 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000595018321 398892771 /nfs/dbraw/zinc/89/27/71/398892771.db2.gz MINFGGKEFRNAKU-AVGNSLFASA-N 1 1 319.405 2.879 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000595018321 398892776 /nfs/dbraw/zinc/89/27/76/398892776.db2.gz MINFGGKEFRNAKU-AVGNSLFASA-N 1 1 319.405 2.879 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000595024983 398893806 /nfs/dbraw/zinc/89/38/06/398893806.db2.gz IQRHGFWLABZZBJ-FRRDWIJNSA-N 1 1 307.394 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000595024983 398893810 /nfs/dbraw/zinc/89/38/10/398893810.db2.gz IQRHGFWLABZZBJ-FRRDWIJNSA-N 1 1 307.394 2.737 20 5 DFBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000054286985 398894605 /nfs/dbraw/zinc/89/46/05/398894605.db2.gz WELQYGVGUSLKRG-CYBMUJFWSA-N 1 1 319.405 2.835 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)C[N@@H+](C)C(C)C ZINC000595046536 398897167 /nfs/dbraw/zinc/89/71/67/398897167.db2.gz AIDWWIANQBSRRX-OLZOCXBDSA-N 1 1 309.410 2.983 20 5 DFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187553135 200127363 /nfs/dbraw/zinc/12/73/63/200127363.db2.gz VKHPFTCGKAHSFP-INIZCTEOSA-N 1 1 308.378 2.588 20 5 DFBDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595309929 398921101 /nfs/dbraw/zinc/92/11/01/398921101.db2.gz ZVQLXJOAPYQEMA-SNVBAGLBSA-N 1 1 310.325 2.507 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312269 398921113 /nfs/dbraw/zinc/92/11/13/398921113.db2.gz SEKPEEXAWOXKGS-GJZGRUSLSA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC000595307093 398920397 /nfs/dbraw/zinc/92/03/97/398920397.db2.gz UVPVAAPRHCXAQZ-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)o1 ZINC000595307093 398920398 /nfs/dbraw/zinc/92/03/98/398920398.db2.gz UVPVAAPRHCXAQZ-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1noc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1[N+](=O)[O-] ZINC000595328461 398922849 /nfs/dbraw/zinc/92/28/49/398922849.db2.gz VVTJVPOKONGDSI-ZDUSSCGKSA-N 1 1 309.366 2.815 20 5 DFBDMO CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000595326310 398923013 /nfs/dbraw/zinc/92/30/13/398923013.db2.gz BBAODBINDCRIBR-KCPJHIHWSA-N 1 1 323.393 2.917 20 5 DFBDMO Cc1noc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1[N+](=O)[O-] ZINC000595328461 398922845 /nfs/dbraw/zinc/92/28/45/398922845.db2.gz VVTJVPOKONGDSI-ZDUSSCGKSA-N 1 1 309.366 2.815 20 5 DFBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000595336933 398923710 /nfs/dbraw/zinc/92/37/10/398923710.db2.gz IOYQMYFPCIWGNQ-LBPRGKRZSA-N 1 1 318.352 2.532 20 5 DFBDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344377 398925160 /nfs/dbraw/zinc/92/51/60/398925160.db2.gz CZDQPIGFZWPWKR-QWHCGFSZSA-N 1 1 309.366 2.671 20 5 DFBDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344377 398925162 /nfs/dbraw/zinc/92/51/62/398925162.db2.gz CZDQPIGFZWPWKR-QWHCGFSZSA-N 1 1 309.366 2.671 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000055405431 398929569 /nfs/dbraw/zinc/92/95/69/398929569.db2.gz WEPKIIIZWZYBIQ-GHMZBOCLSA-N 1 1 311.407 2.507 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO[C@H]1CC1(F)F)C1CC1 ZINC000595388092 398930959 /nfs/dbraw/zinc/93/09/59/398930959.db2.gz UKFOMDCLQKQEDH-AWEZNQCLSA-N 1 1 312.316 2.983 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCO[C@H]1CC1(F)F)C1CC1 ZINC000595388092 398930960 /nfs/dbraw/zinc/93/09/60/398930960.db2.gz UKFOMDCLQKQEDH-AWEZNQCLSA-N 1 1 312.316 2.983 20 5 DFBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471797348 299305968 /nfs/dbraw/zinc/30/59/68/299305968.db2.gz HZFYHDZHATWBKP-SMDDNHRTSA-N 1 1 302.330 2.810 20 5 DFBDMO Nc1c(F)c(NC[C@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599166720 398932307 /nfs/dbraw/zinc/93/23/07/398932307.db2.gz ZBAZKIMHWPEEAA-LLVKDONJSA-N 1 1 308.357 2.745 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599164699 398932384 /nfs/dbraw/zinc/93/23/84/398932384.db2.gz KAEAGHALIGNYAR-ZDUSSCGKSA-N 1 1 307.398 2.548 20 5 DFBDMO Nc1c(F)c(NC[C@@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599166721 398932508 /nfs/dbraw/zinc/93/25/08/398932508.db2.gz ZBAZKIMHWPEEAA-NSHDSACASA-N 1 1 308.357 2.745 20 5 DFBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000471803957 299306765 /nfs/dbraw/zinc/30/67/65/299306765.db2.gz KHBXQMUKUDQQHN-NWDGAFQWSA-N 1 1 302.330 2.810 20 5 DFBDMO Cc1noc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000595417407 398934158 /nfs/dbraw/zinc/93/41/58/398934158.db2.gz KQWQDTLVHONMHK-DZGCQCFKSA-N 1 1 317.345 2.759 20 5 DFBDMO Cc1nc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000417346345 296012279 /nfs/dbraw/zinc/01/22/79/296012279.db2.gz UJHDKVNUUYWVTG-HNNXBMFYSA-N 1 1 315.377 2.621 20 5 DFBDMO Cc1nnc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000417346345 296012281 /nfs/dbraw/zinc/01/22/81/296012281.db2.gz UJHDKVNUUYWVTG-HNNXBMFYSA-N 1 1 315.377 2.621 20 5 DFBDMO CO[C@@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000595426571 398936223 /nfs/dbraw/zinc/93/62/23/398936223.db2.gz YVRAODUXDZAIDN-INIZCTEOSA-N 1 1 305.378 2.553 20 5 DFBDMO CO[C@@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC000595426571 398936224 /nfs/dbraw/zinc/93/62/24/398936224.db2.gz YVRAODUXDZAIDN-INIZCTEOSA-N 1 1 305.378 2.553 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1[N+](=O)[O-] ZINC000595470523 398945078 /nfs/dbraw/zinc/94/50/78/398945078.db2.gz ONNWDGHFNOETBX-DEQVHRJGSA-N 1 1 323.393 2.653 20 5 DFBDMO CC(C)[N@H+](CC(=O)NCC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000599270537 398945794 /nfs/dbraw/zinc/94/57/94/398945794.db2.gz NQGPUFXANYAWSR-UHFFFAOYSA-N 1 1 321.421 2.968 20 5 DFBDMO CC(C)[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000599270537 398945800 /nfs/dbraw/zinc/94/58/00/398945800.db2.gz NQGPUFXANYAWSR-UHFFFAOYSA-N 1 1 321.421 2.968 20 5 DFBDMO CCc1nc([C@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000595477427 398946278 /nfs/dbraw/zinc/94/62/78/398946278.db2.gz SQMWUCFZTQLRDW-NSHDSACASA-N 1 1 303.366 2.511 20 5 DFBDMO CCc1nnc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000595477427 398946280 /nfs/dbraw/zinc/94/62/80/398946280.db2.gz SQMWUCFZTQLRDW-NSHDSACASA-N 1 1 303.366 2.511 20 5 DFBDMO CCc1nnc([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000595477427 398946284 /nfs/dbraw/zinc/94/62/84/398946284.db2.gz SQMWUCFZTQLRDW-NSHDSACASA-N 1 1 303.366 2.511 20 5 DFBDMO CCCCO[C@H]1C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595485199 398948539 /nfs/dbraw/zinc/94/85/39/398948539.db2.gz SHESQDLDNVPZJT-STQMWFEESA-N 1 1 311.382 2.965 20 5 DFBDMO C[C@@]1(CCCO)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000272018045 209387403 /nfs/dbraw/zinc/38/74/03/209387403.db2.gz LZHUGYFVPMSTIR-INIZCTEOSA-N 1 1 308.378 2.601 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000078563208 398967121 /nfs/dbraw/zinc/96/71/21/398967121.db2.gz ZHOSTIXJOJERFD-CQSZACIVSA-N 1 1 319.405 2.966 20 5 DFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCCO1 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FXVPCAZTKFLGJV-NSHDSACASA-N 1 1 304.325 2.837 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000171630411 399054945 /nfs/dbraw/zinc/05/49/45/399054945.db2.gz FXVPCAZTKFLGJV-NSHDSACASA-N 1 1 304.325 2.837 20 5 DFBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600473137 399058974 /nfs/dbraw/zinc/05/89/74/399058974.db2.gz ROJNFMSAFMQLPJ-AWEZNQCLSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000613779217 399081403 /nfs/dbraw/zinc/08/14/03/399081403.db2.gz RURMPOVQSNQEJS-CQSZACIVSA-N 1 1 318.377 2.509 20 5 DFBDMO Cc1noc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1[N+](=O)[O-] ZINC000595782123 399082267 /nfs/dbraw/zinc/08/22/67/399082267.db2.gz HKBGAICNJURDCH-ZDUSSCGKSA-N 1 1 309.366 2.672 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])c(CO)c1)Cc1ccccc1 ZINC000418965944 296122173 /nfs/dbraw/zinc/12/21/73/296122173.db2.gz VETPPVCVFWDEHG-UHFFFAOYSA-N 1 1 316.357 2.598 20 5 DFBDMO Cc1cc(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC000338349154 284103337 /nfs/dbraw/zinc/10/33/37/284103337.db2.gz CWMHQOSZVMFFBX-UHFFFAOYSA-N 1 1 315.373 2.897 20 5 DFBDMO Cc1cc(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC000338349154 284103342 /nfs/dbraw/zinc/10/33/42/284103342.db2.gz CWMHQOSZVMFFBX-UHFFFAOYSA-N 1 1 315.373 2.897 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419339526 296135955 /nfs/dbraw/zinc/13/59/55/296135955.db2.gz UQCWQSNJKRXCCO-LSDHHAIUSA-N 1 1 321.421 2.903 20 5 DFBDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419353069 296136293 /nfs/dbraw/zinc/13/62/93/296136293.db2.gz KSHFXUROMQMXKX-FRRDWIJNSA-N 1 1 305.378 2.900 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419371989 296137335 /nfs/dbraw/zinc/13/73/35/296137335.db2.gz LWXVIXNLLXRIQK-FDYHWXHSSA-N 1 1 305.378 2.898 20 5 DFBDMO C[C@H]1[C@@H](C)[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000419375460 296137671 /nfs/dbraw/zinc/13/76/71/296137671.db2.gz RNFLXUDVJXLQJT-BRXULGCHSA-N 1 1 317.389 2.676 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000340191546 284156262 /nfs/dbraw/zinc/15/62/62/284156262.db2.gz IOKOHNZVBCOORP-OLZOCXBDSA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000340191546 284156265 /nfs/dbraw/zinc/15/62/65/284156265.db2.gz IOKOHNZVBCOORP-OLZOCXBDSA-N 1 1 318.295 2.873 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1[N+](=O)[O-] ZINC000093455360 193253754 /nfs/dbraw/zinc/25/37/54/193253754.db2.gz VEPOMRGSEDPIPV-GOSISDBHSA-N 1 1 312.369 2.995 20 5 DFBDMO Cc1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1[N+](=O)[O-] ZINC000093455360 193253756 /nfs/dbraw/zinc/25/37/56/193253756.db2.gz VEPOMRGSEDPIPV-GOSISDBHSA-N 1 1 312.369 2.995 20 5 DFBDMO COCCOC[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093754324 193299294 /nfs/dbraw/zinc/29/92/94/193299294.db2.gz BWDQDOZLTKKTLJ-DRDHIDPGSA-N 1 1 320.389 2.593 20 5 DFBDMO [NH3+][C@H]1CCc2ccccc2N(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595901894 399129027 /nfs/dbraw/zinc/12/90/27/399129027.db2.gz CCRLIHGJDCTXPW-AWEZNQCLSA-N 1 1 313.357 2.581 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000060842326 399144984 /nfs/dbraw/zinc/14/49/84/399144984.db2.gz NDSQSDQAUZBQSD-JTQLQIEISA-N 1 1 309.395 2.590 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264577416 204006268 /nfs/dbraw/zinc/00/62/68/204006268.db2.gz BCOGCQZREQQYCE-QWHCGFSZSA-N 1 1 318.295 2.525 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000264624060 204034737 /nfs/dbraw/zinc/03/47/37/204034737.db2.gz BUXZQWWWTHNZNW-CYBMUJFWSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[C@H](NC(=O)C[N@@H+](C)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000600825696 399156978 /nfs/dbraw/zinc/15/69/78/399156978.db2.gz UFSDNUWGVLCGBF-HNNXBMFYSA-N 1 1 305.378 2.646 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000080640852 399166188 /nfs/dbraw/zinc/16/61/88/399166188.db2.gz VBXHTLLALDTNOZ-NSHDSACASA-N 1 1 311.357 2.521 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338954 296177407 /nfs/dbraw/zinc/17/74/07/296177407.db2.gz YKWUYCSHRSJLMU-QWHCGFSZSA-N 1 1 307.369 2.555 20 5 DFBDMO CCOc1cc(NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000080763440 399177085 /nfs/dbraw/zinc/17/70/85/399177085.db2.gz ARKSCZBDUDUENU-UHFFFAOYSA-N 1 1 323.393 2.516 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000342472166 284339297 /nfs/dbraw/zinc/33/92/97/284339297.db2.gz JXONMERNDTUCHQ-UWVGGRQHSA-N 1 1 321.406 2.518 20 5 DFBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614252422 399189710 /nfs/dbraw/zinc/18/97/10/399189710.db2.gz RXVRWOCAYFURHP-WCQYABFASA-N 1 1 306.362 2.986 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CC(C)C)C1CC1 ZINC000063493137 399191036 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COC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000064558878 399228123 /nfs/dbraw/zinc/22/81/23/399228123.db2.gz STAXHLASGYXRBA-UHFFFAOYSA-N 1 1 308.378 2.924 20 5 DFBDMO Cc1noc(C)c1CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601112691 399230956 /nfs/dbraw/zinc/23/09/56/399230956.db2.gz ANDNOLTXHAIFJD-UHFFFAOYSA-N 1 1 312.329 2.824 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267407323 206043737 /nfs/dbraw/zinc/04/37/37/206043737.db2.gz HIBKZVNXYYQPND-GFCCVEGCSA-N 1 1 324.352 2.898 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267407323 206043740 /nfs/dbraw/zinc/04/37/40/206043740.db2.gz HIBKZVNXYYQPND-GFCCVEGCSA-N 1 1 324.352 2.898 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000267437703 206065420 /nfs/dbraw/zinc/06/54/20/206065420.db2.gz OEHDEGHHHQJHTL-CYBMUJFWSA-N 1 1 306.362 2.758 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601135406 399238296 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DFBDMO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CCC1 ZINC000619433991 399345768 /nfs/dbraw/zinc/34/57/68/399345768.db2.gz AFUYWWKBWKUREP-UHFFFAOYSA-N 1 1 306.362 2.988 20 5 DFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610281776 399353372 /nfs/dbraw/zinc/35/33/72/399353372.db2.gz KCMZUBPZAIENEF-OAHLLOKOSA-N 1 1 312.373 2.701 20 5 DFBDMO COc1cc(N2CCC[N@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000610274875 399352097 /nfs/dbraw/zinc/35/20/97/399352097.db2.gz KIUHBSJXDIBHPO-UHFFFAOYSA-N 1 1 307.394 2.914 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2CCC23CCC3)cccc1[N+](=O)[O-] ZINC000610433298 399368098 /nfs/dbraw/zinc/36/80/98/399368098.db2.gz MGAXWSRJZWOMMV-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC000610476330 399371077 /nfs/dbraw/zinc/37/10/77/399371077.db2.gz LTGYWMFUIILWPE-LBPRGKRZSA-N 1 1 318.352 2.847 20 5 DFBDMO CC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000106115127 194187621 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DFBDMO Cc1c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000109756280 194283051 /nfs/dbraw/zinc/28/30/51/194283051.db2.gz WGPFNDKRQNOQLZ-STQMWFEESA-N 1 1 318.295 2.791 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273372967 210720455 /nfs/dbraw/zinc/72/04/55/210720455.db2.gz GYGITJMSZQHWER-LLVKDONJSA-N 1 1 324.356 2.587 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602160180 399403028 /nfs/dbraw/zinc/40/30/28/399403028.db2.gz KUFHOQHFXZRYJS-HNNXBMFYSA-N 1 1 320.393 2.838 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602160180 399403029 /nfs/dbraw/zinc/40/30/29/399403029.db2.gz KUFHOQHFXZRYJS-HNNXBMFYSA-N 1 1 320.393 2.838 20 5 DFBDMO CC[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C ZINC000616062516 399417789 /nfs/dbraw/zinc/41/77/89/399417789.db2.gz NXGDNSHATFLBBG-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000616121603 399423531 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Cc1cccc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602438082 399444366 /nfs/dbraw/zinc/44/43/66/399444366.db2.gz BMWZGMQYUGGPAA-OAHLLOKOSA-N 1 1 300.362 2.974 20 5 DFBDMO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602470606 399453529 /nfs/dbraw/zinc/45/35/29/399453529.db2.gz ISHNLOKUJPGDRN-HNNXBMFYSA-N 1 1 300.362 2.838 20 5 DFBDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602470606 399453532 /nfs/dbraw/zinc/45/35/32/399453532.db2.gz ISHNLOKUJPGDRN-HNNXBMFYSA-N 1 1 300.362 2.838 20 5 DFBDMO Cn1cc(C[N@@H+](C)CCc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000602454978 399448523 /nfs/dbraw/zinc/44/85/23/399448523.db2.gz PBOXFYBOYDHTSR-UHFFFAOYSA-N 1 1 308.769 2.656 20 5 DFBDMO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602470607 399453374 /nfs/dbraw/zinc/45/33/74/399453374.db2.gz ISHNLOKUJPGDRN-OAHLLOKOSA-N 1 1 300.362 2.838 20 5 DFBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602470607 399453376 /nfs/dbraw/zinc/45/33/76/399453376.db2.gz ISHNLOKUJPGDRN-OAHLLOKOSA-N 1 1 300.362 2.838 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CC1)OCCO2 ZINC000611268578 399454377 /nfs/dbraw/zinc/45/43/77/399454377.db2.gz WKENTCHJTSJFTR-ZDUSSCGKSA-N 1 1 304.346 2.740 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602472224 399454385 /nfs/dbraw/zinc/45/43/85/399454385.db2.gz PTSILKSQGUAVIS-ZDUSSCGKSA-N 1 1 318.352 2.532 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)o1 ZINC000611267509 399454599 /nfs/dbraw/zinc/45/45/99/399454599.db2.gz JZKUAHDLZLIUKP-CQSZACIVSA-N 1 1 316.361 2.974 20 5 DFBDMO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501481 399483199 /nfs/dbraw/zinc/48/31/99/399483199.db2.gz CPDIYMPVIQCXPM-WCQYABFASA-N 1 1 312.341 2.662 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501481 399483201 /nfs/dbraw/zinc/48/32/01/399483201.db2.gz CPDIYMPVIQCXPM-WCQYABFASA-N 1 1 312.341 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317.389 2.862 20 5 DFBDMO CCCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273028603 426579030 /nfs/dbraw/zinc/57/90/30/426579030.db2.gz MGKWKJZGDMSKQU-CQSZACIVSA-N 1 1 308.378 2.599 20 5 DFBDMO CSCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272555938 426556023 /nfs/dbraw/zinc/55/60/23/426556023.db2.gz SGPUTCNKUUEUDR-AWEZNQCLSA-N 1 1 320.418 2.760 20 5 DFBDMO CCC(=O)c1ccc(N2CCC[N@H+](CC)CC2)c([N+](=O)[O-])c1 ZINC000280743353 426646530 /nfs/dbraw/zinc/64/65/30/426646530.db2.gz OSJJOPPSYVFPMJ-UHFFFAOYSA-N 1 1 305.378 2.720 20 5 DFBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+](C)C(C)C ZINC000273424193 426662074 /nfs/dbraw/zinc/66/20/74/426662074.db2.gz WBATWUIJOSGIIP-WYMLVPIESA-N 1 1 319.405 2.845 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000273245974 426625851 /nfs/dbraw/zinc/62/58/51/426625851.db2.gz ZQJLDQDKCMTUDF-NHYWBVRUSA-N 1 1 309.797 2.774 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000273245970 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SGKHCKUZLGIEJX-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000274272542 426734215 /nfs/dbraw/zinc/73/42/15/426734215.db2.gz NASUPGQTECULCU-UHFFFAOYSA-N 1 1 318.377 2.595 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245541857 426749623 /nfs/dbraw/zinc/74/96/23/426749623.db2.gz JPUBNXXCPBBDAK-IUODEOHRSA-N 1 1 308.378 2.586 20 5 DFBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179153586 426759874 /nfs/dbraw/zinc/75/98/74/426759874.db2.gz YDVCDKSJWOKFNG-GFCCVEGCSA-N 1 1 312.753 2.776 20 5 DFBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179153586 426759881 /nfs/dbraw/zinc/75/98/81/426759881.db2.gz YDVCDKSJWOKFNG-GFCCVEGCSA-N 1 1 312.753 2.776 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000266669104 426760445 /nfs/dbraw/zinc/76/04/45/426760445.db2.gz ONNBDJRSIMFYGV-KGLIPLIRSA-N 1 1 317.389 2.602 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000290834535 426850810 /nfs/dbraw/zinc/85/08/10/426850810.db2.gz VACCIMQQEVSMAA-WCQYABFASA-N 1 1 305.378 2.778 20 5 DFBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000246676581 426853062 /nfs/dbraw/zinc/85/30/62/426853062.db2.gz LOIOEGOXVYSCFD-STQMWFEESA-N 1 1 305.378 2.901 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000266912192 426793972 /nfs/dbraw/zinc/79/39/72/426793972.db2.gz DLLQSYNRFSIBQR-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000266914573 426794593 /nfs/dbraw/zinc/79/45/93/426794593.db2.gz FPOVFMUPSIWDSE-UHFFFAOYSA-N 1 1 318.352 2.638 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268132712 426923576 /nfs/dbraw/zinc/92/35/76/426923576.db2.gz GCWHIKDOEJUNGH-ZDUSSCGKSA-N 1 1 323.368 2.680 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2COC)C1 ZINC000267285595 426863705 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2.535 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000248337361 426991155 /nfs/dbraw/zinc/99/11/55/426991155.db2.gz HJTWAAFDFWKQRF-QWRGUYRKSA-N 1 1 302.334 2.875 20 5 DFBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+](C2CCC2)C1 ZINC000291619244 426929564 /nfs/dbraw/zinc/92/95/64/426929564.db2.gz AQTXKCRLNYQZGB-LLVKDONJSA-N 1 1 322.384 2.627 20 5 DFBDMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295391432 426938013 /nfs/dbraw/zinc/93/80/13/426938013.db2.gz QMVLSVQIZPVAKN-OBJOEFQTSA-N 1 1 305.378 2.502 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248357899 426993517 /nfs/dbraw/zinc/99/35/17/426993517.db2.gz QBKPBNOWQWXUGW-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO CS[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042523 427055624 /nfs/dbraw/zinc/05/56/24/427055624.db2.gz AOGWSRZKICWSSA-RYUDHWBXSA-N 1 1 323.418 2.668 20 5 DFBDMO CS[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042523 427055628 /nfs/dbraw/zinc/05/56/28/427055628.db2.gz AOGWSRZKICWSSA-RYUDHWBXSA-N 1 1 323.418 2.668 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248895408 427060858 /nfs/dbraw/zinc/06/08/58/427060858.db2.gz LGAJRMBGMIAAJY-RLWBPUTGSA-N 1 1 318.373 2.739 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248469696 427003719 /nfs/dbraw/zinc/00/37/19/427003719.db2.gz UUMRRSJAMKVJHX-QLFBSQMISA-N 1 1 322.405 2.845 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000248667313 427028951 /nfs/dbraw/zinc/02/89/51/427028951.db2.gz PIDOOHNEWWNMIN-VXGBXAGGSA-N 1 1 309.414 2.652 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268510359 427039560 /nfs/dbraw/zinc/03/95/60/427039560.db2.gz UOSSGXWOSYELPS-BXUZGUMPSA-N 1 1 315.377 2.962 20 5 DFBDMO 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DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](CC2CCCC2)C1 ZINC000375257371 428834575 /nfs/dbraw/zinc/83/45/75/428834575.db2.gz YBAKPGJRGITRBS-OAHLLOKOSA-N 1 1 319.405 2.659 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363123015 428865082 /nfs/dbraw/zinc/86/50/82/428865082.db2.gz WRIUAYZHZYOZTO-CQSZACIVSA-N 1 1 316.361 2.507 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354115066 428868507 /nfs/dbraw/zinc/86/85/07/428868507.db2.gz ADSPFYRJYZADRH-CYBMUJFWSA-N 1 1 306.362 2.758 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375387312 428869079 /nfs/dbraw/zinc/86/90/79/428869079.db2.gz NUCVUIRWQZIQQT-GDBMZVCRSA-N 1 1 306.362 2.747 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000348928420 428879337 /nfs/dbraw/zinc/87/93/37/428879337.db2.gz QMRHYBGVGHWKLY-INIZCTEOSA-N 1 1 320.389 2.994 20 5 DFBDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000412052662 428929172 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DFBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)no1 ZINC000375761322 428964309 /nfs/dbraw/zinc/96/43/09/428964309.db2.gz FUIRCHFOSIKPDW-CQSZACIVSA-N 1 1 316.361 2.974 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000375806962 428983029 /nfs/dbraw/zinc/98/30/29/428983029.db2.gz BDROLKUOJZBZPI-GJZGRUSLSA-N 1 1 319.405 2.532 20 5 DFBDMO COc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451839721 428994999 /nfs/dbraw/zinc/99/49/99/428994999.db2.gz DITIERVJGIPGIG-JKSUJKDBSA-N 1 1 320.389 2.993 20 5 DFBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000421699870 429011593 /nfs/dbraw/zinc/01/15/93/429011593.db2.gz CIMWJGXNGRYMKF-CYBMUJFWSA-N 1 1 317.345 2.507 20 5 DFBDMO Nc1c(F)c(NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433788206 429050916 /nfs/dbraw/zinc/05/09/16/429050916.db2.gz CNDFOYDBUFIYJM-LLVKDONJSA-N 1 1 308.357 2.745 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000452120437 429064601 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2.838 20 5 DFBDMO Cc1cc(C2=CC[N@@H+](CCCCCO)CC2)cc([N+](=O)[O-])c1N ZINC000364356622 429189222 /nfs/dbraw/zinc/18/92/22/429189222.db2.gz IUPDFHXKCDNMLX-UHFFFAOYSA-N 1 1 319.405 2.737 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000364364358 429190868 /nfs/dbraw/zinc/19/08/68/429190868.db2.gz UVUPUMYTTOFRQA-OAHLLOKOSA-N 1 1 312.373 2.807 20 5 DFBDMO COc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722039 429190955 /nfs/dbraw/zinc/19/09/55/429190955.db2.gz NEPNXUKGNOTTBN-WOSRLPQWSA-N 1 1 319.405 2.770 20 5 DFBDMO CC1=CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000436266749 429191411 /nfs/dbraw/zinc/19/14/11/429191411.db2.gz OXCFOZCYVYJTFR-UHFFFAOYSA-N 1 1 317.345 2.545 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000364514856 429216812 /nfs/dbraw/zinc/21/68/12/429216812.db2.gz ZNYAVXISPCLGBU-CQSZACIVSA-N 1 1 315.377 2.757 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC1(C)C ZINC000489470043 429244459 /nfs/dbraw/zinc/24/44/59/429244459.db2.gz FPWPAFFDKHUDOI-AWEZNQCLSA-N 1 1 305.378 2.962 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000456159758 429251814 /nfs/dbraw/zinc/25/18/14/429251814.db2.gz HCCJVJOQFLQPFN-WCQYABFASA-N 1 1 320.393 2.551 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491277303 429342965 /nfs/dbraw/zinc/34/29/65/429342965.db2.gz IRSUWRPRZOSOKM-VURMDHGXSA-N 1 1 323.368 2.594 20 5 DFBDMO Cc1c(C(=O)NCC[N@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000457074940 429391902 /nfs/dbraw/zinc/39/19/02/429391902.db2.gz MDZVNLULOLHFPN-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO COC[C@@H](C)[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365882078 429395406 /nfs/dbraw/zinc/39/54/06/429395406.db2.gz BKTRKDVZXBRQJW-GFCCVEGCSA-N 1 1 305.378 2.609 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426488698 429397831 /nfs/dbraw/zinc/39/78/31/429397831.db2.gz XJMRKAQZQJRMEK-GXTWGEPZSA-N 1 1 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OJNPLAAWESYHKG-VHSXEESVSA-N 1 1 319.390 2.638 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCO[C@@H]1CCCCO1)CC2 ZINC000331965226 534884004 /nfs/dbraw/zinc/88/40/04/534884004.db2.gz BTJYRKLFHNAKSL-QGZVFWFLSA-N 1 1 320.389 2.886 20 5 DFBDMO Cc1ccc([C@]2(C)CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000364846582 526051654 /nfs/dbraw/zinc/05/16/54/526051654.db2.gz JHLUBSVBXWMALG-QGZVFWFLSA-N 1 1 314.389 2.763 20 5 DFBDMO C[C@H](c1cccnc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019654 526135434 /nfs/dbraw/zinc/13/54/34/526135434.db2.gz ZETBJBSRMGFHQX-OCCSQVGLSA-N 1 1 301.350 2.584 20 5 DFBDMO Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000364245040 526137690 /nfs/dbraw/zinc/13/76/90/526137690.db2.gz PDXLWIJMCBXIAN-ZFWWWQNUSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H](CO)c3ccccc32)cs1 ZINC000364268087 527331005 /nfs/dbraw/zinc/33/10/05/527331005.db2.gz JVUNPQZRRCRNEY-SMDDNHRTSA-N 1 1 304.371 2.967 20 5 DFBDMO CC(C)[C@]1(CO)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000292986918 527990756 /nfs/dbraw/zinc/99/07/56/527990756.db2.gz HWZVZNLKALXTOY-QGZVFWFLSA-N 1 1 322.405 2.704 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000305761158 528210598 /nfs/dbraw/zinc/21/05/98/528210598.db2.gz KVBPCNBRWLEKLA-SWLSCSKDSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000305761158 528210602 /nfs/dbraw/zinc/21/06/02/528210602.db2.gz KVBPCNBRWLEKLA-SWLSCSKDSA-N 1 1 308.378 2.585 20 5 DFBDMO CCOc1cccc(N[C@@H]2CCc3[nH+]c(C)cn3C2)c1[N+](=O)[O-] ZINC000302692816 528675287 /nfs/dbraw/zinc/67/52/87/528675287.db2.gz VQYQIRGDQMPNGV-GFCCVEGCSA-N 1 1 316.361 2.925 20 5 DFBDMO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000361659409 536162836 /nfs/dbraw/zinc/16/28/36/536162836.db2.gz ZUZFDSYOBOFDHZ-NWDGAFQWSA-N 1 1 323.418 2.745 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000361659409 536162839 /nfs/dbraw/zinc/16/28/39/536162839.db2.gz ZUZFDSYOBOFDHZ-NWDGAFQWSA-N 1 1 323.418 2.745 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000245846583 536768903 /nfs/dbraw/zinc/76/89/03/536768903.db2.gz CGAQNGFKTQLUSW-NWDGAFQWSA-N 1 1 321.377 2.520 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000245846583 536768907 /nfs/dbraw/zinc/76/89/07/536768907.db2.gz CGAQNGFKTQLUSW-NWDGAFQWSA-N 1 1 321.377 2.520 20 5 DFBDMO COc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000354448966 536893970 /nfs/dbraw/zinc/89/39/70/536893970.db2.gz PNWIJDKQGIPTHI-UHFFFAOYSA-N 1 1 312.329 2.770 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214683 185220126 /nfs/dbraw/zinc/22/01/26/185220126.db2.gz WJNGPDLLPLEAAY-LBPRGKRZSA-N 1 1 318.377 2.510 20 5 DFBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596202624 398356181 /nfs/dbraw/zinc/35/61/81/398356181.db2.gz IISZOGYRPOQFGU-SNVBAGLBSA-N 1 1 321.768 2.539 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC12CCC2 ZINC000081545793 398357221 /nfs/dbraw/zinc/35/72/21/398357221.db2.gz INDYMLMMFDHJOX-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596210677 398357810 /nfs/dbraw/zinc/35/78/10/398357810.db2.gz LZBRPKOPXFAHEV-UHFFFAOYSA-N 1 1 322.409 2.514 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC34CCC4)n2)cc1 ZINC000081563921 398359141 /nfs/dbraw/zinc/35/91/41/398359141.db2.gz QYRDRQGPYODXRV-UHFFFAOYSA-N 1 1 300.318 2.773 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC34CCC4)n2)cc1 ZINC000081563921 398359144 /nfs/dbraw/zinc/35/91/44/398359144.db2.gz QYRDRQGPYODXRV-UHFFFAOYSA-N 1 1 300.318 2.773 20 5 DFBDMO COc1cc(N[C@@H]2CCc3c[nH+]cn3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596232626 398363415 /nfs/dbraw/zinc/36/34/15/398363415.db2.gz YPOMDKDMTGALQC-SECBINFHSA-N 1 1 322.752 2.880 20 5 DFBDMO CC[N@@H+]1CC[C@@H](Nc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596273190 398373681 /nfs/dbraw/zinc/37/36/81/398373681.db2.gz FMYWZCJHZWFDSC-SECBINFHSA-N 1 1 314.183 2.863 20 5 DFBDMO CC[N@H+]1CC[C@@H](Nc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596273190 398373687 /nfs/dbraw/zinc/37/36/87/398373687.db2.gz FMYWZCJHZWFDSC-SECBINFHSA-N 1 1 314.183 2.863 20 5 DFBDMO CC[N@@H+]1CC[C@H](Nc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596273191 398374008 /nfs/dbraw/zinc/37/40/08/398374008.db2.gz FMYWZCJHZWFDSC-VIFPVBQESA-N 1 1 314.183 2.863 20 5 DFBDMO CC[N@H+]1CC[C@H](Nc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596273191 398374016 /nfs/dbraw/zinc/37/40/16/398374016.db2.gz FMYWZCJHZWFDSC-VIFPVBQESA-N 1 1 314.183 2.863 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCSCC2)cccc1[N+](=O)[O-] ZINC000089983079 185273939 /nfs/dbraw/zinc/27/39/39/185273939.db2.gz IODXNJKVYCWVQL-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCSCC2)cccc1[N+](=O)[O-] ZINC000089983079 185273940 /nfs/dbraw/zinc/27/39/40/185273940.db2.gz IODXNJKVYCWVQL-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO Cn1cc([C@@H]2CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cn1 ZINC000286595732 219074183 /nfs/dbraw/zinc/07/41/83/219074183.db2.gz XMWHSZJBICRRED-SNVBAGLBSA-N 1 1 322.315 2.596 20 5 DFBDMO Cn1cc([C@@H]2CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cn1 ZINC000286595732 219074185 /nfs/dbraw/zinc/07/41/85/219074185.db2.gz XMWHSZJBICRRED-SNVBAGLBSA-N 1 1 322.315 2.596 20 5 DFBDMO CCO[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083206472 398385432 /nfs/dbraw/zinc/38/54/32/398385432.db2.gz WSYVPMJANAXBJX-GFCCVEGCSA-N 1 1 305.334 2.737 20 5 DFBDMO CCO[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083206472 398385434 /nfs/dbraw/zinc/38/54/34/398385434.db2.gz WSYVPMJANAXBJX-GFCCVEGCSA-N 1 1 305.334 2.737 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000592140341 398390176 /nfs/dbraw/zinc/39/01/76/398390176.db2.gz INTUUKXGHIZQMM-WBMJQRKESA-N 1 1 306.362 2.604 20 5 DFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000305790790 529709530 /nfs/dbraw/zinc/70/95/30/529709530.db2.gz AZTBWRWFYADPNK-ZFWWWQNUSA-N 1 1 308.378 2.729 20 5 DFBDMO Cc1cc(N[C@@H](C)CN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596361529 398394709 /nfs/dbraw/zinc/39/47/09/398394709.db2.gz UYEGUYJEESDZCQ-AWEZNQCLSA-N 1 1 308.426 2.587 20 5 DFBDMO O=[N+]([O-])c1cnccc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000066797182 398399407 /nfs/dbraw/zinc/39/94/07/398399407.db2.gz RRZDUKZPINZZSC-UHFFFAOYSA-N 1 1 312.373 2.702 20 5 DFBDMO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000066808313 398399850 /nfs/dbraw/zinc/39/98/50/398399850.db2.gz PILKROPCZJYHKY-ZDUSSCGKSA-N 1 1 312.373 2.849 20 5 DFBDMO CCc1nn(C)c(NCCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000321482323 529767656 /nfs/dbraw/zinc/76/76/56/529767656.db2.gz JBUSQAUUOAGXCK-UHFFFAOYSA-N 1 1 323.441 2.957 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596437564 398411945 /nfs/dbraw/zinc/41/19/45/398411945.db2.gz WSEPQLHLCMGYDK-ZDUSSCGKSA-N 1 1 306.366 2.543 20 5 DFBDMO C[N@@H+](CC(C)(C)C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067379531 398432007 /nfs/dbraw/zinc/43/20/07/398432007.db2.gz KWFBKJITKFDZSI-CQSZACIVSA-N 1 1 305.378 2.678 20 5 DFBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC000297412663 529915720 /nfs/dbraw/zinc/91/57/20/529915720.db2.gz LOFBXALRARZRCJ-UHFFFAOYSA-N 1 1 323.393 2.594 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492599 398433778 /nfs/dbraw/zinc/43/37/78/398433778.db2.gz BMVWNVSTESFSOQ-KBPBESRZSA-N 1 1 321.396 2.946 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000025424681 398440802 /nfs/dbraw/zinc/44/08/02/398440802.db2.gz MBKCDPPHXJZJRH-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000585754767 398445298 /nfs/dbraw/zinc/44/52/98/398445298.db2.gz BPTIJMJXOBTQLF-LBPRGKRZSA-N 1 1 323.368 2.615 20 5 DFBDMO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000596626741 398464006 /nfs/dbraw/zinc/46/40/06/398464006.db2.gz QMPOTGYXDQCZFB-CYBMUJFWSA-N 1 1 320.393 2.898 20 5 DFBDMO O=[N+]([O-])c1c(N[C@H]2CCc3c[nH+]cn3C2)ccc2ncccc21 ZINC000588067619 398479420 /nfs/dbraw/zinc/47/94/20/398479420.db2.gz CTZDQYDXYHTQSW-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO Cc1cc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090145369 398482866 /nfs/dbraw/zinc/48/28/66/398482866.db2.gz YJZHRCSBTIZXKQ-HUUCEWRRSA-N 1 1 305.378 2.568 20 5 DFBDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000030142110 398496253 /nfs/dbraw/zinc/49/62/53/398496253.db2.gz KVDQWFHZSMIVAK-ZDUSSCGKSA-N 1 1 305.378 2.964 20 5 DFBDMO C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000593018997 398522639 /nfs/dbraw/zinc/52/26/39/398522639.db2.gz HPATVPPSXKUXEI-LBPRGKRZSA-N 1 1 300.362 2.978 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593030043 398525418 /nfs/dbraw/zinc/52/54/18/398525418.db2.gz IRLGKLLUJSORGG-NVXWUHKLSA-N 1 1 303.406 2.868 20 5 DFBDMO CN1CCC[C@@H]1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593030043 398525423 /nfs/dbraw/zinc/52/54/23/398525423.db2.gz IRLGKLLUJSORGG-NVXWUHKLSA-N 1 1 303.406 2.868 20 5 DFBDMO CN1CCC[C@@H]1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593030043 398525428 /nfs/dbraw/zinc/52/54/28/398525428.db2.gz IRLGKLLUJSORGG-NVXWUHKLSA-N 1 1 303.406 2.868 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC12CCCC2 ZINC000593039959 398528586 /nfs/dbraw/zinc/52/85/86/398528586.db2.gz UASHKONBRKWDCM-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC12CCCC2 ZINC000593039959 398528588 /nfs/dbraw/zinc/52/85/88/398528588.db2.gz UASHKONBRKWDCM-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000091457792 398530857 /nfs/dbraw/zinc/53/08/57/398530857.db2.gz FYFRQDMBBLPASN-ZDUSSCGKSA-N 1 1 307.394 2.885 20 5 DFBDMO CC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058781 398534004 /nfs/dbraw/zinc/53/40/04/398534004.db2.gz OKHPAGSNOFGLRY-UONOGXRCSA-N 1 1 308.378 2.863 20 5 DFBDMO CC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058781 398534006 /nfs/dbraw/zinc/53/40/06/398534006.db2.gz OKHPAGSNOFGLRY-UONOGXRCSA-N 1 1 308.378 2.863 20 5 DFBDMO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000272634426 210038708 /nfs/dbraw/zinc/03/87/08/210038708.db2.gz NPDNTECENRAJKW-RISCZKNCSA-N 1 1 311.813 2.863 20 5 DFBDMO Cc1cccc(C(=O)NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000068902808 398536316 /nfs/dbraw/zinc/53/63/16/398536316.db2.gz GPNMJWTVMKRFTD-UHFFFAOYSA-N 1 1 319.405 2.898 20 5 DFBDMO Cc1[nH+]cc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C ZINC000596979307 398539615 /nfs/dbraw/zinc/53/96/15/398539615.db2.gz JZTRECGTPZGFEO-UHFFFAOYSA-N 1 1 300.362 2.801 20 5 DFBDMO CC[N@@H+]1CCO[C@@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000318906265 398540605 /nfs/dbraw/zinc/54/06/05/398540605.db2.gz QSHFEHUAOBLHGN-NSHDSACASA-N 1 1 315.320 2.665 20 5 DFBDMO CC[N@H+]1CCO[C@@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000318906265 398540607 /nfs/dbraw/zinc/54/06/07/398540607.db2.gz QSHFEHUAOBLHGN-NSHDSACASA-N 1 1 315.320 2.665 20 5 DFBDMO COc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000320602952 398548783 /nfs/dbraw/zinc/54/87/83/398548783.db2.gz XHURWXVXIITOGZ-GFCCVEGCSA-N 1 1 305.378 2.808 20 5 DFBDMO CC1(CO)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000459625770 299150591 /nfs/dbraw/zinc/15/05/91/299150591.db2.gz YMZUWNARQFKINE-UHFFFAOYSA-N 1 1 302.330 2.669 20 5 DFBDMO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1C ZINC000322378515 398557267 /nfs/dbraw/zinc/55/72/67/398557267.db2.gz MMPIQLHANBMSQY-YHWZYXNKSA-N 1 1 305.378 2.949 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000589514790 398558479 /nfs/dbraw/zinc/55/84/79/398558479.db2.gz MKYGNPIKBJFKHE-RISCZKNCSA-N 1 1 304.346 2.756 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000092218623 398562440 /nfs/dbraw/zinc/56/24/40/398562440.db2.gz OLIWRKSZAFTOSS-OAHLLOKOSA-N 1 1 319.405 2.751 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+](C)CC(C)C ZINC000593205048 398571585 /nfs/dbraw/zinc/57/15/85/398571585.db2.gz UQTGNBPQWXLRNN-UHFFFAOYSA-N 1 1 307.394 2.611 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000597204605 398590248 /nfs/dbraw/zinc/59/02/48/398590248.db2.gz JRAREBNVLJUMRQ-ZNNBYXKUSA-N 1 1 302.374 2.845 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000597212344 398591993 /nfs/dbraw/zinc/59/19/93/398591993.db2.gz UQFARIJYQFMMLE-JSQNTXSXSA-N 1 1 302.374 2.966 20 5 DFBDMO C[NH2+]Cc1ccccc1CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000593317405 398596747 /nfs/dbraw/zinc/59/67/47/398596747.db2.gz JSNXVDGGIOKTAV-UHFFFAOYSA-N 1 1 315.373 2.613 20 5 DFBDMO Cc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000590146280 398600159 /nfs/dbraw/zinc/60/01/59/398600159.db2.gz LAKXAFALVRNTTD-BETUJISGSA-N 1 1 314.389 2.980 20 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ZINC000593470674 398639156 /nfs/dbraw/zinc/63/91/56/398639156.db2.gz CFOMXSDUIUDMBH-KRWDZBQOSA-N 1 1 314.389 2.919 20 5 DFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593470107 398639472 /nfs/dbraw/zinc/63/94/72/398639472.db2.gz PSHYZJPFOZZWDX-NWDGAFQWSA-N 1 1 300.362 2.672 20 5 DFBDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000177857190 186194563 /nfs/dbraw/zinc/19/45/63/186194563.db2.gz IPTJWWXQBNEGKZ-LBPRGKRZSA-N 1 1 323.393 2.910 20 5 DFBDMO CC1([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000183887257 186227574 /nfs/dbraw/zinc/22/75/74/186227574.db2.gz LAUXRMAMCNQYCD-HNNXBMFYSA-N 1 1 320.389 2.612 20 5 DFBDMO CCOc1ccc(NC(=O)C[NH+]2C[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000072872099 398644148 /nfs/dbraw/zinc/64/41/48/398644148.db2.gz ZCRYQEZFLKNICM-VXGBXAGGSA-N 1 1 321.377 2.520 20 5 DFBDMO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000044523762 398647246 /nfs/dbraw/zinc/64/72/46/398647246.db2.gz JDBYZOPOCHUGBF-QWRGUYRKSA-N 1 1 311.407 2.649 20 5 DFBDMO C[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000590659802 398647799 /nfs/dbraw/zinc/64/77/99/398647799.db2.gz USWIOYIQNAELPZ-ABAIWWIYSA-N 1 1 302.330 2.810 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000373059729 282760481 /nfs/dbraw/zinc/76/04/81/282760481.db2.gz RAWPCACOZHBMJI-NSHDSACASA-N 1 1 304.325 2.851 20 5 DFBDMO COc1ccc(-c2ccc(CN[C@H](C)CC[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414883420 295830057 /nfs/dbraw/zinc/83/00/57/295830057.db2.gz AIIDEOLRUZAEKO-LLVKDONJSA-N 1 1 319.361 2.690 20 5 DFBDMO CC1(C)[C@@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000172974018 198172458 /nfs/dbraw/zinc/17/24/58/198172458.db2.gz FJBPOGLPFBFYGQ-BETUJISGSA-N 1 1 314.345 2.733 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000331913296 234268792 /nfs/dbraw/zinc/26/87/92/234268792.db2.gz KUXFSHIAUOCIFP-YYQUZTFQSA-N 1 1 320.389 2.518 20 5 DFBDMO Cc1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)s1 ZINC000331925105 234283490 /nfs/dbraw/zinc/28/34/90/234283490.db2.gz MQVVIYMVKVJTCF-UHFFFAOYSA-N 1 1 321.406 2.702 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174178524 198301344 /nfs/dbraw/zinc/30/13/44/198301344.db2.gz ONVSRVIURCBKAV-AWEZNQCLSA-N 1 1 320.393 2.933 20 5 DFBDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597854990 398705380 /nfs/dbraw/zinc/70/53/80/398705380.db2.gz OMJALLILMYOSFN-ZDUSSCGKSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597854345 398704813 /nfs/dbraw/zinc/70/48/13/398704813.db2.gz GPHRVPJOVJEPQH-CYBMUJFWSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000174716387 198374653 /nfs/dbraw/zinc/37/46/53/198374653.db2.gz LCYXXRQPHABKPT-UHFFFAOYSA-N 1 1 313.357 2.623 20 5 DFBDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862097 198394496 /nfs/dbraw/zinc/39/44/96/198394496.db2.gz IYMSYYKEXGIVCU-KRWDZBQOSA-N 1 1 314.389 2.845 20 5 DFBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925385 398722897 /nfs/dbraw/zinc/72/28/97/398722897.db2.gz ODJINPGMRPKKLJ-ZDUSSCGKSA-N 1 1 305.378 2.506 20 5 DFBDMO CCOc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)ccc1[N+](=O)[O-] ZINC000276984280 213220757 /nfs/dbraw/zinc/22/07/57/213220757.db2.gz YUYGTQJWNROPEE-AWEZNQCLSA-N 1 1 320.389 2.994 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000591149426 398732601 /nfs/dbraw/zinc/73/26/01/398732601.db2.gz ZLVFUQJWZLUTRB-NWDGAFQWSA-N 1 1 308.357 2.582 20 5 DFBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000591152872 398733476 /nfs/dbraw/zinc/73/34/76/398733476.db2.gz NICINETWQAGNLD-VIFPVBQESA-N 1 1 318.299 2.539 20 5 DFBDMO COC[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112986146 398737768 /nfs/dbraw/zinc/73/77/68/398737768.db2.gz MJWJTZMHFQPEOP-AWEZNQCLSA-N 1 1 308.378 2.722 20 5 DFBDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000074320982 398739621 /nfs/dbraw/zinc/73/96/21/398739621.db2.gz WSRMWWLRBONWKK-UHFFFAOYSA-N 1 1 309.366 2.662 20 5 DFBDMO CCC(C)(C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000074320851 398740035 /nfs/dbraw/zinc/74/00/35/398740035.db2.gz VTXTXDUEHPTFGV-UHFFFAOYSA-N 1 1 305.378 2.604 20 5 DFBDMO Cc1c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177097923 198667091 /nfs/dbraw/zinc/66/70/91/198667091.db2.gz PNOUJUGHMIYIIY-WCQYABFASA-N 1 1 318.377 2.604 20 5 DFBDMO COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000080847243 192194795 /nfs/dbraw/zinc/19/47/95/192194795.db2.gz HOCXOJHWGNTRRW-UHFFFAOYSA-N 1 1 302.330 2.941 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000080714894 192184990 /nfs/dbraw/zinc/18/49/90/192184990.db2.gz SBSLTBJPIJCXHP-AGUYFDCRSA-N 1 1 317.389 2.648 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000081361955 192256561 /nfs/dbraw/zinc/25/65/61/192256561.db2.gz MDQKJUDRXOLIJW-AWEZNQCLSA-N 1 1 319.405 2.707 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000075021106 398779824 /nfs/dbraw/zinc/77/98/24/398779824.db2.gz NUYBQTQYWAFHAT-VNHYZAJKSA-N 1 1 308.378 2.597 20 5 DFBDMO CCOc1cc(C[N@@H+](CCC(=O)OC)C(C)C)ccc1[N+](=O)[O-] ZINC000276929725 213182697 /nfs/dbraw/zinc/18/26/97/213182697.db2.gz QPEUBXRTCIGQHA-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCC1CC1 ZINC000135311879 283215414 /nfs/dbraw/zinc/21/54/14/283215414.db2.gz YRFQWXQNFCPLNX-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@]2(CC)CO)ccc1[N+](=O)[O-] ZINC000276919021 213176351 /nfs/dbraw/zinc/17/63/51/213176351.db2.gz OQRBZVBOLAAPLG-INIZCTEOSA-N 1 1 308.378 2.730 20 5 DFBDMO CCOc1cc(C[N@@H+](C)[C@@H](CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000276898912 213162507 /nfs/dbraw/zinc/16/25/07/213162507.db2.gz LGXJEPBHMFVYMO-CQSZACIVSA-N 1 1 310.394 2.832 20 5 DFBDMO COC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179373751 199024563 /nfs/dbraw/zinc/02/45/63/199024563.db2.gz MOZRSAFHOPYZTI-SECBINFHSA-N 1 1 304.293 2.663 20 5 DFBDMO COC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179373751 199024565 /nfs/dbraw/zinc/02/45/65/199024565.db2.gz MOZRSAFHOPYZTI-SECBINFHSA-N 1 1 304.293 2.663 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccn2)CC1 ZINC000075621951 398813095 /nfs/dbraw/zinc/81/30/95/398813095.db2.gz WABXQKCNHAHFDZ-CQSZACIVSA-N 1 1 312.373 2.873 20 5 DFBDMO CC[N@H+]1CC[C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000179455739 199039554 /nfs/dbraw/zinc/03/95/54/199039554.db2.gz NXYCGRWPKJUHJM-CQSZACIVSA-N 1 1 319.405 2.592 20 5 DFBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000075667360 398816150 /nfs/dbraw/zinc/81/61/50/398816150.db2.gz KZUFQMAISIXTMY-ZDUSSCGKSA-N 1 1 311.357 2.503 20 5 DFBDMO Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000051347976 398820328 /nfs/dbraw/zinc/82/03/28/398820328.db2.gz TXBVRGPGSQYZDW-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000051593496 398824796 /nfs/dbraw/zinc/82/47/96/398824796.db2.gz AXLHDZVHUDZMHC-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO C[C@]1(O)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000180184556 199128144 /nfs/dbraw/zinc/12/81/44/199128144.db2.gz DBWRIQQTOGKDKE-HNNXBMFYSA-N 1 1 319.386 2.675 20 5 DFBDMO C[C@]1(O)CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000180184556 199128146 /nfs/dbraw/zinc/12/81/46/199128146.db2.gz DBWRIQQTOGKDKE-HNNXBMFYSA-N 1 1 319.386 2.675 20 5 DFBDMO COc1ccc(C[N@H+]2CC(C)(C)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000598648235 398847619 /nfs/dbraw/zinc/84/76/19/398847619.db2.gz PBHSGBIDZXJCAX-ZDUSSCGKSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000598647038 398846791 /nfs/dbraw/zinc/84/67/91/398846791.db2.gz JSVZRGQGKDEEJZ-AWEZNQCLSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862992 398853628 /nfs/dbraw/zinc/85/36/28/398853628.db2.gz XSXLSWKTZBKVII-AWEZNQCLSA-N 1 1 316.361 2.708 20 5 DFBDMO CC(C)([NH2+]Cc1cnc2n1CCC2)c1ccccc1[N+](=O)[O-] ZINC000594944907 398878340 /nfs/dbraw/zinc/87/83/40/398878340.db2.gz SLCKUCOAMGNPKI-UHFFFAOYSA-N 1 1 300.362 2.762 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000595006033 398890384 /nfs/dbraw/zinc/89/03/84/398890384.db2.gz FFZYEBBRDATMTO-CHWSQXEVSA-N 1 1 319.405 2.738 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000468739897 299281482 /nfs/dbraw/zinc/28/14/82/299281482.db2.gz SLNDKNNAEMSKDL-XCHKQJEOSA-N 1 1 312.373 2.868 20 5 DFBDMO CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000174007983 283393381 /nfs/dbraw/zinc/39/33/81/283393381.db2.gz SQPMLEGABVKISF-UHFFFAOYSA-N 1 1 316.361 2.621 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000595011940 398891897 /nfs/dbraw/zinc/89/18/97/398891897.db2.gz DCLWJEBDACQTTM-QWRGUYRKSA-N 1 1 323.393 2.557 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000595027750 398894139 /nfs/dbraw/zinc/89/41/39/398894139.db2.gz SDUQNQABBZUPMH-GFCCVEGCSA-N 1 1 305.378 2.516 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000595027750 398894142 /nfs/dbraw/zinc/89/41/42/398894142.db2.gz SDUQNQABBZUPMH-GFCCVEGCSA-N 1 1 305.378 2.516 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041957 398896379 /nfs/dbraw/zinc/89/63/79/398896379.db2.gz RHYMXXRQCQVRKN-OLZOCXBDSA-N 1 1 309.410 2.984 20 5 DFBDMO C[N@@H+](CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000144598889 398906508 /nfs/dbraw/zinc/90/65/08/398906508.db2.gz UOWUFCZHRBSACN-UHFFFAOYSA-N 1 1 319.405 2.716 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054676754 398907272 /nfs/dbraw/zinc/90/72/72/398907272.db2.gz HXRPRWPTJAIZEL-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000187830609 200162927 /nfs/dbraw/zinc/16/29/27/200162927.db2.gz FSVBKJUCJUXUOX-BHVCSQLQSA-N 1 1 312.435 2.615 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188420660 200242853 /nfs/dbraw/zinc/24/28/53/200242853.db2.gz PLJDLIKGIPJRBJ-MRXNPFEDSA-N 1 1 300.362 2.764 20 5 DFBDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595329370 398923053 /nfs/dbraw/zinc/92/30/53/398923053.db2.gz QZYWHMVMATYMCN-LBPRGKRZSA-N 1 1 317.345 2.889 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333868 398923648 /nfs/dbraw/zinc/92/36/48/398923648.db2.gz JWQROPYCEXWCKK-GFCCVEGCSA-N 1 1 324.352 2.898 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333868 398923649 /nfs/dbraw/zinc/92/36/49/398923649.db2.gz JWQROPYCEXWCKK-GFCCVEGCSA-N 1 1 324.352 2.898 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(F)c1 ZINC000152204419 398929874 /nfs/dbraw/zinc/92/98/74/398929874.db2.gz YRUKPYOTYNHFLY-HNNXBMFYSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c(F)c1 ZINC000152204419 398929877 /nfs/dbraw/zinc/92/98/77/398929877.db2.gz YRUKPYOTYNHFLY-HNNXBMFYSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000595387910 398930626 /nfs/dbraw/zinc/93/06/26/398930626.db2.gz FAUNKQYXFIRCMZ-GXTWGEPZSA-N 1 1 308.353 2.982 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152465841 398931154 /nfs/dbraw/zinc/93/11/54/398931154.db2.gz LYDWINJZAPTBPE-CYBMUJFWSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152465841 398931159 /nfs/dbraw/zinc/93/11/59/398931159.db2.gz LYDWINJZAPTBPE-CYBMUJFWSA-N 1 1 317.320 2.782 20 5 DFBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000471803958 299306151 /nfs/dbraw/zinc/30/61/51/299306151.db2.gz KHBXQMUKUDQQHN-RYUDHWBXSA-N 1 1 302.330 2.810 20 5 DFBDMO Cc1noc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595433293 398937314 /nfs/dbraw/zinc/93/73/14/398937314.db2.gz YESPJYYPYVQPRN-CYBMUJFWSA-N 1 1 317.345 2.792 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595433293 398937319 /nfs/dbraw/zinc/93/73/19/398937319.db2.gz YESPJYYPYVQPRN-CYBMUJFWSA-N 1 1 317.345 2.792 20 5 DFBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474891 398946483 /nfs/dbraw/zinc/94/64/83/398946483.db2.gz HVMBXPBJHIRVRK-AWEZNQCLSA-N 1 1 323.368 2.615 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c1[N+](=O)[O-] ZINC000595481463 398946997 /nfs/dbraw/zinc/94/69/97/398946997.db2.gz HJFOSJVGGDCPKY-WOSRLPQWSA-N 1 1 323.393 2.797 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506727 398953524 /nfs/dbraw/zinc/95/35/24/398953524.db2.gz GZPVCETUQXJNRM-QGZVFWFLSA-N 1 1 319.405 2.521 20 5 DFBDMO COc1c(C)c[nH+]c(CN(C)Cc2onc(C)c2[N+](=O)[O-])c1C ZINC000595509304 398954254 /nfs/dbraw/zinc/95/42/54/398954254.db2.gz QLRGKTXTCDKMGL-UHFFFAOYSA-N 1 1 320.349 2.544 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+](C2CC2)C2(CO)CCC2)cc1 ZINC000595542717 398963329 /nfs/dbraw/zinc/96/33/29/398963329.db2.gz WMYBKGGHCSTUCM-UHFFFAOYSA-N 1 1 320.389 2.743 20 5 DFBDMO CCN(Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCC[N@H+]1CC ZINC000599368320 398963918 /nfs/dbraw/zinc/96/39/18/398963918.db2.gz AWSLSTAYTWXBBQ-INIZCTEOSA-N 1 1 321.421 2.910 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595547683 398965951 /nfs/dbraw/zinc/96/59/51/398965951.db2.gz ZACLWIJIRICAND-HNNXBMFYSA-N 1 1 310.325 2.509 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595547683 398965956 /nfs/dbraw/zinc/96/59/56/398965956.db2.gz ZACLWIJIRICAND-HNNXBMFYSA-N 1 1 310.325 2.509 20 5 DFBDMO C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000292671049 223194347 /nfs/dbraw/zinc/19/43/47/223194347.db2.gz MDSMZPWFRHOZFD-SNVBAGLBSA-N 1 1 310.304 2.907 20 5 DFBDMO Cc1noc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595562418 398973622 /nfs/dbraw/zinc/97/36/22/398973622.db2.gz KNJTZHFBVZSZGV-ZDUSSCGKSA-N 1 1 303.318 2.545 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595562418 398973627 /nfs/dbraw/zinc/97/36/27/398973627.db2.gz KNJTZHFBVZSZGV-ZDUSSCGKSA-N 1 1 303.318 2.545 20 5 DFBDMO Cc1nn(C)c(Nc2ccc3c(c2)[nH+]c(C)n3C)c1[N+](=O)[O-] ZINC000078674658 398979142 /nfs/dbraw/zinc/97/91/42/398979142.db2.gz NJEBZUKHYKPVPE-UHFFFAOYSA-N 1 1 300.322 2.575 20 5 DFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595591050 398988160 /nfs/dbraw/zinc/98/81/60/398988160.db2.gz CJHSGZCWOJFUKR-INIZCTEOSA-N 1 1 300.358 2.630 20 5 DFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595590743 398988312 /nfs/dbraw/zinc/98/83/12/398988312.db2.gz BFYRIOCUDJVGCY-MRXNPFEDSA-N 1 1 318.348 2.769 20 5 DFBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)Cc1ccccc1 ZINC000595593862 398989771 /nfs/dbraw/zinc/98/97/71/398989771.db2.gz AQSHIORVRGMLMC-QGZVFWFLSA-N 1 1 300.358 2.630 20 5 DFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)Cc1ccccc1 ZINC000595595214 398990544 /nfs/dbraw/zinc/99/05/44/398990544.db2.gz IHBZKXIPZGGGMJ-QGZVFWFLSA-N 1 1 300.358 2.630 20 5 DFBDMO Cc1ccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000600181286 398992588 /nfs/dbraw/zinc/99/25/88/398992588.db2.gz NFLMLTGVXYFRPR-QGZVFWFLSA-N 1 1 316.357 2.606 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275465645 212352119 /nfs/dbraw/zinc/35/21/19/212352119.db2.gz NVMQCLCFHOGWCV-INIZCTEOSA-N 1 1 322.405 2.975 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275465645 212352123 /nfs/dbraw/zinc/35/21/23/212352123.db2.gz NVMQCLCFHOGWCV-INIZCTEOSA-N 1 1 322.405 2.975 20 5 DFBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000600230111 399015126 /nfs/dbraw/zinc/01/51/26/399015126.db2.gz ZKCLTTUENCZPRW-CYBMUJFWSA-N 1 1 323.418 2.793 20 5 DFBDMO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000595667274 399026702 /nfs/dbraw/zinc/02/67/02/399026702.db2.gz FFZGLIVGSRJYTB-JTQLQIEISA-N 1 1 320.374 2.731 20 5 DFBDMO C[C@@H]1COC2(CCC2)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595674313 399028949 /nfs/dbraw/zinc/02/89/49/399028949.db2.gz KGXGIAXEOQEPBU-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@@H]1COC2(CCC2)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595674313 399028953 /nfs/dbraw/zinc/02/89/53/399028953.db2.gz KGXGIAXEOQEPBU-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c(Cl)c1 ZINC000599636335 399038034 /nfs/dbraw/zinc/03/80/34/399038034.db2.gz DHIKFVNTUOSAMU-SWLSCSKDSA-N 1 1 310.781 2.843 20 5 DFBDMO Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cccc1[N+](=O)[O-] ZINC000599641246 399040481 /nfs/dbraw/zinc/04/04/81/399040481.db2.gz LXWVCPIZSMCNPW-HNNXBMFYSA-N 1 1 314.345 2.736 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cccc1[N+](=O)[O-] ZINC000599641246 399040484 /nfs/dbraw/zinc/04/04/84/399040484.db2.gz LXWVCPIZSMCNPW-HNNXBMFYSA-N 1 1 314.345 2.736 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000599655387 399048618 /nfs/dbraw/zinc/04/86/18/399048618.db2.gz VZTFGOKGGHZOTO-LZWOXQAQSA-N 1 1 318.373 2.758 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000057619820 399052271 /nfs/dbraw/zinc/05/22/71/399052271.db2.gz UJLSKWHASMKCRA-MRXNPFEDSA-N 1 1 320.389 2.742 20 5 DFBDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600473168 399058937 /nfs/dbraw/zinc/05/89/37/399058937.db2.gz SLVHCFXYMNHXGA-OAHLLOKOSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595729071 399059171 /nfs/dbraw/zinc/05/91/71/399059171.db2.gz PSWJGEFRKJBKDS-WOSRLPQWSA-N 1 1 317.389 2.565 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000599687275 399064721 /nfs/dbraw/zinc/06/47/21/399064721.db2.gz AAZACKGTYXYYAI-PTEHBNRSSA-N 1 1 324.352 2.896 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000599687275 399064723 /nfs/dbraw/zinc/06/47/23/399064723.db2.gz AAZACKGTYXYYAI-PTEHBNRSSA-N 1 1 324.352 2.896 20 5 DFBDMO C[C@H](O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292803688 284008937 /nfs/dbraw/zinc/00/89/37/284008937.db2.gz MMOURYMWQYYRBX-VIFPVBQESA-N 1 1 306.284 2.816 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000595780362 399081029 /nfs/dbraw/zinc/08/10/29/399081029.db2.gz JHLSHOBYVSBGQG-OLZOCXBDSA-N 1 1 308.378 2.993 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781381 399083103 /nfs/dbraw/zinc/08/31/03/399083103.db2.gz RCUJZIJLFPPUQO-OLZOCXBDSA-N 1 1 308.378 2.993 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781381 399083106 /nfs/dbraw/zinc/08/31/06/399083106.db2.gz RCUJZIJLFPPUQO-OLZOCXBDSA-N 1 1 308.378 2.993 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000305151363 284037020 /nfs/dbraw/zinc/03/70/20/284037020.db2.gz ADUCHSKUFVSTQD-KGLIPLIRSA-N 1 1 322.405 2.975 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000595807004 399091868 /nfs/dbraw/zinc/09/18/68/399091868.db2.gz OKPKECCPBYZVRI-UHFFFAOYSA-N 1 1 318.373 2.939 20 5 DFBDMO CCC(CC)CCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000595836763 399106962 /nfs/dbraw/zinc/10/69/62/399106962.db2.gz ZGPLRROYQCRZHV-UHFFFAOYSA-N 1 1 309.410 2.905 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419382966 296138346 /nfs/dbraw/zinc/13/83/46/296138346.db2.gz ZOQBWBIHBVVWPT-QJPTWQEYSA-N 1 1 321.377 2.518 20 5 DFBDMO C[C@@H]1[C@H](C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000419375466 296137693 /nfs/dbraw/zinc/13/76/93/296137693.db2.gz RNFLXUDVJXLQJT-NFFDBFGFSA-N 1 1 317.389 2.676 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419379361 296138024 /nfs/dbraw/zinc/13/80/24/296138024.db2.gz WPUIJMWBQVCYET-YVECIDJPSA-N 1 1 305.378 2.898 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419380423 296138067 /nfs/dbraw/zinc/13/80/67/296138067.db2.gz XKJOHRNBAFPMAR-FVCCEPFGSA-N 1 1 305.378 2.898 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000339230049 284137777 /nfs/dbraw/zinc/13/77/77/284137777.db2.gz DXVLAIRSUYZFTR-CQSZACIVSA-N 1 1 319.405 2.818 20 5 DFBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595848727 399112294 /nfs/dbraw/zinc/11/22/94/399112294.db2.gz OVZWUBIWULHRGW-KLPPZKSPSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595848727 399112301 /nfs/dbraw/zinc/11/23/01/399112301.db2.gz OVZWUBIWULHRGW-KLPPZKSPSA-N 1 1 312.753 2.632 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595874597 399118942 /nfs/dbraw/zinc/11/89/42/399118942.db2.gz VNCLYNJHPXFRLK-UHFFFAOYSA-N 1 1 319.409 2.681 20 5 DFBDMO CCOCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000093316090 193230192 /nfs/dbraw/zinc/23/01/92/193230192.db2.gz YSBBOXDZTUKIEF-NSHDSACASA-N 1 1 320.349 2.674 20 5 DFBDMO CCOCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000093316090 193230193 /nfs/dbraw/zinc/23/01/93/193230193.db2.gz YSBBOXDZTUKIEF-NSHDSACASA-N 1 1 320.349 2.674 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1=CCSC1 ZINC000595889283 399123952 /nfs/dbraw/zinc/12/39/52/399123952.db2.gz UFGDLKHDCAPITN-LLVKDONJSA-N 1 1 321.402 2.527 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1=CCSC1 ZINC000595889283 399123957 /nfs/dbraw/zinc/12/39/57/399123957.db2.gz UFGDLKHDCAPITN-LLVKDONJSA-N 1 1 321.402 2.527 20 5 DFBDMO COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])cc1OC ZINC000093661073 193284840 /nfs/dbraw/zinc/28/48/40/193284840.db2.gz PGZHMQLCRSGYRW-TXEJJXNPSA-N 1 1 306.362 2.700 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271748004 209179378 /nfs/dbraw/zinc/17/93/78/209179378.db2.gz XYCFZBFNZBMATH-ZDUSSCGKSA-N 1 1 322.409 2.687 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331918881 284192339 /nfs/dbraw/zinc/19/23/39/284192339.db2.gz GZWYNMXKZPRXOZ-BMFZPTHFSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000331918881 284192341 /nfs/dbraw/zinc/19/23/41/284192341.db2.gz GZWYNMXKZPRXOZ-BMFZPTHFSA-N 1 1 318.373 2.901 20 5 DFBDMO [NH3+]C[C@H]1CCc2ccccc2N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595909558 399131525 /nfs/dbraw/zinc/13/15/25/399131525.db2.gz FITGMQCQPHFZTH-CQSZACIVSA-N 1 1 313.357 2.581 20 5 DFBDMO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595909557 399131572 /nfs/dbraw/zinc/13/15/72/399131572.db2.gz FITGMQCQPHFZTH-AWEZNQCLSA-N 1 1 313.357 2.581 20 5 DFBDMO Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)cc1[N+](=O)[O-] ZINC000080464139 399150785 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C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618584830 399170528 /nfs/dbraw/zinc/17/05/28/399170528.db2.gz OIBGQNULLAIERF-LSDHHAIUSA-N 1 1 315.377 2.534 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(CO)cc1 ZINC000282554065 217085541 /nfs/dbraw/zinc/08/55/41/217085541.db2.gz XNBXSXVCRNWORF-UHFFFAOYSA-N 1 1 300.358 2.762 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1C ZINC000342472175 284339480 /nfs/dbraw/zinc/33/94/80/284339480.db2.gz JXONMERNDTUCHQ-ZJUUUORDSA-N 1 1 321.406 2.518 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600955936 399186268 /nfs/dbraw/zinc/18/62/68/399186268.db2.gz KAYQZPWVIZHHCZ-LBPRGKRZSA-N 1 1 323.368 2.728 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596139892 399188060 /nfs/dbraw/zinc/18/80/60/399188060.db2.gz XAWCOQMHTNKVEQ-LLVKDONJSA-N 1 1 312.801 2.954 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596147045 399189844 /nfs/dbraw/zinc/18/98/44/399189844.db2.gz LXRKQHBPKUVAKS-GFCCVEGCSA-N 1 1 324.812 2.811 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266191283 205171959 /nfs/dbraw/zinc/17/19/59/205171959.db2.gz BQRHPUBKPYCJJZ-AAEUAGOBSA-N 1 1 322.365 2.670 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000266200007 205178664 /nfs/dbraw/zinc/17/86/64/205178664.db2.gz JBAKTRIPIDWEFF-CYBMUJFWSA-N 1 1 307.394 2.772 20 5 DFBDMO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000600998531 399198818 /nfs/dbraw/zinc/19/88/18/399198818.db2.gz WQRALIZXAGWGNW-NEPJUHHUSA-N 1 1 323.368 2.584 20 5 DFBDMO COCCC[N@H+]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000081086224 399210541 /nfs/dbraw/zinc/21/05/41/399210541.db2.gz ZVBNJEZIBOUZQC-HNNXBMFYSA-N 1 1 321.421 2.700 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000288464077 220159808 /nfs/dbraw/zinc/15/98/08/220159808.db2.gz FDLBDQWPKULFMW-ZDUSSCGKSA-N 1 1 309.410 2.813 20 5 DFBDMO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000288464077 220159811 /nfs/dbraw/zinc/15/98/11/220159811.db2.gz FDLBDQWPKULFMW-ZDUSSCGKSA-N 1 1 309.410 2.813 20 5 DFBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000342704659 284392066 /nfs/dbraw/zinc/39/20/66/284392066.db2.gz SBBSXKJUWFNULY-AWEZNQCLSA-N 1 1 308.378 2.852 20 5 DFBDMO CCOC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000064343771 399220538 /nfs/dbraw/zinc/22/05/38/399220538.db2.gz FEACSKVTNWCLKY-UHFFFAOYSA-N 1 1 306.362 2.760 20 5 DFBDMO Cc1n[nH]cc1CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601101815 399226978 /nfs/dbraw/zinc/22/69/78/399226978.db2.gz VILCMPGHOCNTAH-UHFFFAOYSA-N 1 1 311.345 2.641 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3CCC[C@@H](O)C3)c2c1 ZINC000601119073 399232665 /nfs/dbraw/zinc/23/26/65/399232665.db2.gz LTUUARJYIYCQQS-WCQYABFASA-N 1 1 301.346 2.528 20 5 DFBDMO COC(=O)C[C@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601132220 399236422 /nfs/dbraw/zinc/23/64/22/399236422.db2.gz BMBXBUWZLKGAFS-LLVKDONJSA-N 1 1 315.329 2.675 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420945308 296216044 /nfs/dbraw/zinc/21/60/44/296216044.db2.gz RNEGYJIHMBJLDC-KGLIPLIRSA-N 1 1 322.405 2.832 20 5 DFBDMO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000022858490 182337474 /nfs/dbraw/zinc/33/74/74/182337474.db2.gz PYLVZIHIAUSTKT-CQSZACIVSA-N 1 1 317.345 2.529 20 5 DFBDMO Cc1c(CN(C)c2cc[nH+]c3ccc([N+](=O)[O-])cc32)cnn1C ZINC000601156760 399244092 /nfs/dbraw/zinc/24/40/92/399244092.db2.gz YZMPUXDLADFGGL-UHFFFAOYSA-N 1 1 311.345 2.821 20 5 DFBDMO CC[C@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420964878 296218498 /nfs/dbraw/zinc/21/84/98/296218498.db2.gz XKTJGBXCVQFSSZ-KBPBESRZSA-N 1 1 308.378 2.863 20 5 DFBDMO C[N@@H+](CCCCNc1ccnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000601173401 399247827 /nfs/dbraw/zinc/24/78/27/399247827.db2.gz ZZXTTZSVRGAJBO-UHFFFAOYSA-N 1 1 314.389 2.851 20 5 DFBDMO C[C@H]1[C@@H](CO)CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601175430 399248587 /nfs/dbraw/zinc/24/85/87/399248587.db2.gz ODSXKNUMRJMESQ-NWDGAFQWSA-N 1 1 301.346 2.740 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCC3(CO)CCC3)c2c1 ZINC000601183873 399249997 /nfs/dbraw/zinc/24/99/97/399249997.db2.gz GRAABAMFYHQNGK-UHFFFAOYSA-N 1 1 301.346 2.530 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421014548 296225508 /nfs/dbraw/zinc/22/55/08/296225508.db2.gz KOMSDVWSPQBVQB-WFASDCNBSA-N 1 1 308.378 2.727 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421014548 296225509 /nfs/dbraw/zinc/22/55/09/296225509.db2.gz KOMSDVWSPQBVQB-WFASDCNBSA-N 1 1 308.378 2.727 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421014608 296225695 /nfs/dbraw/zinc/22/56/95/296225695.db2.gz KQMJNNNXGWDNMG-CQSZACIVSA-N 1 1 322.405 2.978 20 5 DFBDMO CC[N@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000601228975 399259788 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2.624 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000609133572 399304587 /nfs/dbraw/zinc/30/45/87/399304587.db2.gz JSRRUNXIRMTORT-CYBMUJFWSA-N 1 1 303.362 2.716 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609257667 399310917 /nfs/dbraw/zinc/31/09/17/399310917.db2.gz BWVHLYNGFQRBGO-OAHLLOKOSA-N 1 1 316.361 2.507 20 5 DFBDMO CC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000609540923 399321934 /nfs/dbraw/zinc/32/19/34/399321934.db2.gz RWJBDQACTHLMPX-HIFRSBDPSA-N 1 1 308.378 2.863 20 5 DFBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)CO1 ZINC000609671972 399329502 /nfs/dbraw/zinc/32/95/02/399329502.db2.gz SLRBPHFPUCYNBF-UHFFFAOYSA-N 1 1 308.378 2.863 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610070357 399341147 /nfs/dbraw/zinc/34/11/47/399341147.db2.gz XNNVQFGDQUZDSJ-UHFFFAOYSA-N 1 1 321.421 2.721 20 5 DFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000610133303 399343393 /nfs/dbraw/zinc/34/33/93/399343393.db2.gz BRAZZIHQOOMYNF-QWRGUYRKSA-N 1 1 302.334 2.875 20 5 DFBDMO Cc1c(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000104977054 194061240 /nfs/dbraw/zinc/06/12/40/194061240.db2.gz FBKUSTISAQSJJK-CYBMUJFWSA-N 1 1 318.377 2.605 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284736112 218154991 /nfs/dbraw/zinc/15/49/91/218154991.db2.gz KPWXPGGRVFQBOH-DZGCQCFKSA-N 1 1 321.333 2.646 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284736112 218154993 /nfs/dbraw/zinc/15/49/93/218154993.db2.gz KPWXPGGRVFQBOH-DZGCQCFKSA-N 1 1 321.333 2.646 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000619531377 399358895 /nfs/dbraw/zinc/35/88/95/399358895.db2.gz ZDPRWMBBTAPQCC-HNNXBMFYSA-N 1 1 316.361 2.637 20 5 DFBDMO COc1cccc([C@H](CO)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000610422024 399366337 /nfs/dbraw/zinc/36/63/37/399366337.db2.gz KIPOFXHUVGCXPE-LRDDRELGSA-N 1 1 316.357 2.988 20 5 DFBDMO O=C(CCn1cc[nH+]c1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000601960204 399369475 /nfs/dbraw/zinc/36/94/75/399369475.db2.gz QUUCHBBBOIZTGW-UHFFFAOYSA-N 1 1 300.318 2.698 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000610476736 399371400 /nfs/dbraw/zinc/37/14/00/399371400.db2.gz YDMCMCRNNYSVDW-JKSUJKDBSA-N 1 1 307.369 2.793 20 5 DFBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(OC)cc1 ZINC000610484996 399372144 /nfs/dbraw/zinc/37/21/44/399372144.db2.gz CJBRUHCRMDYTGC-UHFFFAOYSA-N 1 1 318.377 2.712 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ncc(C)cc1[N+](=O)[O-] ZINC000610576036 399381698 /nfs/dbraw/zinc/38/16/98/399381698.db2.gz GOOLEPWUMOJAAD-KGLIPLIRSA-N 1 1 304.394 2.751 20 5 DFBDMO C[S@](=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000610591746 399384656 /nfs/dbraw/zinc/38/46/56/399384656.db2.gz URRGLTSDUHHYBI-NRFANRHFSA-N 1 1 304.371 2.622 20 5 DFBDMO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000602022239 399386134 /nfs/dbraw/zinc/38/61/34/399386134.db2.gz SBUIBHINYGYJQP-QWHCGFSZSA-N 1 1 315.373 2.881 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000285319202 218379211 /nfs/dbraw/zinc/37/92/11/218379211.db2.gz MTSXYXQNRARZPG-KRWDZBQOSA-N 1 1 318.348 2.942 20 5 DFBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCCC(C)(C)C ZINC000285347178 218391446 /nfs/dbraw/zinc/39/14/46/218391446.db2.gz PGXOXXJSYBCLIL-UHFFFAOYSA-N 1 1 321.421 2.622 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCCC(C)(C)C ZINC000285347178 218391447 /nfs/dbraw/zinc/39/14/47/218391447.db2.gz PGXOXXJSYBCLIL-UHFFFAOYSA-N 1 1 321.421 2.622 20 5 DFBDMO C[C@@H](NC(=O)[C@@H]1CC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602070702 399391397 /nfs/dbraw/zinc/39/13/97/399391397.db2.gz HYQRUNGMCZQPEH-WBMJQRKESA-N 1 1 317.389 2.789 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000610674847 399391140 /nfs/dbraw/zinc/39/11/40/399391140.db2.gz KCNVBWJGAOKYHM-YPMHNXCESA-N 1 1 320.393 2.673 20 5 DFBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000602152454 399402235 /nfs/dbraw/zinc/40/22/35/399402235.db2.gz VUQMRAYKLBDFTL-UHFFFAOYSA-N 1 1 321.421 2.574 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000611088335 399433643 /nfs/dbraw/zinc/43/36/43/399433643.db2.gz QCUOLXBFCDBIRN-NSHDSACASA-N 1 1 317.345 2.507 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000611088335 399433646 /nfs/dbraw/zinc/43/36/46/399433646.db2.gz QCUOLXBFCDBIRN-NSHDSACASA-N 1 1 317.345 2.507 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000602425817 399441067 /nfs/dbraw/zinc/44/10/67/399441067.db2.gz VIXCEIJBDVAIRZ-JTQLQIEISA-N 1 1 318.295 2.818 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](C(F)F)C3)n2)c1 ZINC000611180543 399442790 /nfs/dbraw/zinc/44/27/90/399442790.db2.gz ZDKWKCFOUUFDEP-SNVBAGLBSA-N 1 1 324.287 2.732 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](C(F)F)C3)n2)c1 ZINC000611180543 399442791 /nfs/dbraw/zinc/44/27/91/399442791.db2.gz ZDKWKCFOUUFDEP-SNVBAGLBSA-N 1 1 324.287 2.732 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179881 399443001 /nfs/dbraw/zinc/44/30/01/399443001.db2.gz MOPONNVRPMBGHW-UWVGGRQHSA-N 1 1 313.304 2.509 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179881 399443005 /nfs/dbraw/zinc/44/30/05/399443005.db2.gz MOPONNVRPMBGHW-UWVGGRQHSA-N 1 1 313.304 2.509 20 5 DFBDMO CCC[N@@H+](CCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602434768 399443542 /nfs/dbraw/zinc/44/35/42/399443542.db2.gz RDYZNBSLAXINKP-UHFFFAOYSA-N 1 1 306.284 2.818 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000602427821 399441643 /nfs/dbraw/zinc/44/16/43/399441643.db2.gz CPXPZORLULQQMC-NSHDSACASA-N 1 1 304.268 2.570 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000602427821 399441645 /nfs/dbraw/zinc/44/16/45/399441645.db2.gz CPXPZORLULQQMC-NSHDSACASA-N 1 1 304.268 2.570 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000269063709 207212881 /nfs/dbraw/zinc/21/28/81/207212881.db2.gz UUOWVVMKXQYKLA-RHSMWYFYSA-N 1 1 320.389 2.730 20 5 DFBDMO Cn1cc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602469865 399453103 /nfs/dbraw/zinc/45/31/03/399453103.db2.gz FNEDPTOWDHDOQW-AWEZNQCLSA-N 1 1 318.402 2.618 20 5 DFBDMO Cn1cc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602469865 399453107 /nfs/dbraw/zinc/45/31/07/399453107.db2.gz FNEDPTOWDHDOQW-AWEZNQCLSA-N 1 1 318.402 2.618 20 5 DFBDMO CC[C@H](C)[C@@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602471377 399453300 /nfs/dbraw/zinc/45/33/00/399453300.db2.gz CMJOXGDMYAMLER-GZBFAFLISA-N 1 1 322.409 2.537 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000602476352 399456037 /nfs/dbraw/zinc/45/60/37/399456037.db2.gz ODPRIZQSNUHPHM-CJNGLKHVSA-N 1 1 314.389 2.954 20 5 DFBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478455 399457514 /nfs/dbraw/zinc/45/75/14/399457514.db2.gz YKMBXFATLWLFAZ-SWLSCSKDSA-N 1 1 300.362 2.706 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000602494315 399460649 /nfs/dbraw/zinc/46/06/49/399460649.db2.gz NMCHLIUUTQKVKF-RNCFNFMXSA-N 1 1 318.295 2.816 20 5 DFBDMO CC(C)C[C@H](CN(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602538290 399470823 /nfs/dbraw/zinc/47/08/23/399470823.db2.gz CAGWQIKXWSQTBE-GFCCVEGCSA-N 1 1 320.393 2.802 20 5 DFBDMO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422740153 296324385 /nfs/dbraw/zinc/32/43/85/296324385.db2.gz MNFJUIZKTQGOCV-KDOFPFPSSA-N 1 1 313.401 2.685 20 5 DFBDMO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501482 399483365 /nfs/dbraw/zinc/48/33/65/399483365.db2.gz CPDIYMPVIQCXPM-YPMHNXCESA-N 1 1 312.341 2.662 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000611501482 399483367 /nfs/dbraw/zinc/48/33/67/399483367.db2.gz CPDIYMPVIQCXPM-YPMHNXCESA-N 1 1 312.341 2.662 20 5 DFBDMO CCOc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000611510286 399485266 /nfs/dbraw/zinc/48/52/66/399485266.db2.gz GXAFIBUQKHZNDO-SWLSCSKDSA-N 1 1 305.378 2.524 20 5 DFBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000611526303 399488096 /nfs/dbraw/zinc/48/80/96/399488096.db2.gz HRWJEOGYRJUKJO-UHFFFAOYSA-N 1 1 313.357 2.623 20 5 DFBDMO CCC[N@@H+](CCc1cccs1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602615537 399490973 /nfs/dbraw/zinc/49/09/73/399490973.db2.gz FCMACDIUVSKJRQ-UHFFFAOYSA-N 1 1 308.407 2.845 20 5 DFBDMO COc1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611579319 399496332 /nfs/dbraw/zinc/49/63/32/399496332.db2.gz VJXNFBHMBKEKQN-NSHDSACASA-N 1 1 316.304 2.807 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1[N+](=O)[O-] ZINC000611579319 399496334 /nfs/dbraw/zinc/49/63/34/399496334.db2.gz VJXNFBHMBKEKQN-NSHDSACASA-N 1 1 316.304 2.807 20 5 DFBDMO Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)c(N2CCCC2)[nH+]1 ZINC000611583866 399497340 /nfs/dbraw/zinc/49/73/40/399497340.db2.gz FVPMCQVVIYXGMK-UHFFFAOYSA-N 1 1 313.361 2.906 20 5 DFBDMO Cn1cc(C[NH+]2CCC(F)(c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602640810 399499799 /nfs/dbraw/zinc/49/97/99/399499799.db2.gz RDNZOGPZVDWYPF-UHFFFAOYSA-N 1 1 318.352 2.789 20 5 DFBDMO COc1cncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000602649500 399502466 /nfs/dbraw/zinc/50/24/66/399502466.db2.gz JZNRSAQLQCBYTE-UHFFFAOYSA-N 1 1 315.373 2.981 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)OCCO3)c(Cl)c1 ZINC000119659680 195011910 /nfs/dbraw/zinc/01/19/10/195011910.db2.gz UXNQVILYQCQVRM-UHFFFAOYSA-N 1 1 312.753 2.587 20 5 DFBDMO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000602678938 399516873 /nfs/dbraw/zinc/51/68/73/399516873.db2.gz ZVPFNPMNLZCBKD-LBPRGKRZSA-N 1 1 305.334 2.735 20 5 DFBDMO C[N@H+](CC[C@@H]1CCOC1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120067116 195090656 /nfs/dbraw/zinc/09/06/56/195090656.db2.gz HSLXOQMSOUMKAY-SNVBAGLBSA-N 1 1 312.753 2.633 20 5 DFBDMO C[N@@H+](CC[C@@H]1CCOC1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000120067116 195090658 /nfs/dbraw/zinc/09/06/58/195090658.db2.gz HSLXOQMSOUMKAY-SNVBAGLBSA-N 1 1 312.753 2.633 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602686906 399520267 /nfs/dbraw/zinc/52/02/67/399520267.db2.gz SDCQGFSWOJABKD-CYBMUJFWSA-N 1 1 318.377 2.651 20 5 DFBDMO O=[N+]([O-])c1c(F)cccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301333254 285076912 /nfs/dbraw/zinc/07/69/12/285076912.db2.gz FIXGSKGZAUPMIZ-SGMGOOAPSA-N 1 1 305.353 2.654 20 5 DFBDMO CC1=CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000270116277 208177594 /nfs/dbraw/zinc/17/75/94/208177594.db2.gz DZFSOZBRJNZEQJ-UHFFFAOYSA-N 1 1 300.318 2.797 20 5 DFBDMO CC1=CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000270116277 208177600 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314.389 2.982 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000159000630 197318383 /nfs/dbraw/zinc/31/83/83/197318383.db2.gz JJIQXOCCBXXZHE-LSDHHAIUSA-N 1 1 319.405 2.662 20 5 DFBDMO [NH3+]C[C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088463 296376601 /nfs/dbraw/zinc/37/66/01/296376601.db2.gz QFEHSUAXKCEFMG-MFKMUULPSA-N 1 1 317.311 2.831 20 5 DFBDMO C[C@H](C[C@H](C)[NH3+])NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088477 296376709 /nfs/dbraw/zinc/37/67/09/296376709.db2.gz QGNPINZFCXGDQU-DTWKUNHWSA-N 1 1 305.300 2.829 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000602760794 399559608 /nfs/dbraw/zinc/55/96/08/399559608.db2.gz BZVZSUIBCPRHQS-HNNXBMFYSA-N 1 1 300.362 2.719 20 5 DFBDMO Cc1c(C[NH2+][C@](C)(CO)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000347713652 285141721 /nfs/dbraw/zinc/14/17/21/285141721.db2.gz BWHSXLSHXBVGKB-QGZVFWFLSA-N 1 1 316.357 2.606 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2ccccc2F)C1 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DFBDMO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000355339666 147272588 /nfs/dbraw/zinc/27/25/88/147272588.db2.gz UUJCHRIIODTLDX-ZIAGYGMSSA-N 1 1 324.425 2.744 20 5 DFBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000355652931 147398378 /nfs/dbraw/zinc/39/83/78/147398378.db2.gz DPNWBUNGGOQXNX-CYBMUJFWSA-N 1 1 320.393 2.675 20 5 DFBDMO CC(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438490699 297095223 /nfs/dbraw/zinc/09/52/23/297095223.db2.gz LLZQJUUGFQNGSS-CYBMUJFWSA-N 1 1 305.378 2.901 20 5 DFBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000350093017 286003495 /nfs/dbraw/zinc/00/34/95/286003495.db2.gz VKQRVTUPOKHIEQ-HUUCEWRRSA-N 1 1 324.425 2.707 20 5 DFBDMO CCOc1cc(N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000357565074 148040243 /nfs/dbraw/zinc/04/02/43/148040243.db2.gz JMDKYKNUNHZMEY-JTQLQIEISA-N 1 1 302.334 2.686 20 5 DFBDMO CCOc1cc(N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000357565074 148040245 /nfs/dbraw/zinc/04/02/45/148040245.db2.gz JMDKYKNUNHZMEY-JTQLQIEISA-N 1 1 302.334 2.686 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000603404432 543472339 /nfs/dbraw/zinc/47/23/39/543472339.db2.gz ZDMNVHLBFDRNQN-AWEZNQCLSA-N 1 1 319.405 2.593 20 5 DFBDMO CC1(C)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000357813025 148134336 /nfs/dbraw/zinc/13/43/36/148134336.db2.gz SHKAOELCCLCTJP-OAHLLOKOSA-N 1 1 322.405 2.847 20 5 DFBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000619783085 543481273 /nfs/dbraw/zinc/48/12/73/543481273.db2.gz OHTZCOUCSSFVFX-SECBINFHSA-N 1 1 305.359 2.606 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000358300243 148320254 /nfs/dbraw/zinc/32/02/54/148320254.db2.gz HXFRXKKNJZLAGD-CYBMUJFWSA-N 1 1 307.394 2.753 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCc4[nH+]ccn43)n2)cc1 ZINC000350394501 286034095 /nfs/dbraw/zinc/03/40/95/286034095.db2.gz GCWUYKSYMRNIPB-LBPRGKRZSA-N 1 1 311.301 2.767 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361050193 149017720 /nfs/dbraw/zinc/01/77/20/149017720.db2.gz ICULIXGLFYYBDA-MASHWEEQSA-N 1 1 312.316 2.558 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361050193 149017722 /nfs/dbraw/zinc/01/77/22/149017722.db2.gz ICULIXGLFYYBDA-MASHWEEQSA-N 1 1 312.316 2.558 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000361377109 149099371 /nfs/dbraw/zinc/09/93/71/149099371.db2.gz IIYTYCLWRKJABC-GDBMZVCRSA-N 1 1 317.389 2.684 20 5 DFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000361467849 149122848 /nfs/dbraw/zinc/12/28/48/149122848.db2.gz DQDPQPFOHZQKQM-INIZCTEOSA-N 1 1 313.357 2.643 20 5 DFBDMO C[C@H](CO)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361502234 149132915 /nfs/dbraw/zinc/13/29/15/149132915.db2.gz VQEOFHYWJHANTF-CQSZACIVSA-N 1 1 322.405 2.847 20 5 DFBDMO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000361587983 149159767 /nfs/dbraw/zinc/15/97/67/149159767.db2.gz CYCHGRSPKKNFBE-OAHLLOKOSA-N 1 1 317.345 2.861 20 5 DFBDMO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000361587983 149159769 /nfs/dbraw/zinc/15/97/69/149159769.db2.gz CYCHGRSPKKNFBE-OAHLLOKOSA-N 1 1 317.345 2.861 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1CO ZINC000361654923 149181541 /nfs/dbraw/zinc/18/15/41/149181541.db2.gz MYGKGTDOLVZRSU-CHWSQXEVSA-N 1 1 316.357 2.915 20 5 DFBDMO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000361659408 149183759 /nfs/dbraw/zinc/18/37/59/149183759.db2.gz ZUZFDSYOBOFDHZ-NEPJUHHUSA-N 1 1 323.418 2.745 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000361659408 149183760 /nfs/dbraw/zinc/18/37/60/149183760.db2.gz ZUZFDSYOBOFDHZ-NEPJUHHUSA-N 1 1 323.418 2.745 20 5 DFBDMO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000361777334 149216730 /nfs/dbraw/zinc/21/67/30/149216730.db2.gz SHUDYEAKTCURGH-NSHDSACASA-N 1 1 323.780 2.557 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351220311 286116661 /nfs/dbraw/zinc/11/66/61/286116661.db2.gz WJSAGTWUZNEUMU-SNVBAGLBSA-N 1 1 312.345 2.584 20 5 DFBDMO COc1cc(NC[C@H]2CCCn3cc[nH+]c32)c(F)cc1[N+](=O)[O-] ZINC000351479943 286131134 /nfs/dbraw/zinc/13/11/34/286131134.db2.gz OAXQKJWKXXLUKV-SNVBAGLBSA-N 1 1 320.324 2.929 20 5 DFBDMO COc1cc(NC[C@H]2CCCn3cc[nH+]c32)c([N+](=O)[O-])cc1F ZINC000372191610 150147247 /nfs/dbraw/zinc/14/72/47/150147247.db2.gz IELQORVEWUGABK-SNVBAGLBSA-N 1 1 320.324 2.929 20 5 DFBDMO O=C(CC[N@H+]1CC[C@@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000372862376 150194255 /nfs/dbraw/zinc/19/42/55/150194255.db2.gz ZWKDRXTVIODPAA-CYBMUJFWSA-N 1 1 303.362 2.655 20 5 DFBDMO O=C(CC[N@H+]1CC2CCC1CC2)Nc1ccccc1[N+](=O)[O-] ZINC000374293319 150338014 /nfs/dbraw/zinc/33/80/14/150338014.db2.gz IHGKMAOTYKBLRO-UHFFFAOYSA-N 1 1 303.362 2.798 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000374351551 150349980 /nfs/dbraw/zinc/34/99/80/150349980.db2.gz MUPCGPZVVFHKPX-VIFPVBQESA-N 1 1 308.288 2.600 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCCn3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000374417596 150363579 /nfs/dbraw/zinc/36/35/79/150363579.db2.gz COXCBYOWUOVLMR-SNVBAGLBSA-N 1 1 317.305 2.689 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374524425 150372801 /nfs/dbraw/zinc/37/28/01/150372801.db2.gz WCJBGGMXYSJTSW-CYBMUJFWSA-N 1 1 318.352 2.847 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375029358 150388053 /nfs/dbraw/zinc/38/80/53/150388053.db2.gz HFIVIPHJLRFXLW-BBRMVZONSA-N 1 1 319.405 2.520 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccn1)C1CCCC1 ZINC000378464541 150814315 /nfs/dbraw/zinc/81/43/15/150814315.db2.gz UOXMVNBBQATYAA-HNNXBMFYSA-N 1 1 315.377 2.744 20 5 DFBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@H]1O ZINC000351818301 286225401 /nfs/dbraw/zinc/22/54/01/286225401.db2.gz GIRDYDZMEINQNC-ZIAGYGMSSA-N 1 1 300.305 2.608 20 5 DFBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@H]1O ZINC000351818301 286225403 /nfs/dbraw/zinc/22/54/03/286225403.db2.gz GIRDYDZMEINQNC-ZIAGYGMSSA-N 1 1 300.305 2.608 20 5 DFBDMO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351973804 286258168 /nfs/dbraw/zinc/25/81/68/286258168.db2.gz DQVVKZZPUVWUSS-GDBMZVCRSA-N 1 1 320.389 2.993 20 5 DFBDMO COc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351973804 286258169 /nfs/dbraw/zinc/25/81/69/286258169.db2.gz DQVVKZZPUVWUSS-GDBMZVCRSA-N 1 1 320.389 2.993 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000352188517 286314938 /nfs/dbraw/zinc/31/49/38/286314938.db2.gz ZRLTZEFCXINXLA-OAHLLOKOSA-N 1 1 308.378 2.993 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000352188517 286314939 /nfs/dbraw/zinc/31/49/39/286314939.db2.gz ZRLTZEFCXINXLA-OAHLLOKOSA-N 1 1 308.378 2.993 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000352399942 286363876 /nfs/dbraw/zinc/36/38/76/286363876.db2.gz OYZAQSNKHRWPHA-AWEZNQCLSA-N 1 1 316.361 2.674 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000352399942 286363878 /nfs/dbraw/zinc/36/38/78/286363878.db2.gz OYZAQSNKHRWPHA-AWEZNQCLSA-N 1 1 316.361 2.674 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285347087 292295845 /nfs/dbraw/zinc/29/58/45/292295845.db2.gz PGJDEBIAYUWZFL-YOEHRIQHSA-N 1 1 320.389 2.846 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285347087 292295846 /nfs/dbraw/zinc/29/58/46/292295846.db2.gz PGJDEBIAYUWZFL-YOEHRIQHSA-N 1 1 320.389 2.846 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+]CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353388855 286632198 /nfs/dbraw/zinc/63/21/98/286632198.db2.gz SAKSTBQBXPPSTL-HNNXBMFYSA-N 1 1 300.362 2.807 20 5 DFBDMO COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182846987 158008580 /nfs/dbraw/zinc/00/85/80/158008580.db2.gz WEEVFMMIGDYVDV-BLLLJJGKSA-N 1 1 306.362 2.849 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000183372194 158017865 /nfs/dbraw/zinc/01/78/65/158017865.db2.gz CQQALSIQSHTGBV-QGZVFWFLSA-N 1 1 313.357 2.952 20 5 DFBDMO Cc1cc(C)cc([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000183481938 158020050 /nfs/dbraw/zinc/02/00/50/158020050.db2.gz CTEJOJNYDDOZIW-HNNXBMFYSA-N 1 1 314.389 2.898 20 5 DFBDMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000184475637 158031852 /nfs/dbraw/zinc/03/18/52/158031852.db2.gz MULJCIQCYBPFMQ-CYBMUJFWSA-N 1 1 320.393 2.817 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000245812183 158080472 /nfs/dbraw/zinc/08/04/72/158080472.db2.gz ZPODDAIPWGCOSY-YQNAPEKISA-N 1 1 301.390 2.777 20 5 DFBDMO Cc1sc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247545902 158143432 /nfs/dbraw/zinc/14/34/32/158143432.db2.gz YINCVIBFTMDCCW-GXSJLCMTSA-N 1 1 311.407 2.519 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000248012280 158157382 /nfs/dbraw/zinc/15/73/82/158157382.db2.gz LJQCJGAHHNUTMV-IUODEOHRSA-N 1 1 307.369 2.650 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000248611625 158190111 /nfs/dbraw/zinc/19/01/11/158190111.db2.gz GPJXPUYIOXQPCS-NHYWBVRUSA-N 1 1 324.352 2.743 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000248611625 158190113 /nfs/dbraw/zinc/19/01/13/158190113.db2.gz GPJXPUYIOXQPCS-NHYWBVRUSA-N 1 1 324.352 2.743 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)C1CCC1 ZINC000357045020 158355766 /nfs/dbraw/zinc/35/57/66/158355766.db2.gz TXCUYQPDNNFEJC-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)C1CCC1 ZINC000357047426 158357110 /nfs/dbraw/zinc/35/71/10/158357110.db2.gz WAAQIUPXTXCRBA-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000430951011 296814471 /nfs/dbraw/zinc/81/44/71/296814471.db2.gz JSLPHLWVJZGZJL-ZDUSSCGKSA-N 1 1 321.421 2.941 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132607864 196269942 /nfs/dbraw/zinc/26/99/42/196269942.db2.gz AQWCDMCYGVBSDI-GFCCVEGCSA-N 1 1 323.368 2.728 20 5 DFBDMO O=C(CCn1c[nH+]c2c1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000295781003 225229386 /nfs/dbraw/zinc/22/93/86/225229386.db2.gz AAGQNYZQQPVDCG-UHFFFAOYSA-N 1 1 314.345 2.699 20 5 DFBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000290902086 222006448 /nfs/dbraw/zinc/00/64/48/222006448.db2.gz HNOHCXGNBUPKNC-LLVKDONJSA-N 1 1 318.377 2.535 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](C)OC ZINC000291348849 222331450 /nfs/dbraw/zinc/33/14/50/222331450.db2.gz XRLYWCGNCCOPFF-CYBMUJFWSA-N 1 1 323.393 2.589 20 5 DFBDMO Cc1nn(C)c(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000302065203 230074889 /nfs/dbraw/zinc/07/48/89/230074889.db2.gz VSJJAUAEAGJTFI-YPMHNXCESA-N 1 1 321.425 2.702 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000124494141 425921976 /nfs/dbraw/zinc/92/19/76/425921976.db2.gz LTQFFZAHOJROBY-CQSZACIVSA-N 1 1 319.405 2.898 20 5 DFBDMO CC[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1cccc([N+](=O)[O-])c1 ZINC000187711864 267871996 /nfs/dbraw/zinc/87/19/96/267871996.db2.gz MPELERQRVMESPG-AWEZNQCLSA-N 1 1 303.318 2.528 20 5 DFBDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000026476521 425812244 /nfs/dbraw/zinc/81/22/44/425812244.db2.gz FPUVFLYGZCSOJR-RISCZKNCSA-N 1 1 305.378 2.704 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1ncc([N+](=O)[O-])cc1C ZINC000192236104 268027447 /nfs/dbraw/zinc/02/74/47/268027447.db2.gz MHQGVFCHWBHSRS-UHFFFAOYSA-N 1 1 317.393 2.974 20 5 DFBDMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194319543 268098718 /nfs/dbraw/zinc/09/87/18/268098718.db2.gz JDFKYGVOQMPKJE-GFCCVEGCSA-N 1 1 306.366 2.509 20 5 DFBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269699649 268190201 /nfs/dbraw/zinc/19/02/01/268190201.db2.gz LITYNNBCJVIDNP-QGZVFWFLSA-N 1 1 316.357 2.769 20 5 DFBDMO CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125631122 425982250 /nfs/dbraw/zinc/98/22/50/425982250.db2.gz YKIRANMWZPSIGZ-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000125707499 425986972 /nfs/dbraw/zinc/98/69/72/425986972.db2.gz PXGVGWGUVILAPH-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO CCCC[N@H+](CCOC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000109333995 426030982 /nfs/dbraw/zinc/03/09/82/426030982.db2.gz OAXPCMOSOJGYSB-UHFFFAOYSA-N 1 1 323.393 2.590 20 5 DFBDMO CCCC[N@@H+](CCOC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000109333995 426030983 /nfs/dbraw/zinc/03/09/83/426030983.db2.gz OAXPCMOSOJGYSB-UHFFFAOYSA-N 1 1 323.393 2.590 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000162669254 426071701 /nfs/dbraw/zinc/07/17/01/426071701.db2.gz SHMHMWYVNQSVIO-SWLSCSKDSA-N 1 1 320.393 2.753 20 5 DFBDMO CCOCC[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000110560676 426034013 /nfs/dbraw/zinc/03/40/13/426034013.db2.gz LGAACWOLKJSTKR-AWEZNQCLSA-N 1 1 307.394 2.532 20 5 DFBDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162458828 426064811 /nfs/dbraw/zinc/06/48/11/426064811.db2.gz ZGUKSJGCEXGPSS-SECBINFHSA-N 1 1 317.183 2.560 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000072897652 426020952 /nfs/dbraw/zinc/02/09/52/426020952.db2.gz GLLAFBICCXBBHW-OLZOCXBDSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)C1 ZINC000127812662 426087380 /nfs/dbraw/zinc/08/73/80/426087380.db2.gz GFOKWCXFRSTXPX-NWDGAFQWSA-N 1 1 305.378 2.562 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000112701702 426088391 /nfs/dbraw/zinc/08/83/91/426088391.db2.gz RCUFXOVPEXISFI-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000112701702 426088395 /nfs/dbraw/zinc/08/83/95/426088395.db2.gz RCUFXOVPEXISFI-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000076481690 426113867 /nfs/dbraw/zinc/11/38/67/426113867.db2.gz JPZYEHMXUFGRMM-HIFRSBDPSA-N 1 1 319.405 2.706 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114483457 426136875 /nfs/dbraw/zinc/13/68/75/426136875.db2.gz LMWHZFDVETWZOQ-MRXNPFEDSA-N 1 1 316.361 2.924 20 5 DFBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128878744 426136967 /nfs/dbraw/zinc/13/69/67/426136967.db2.gz JMMABCJGFMZWKK-LLVKDONJSA-N 1 1 309.341 2.794 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075538642 426077528 /nfs/dbraw/zinc/07/75/28/426077528.db2.gz NAIIPTIYPGQTMV-ZDUSSCGKSA-N 1 1 320.393 2.790 20 5 DFBDMO CSC[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000135432015 426217667 /nfs/dbraw/zinc/21/76/67/426217667.db2.gz WLNAWBYSPWDAEQ-CYBMUJFWSA-N 1 1 324.402 2.789 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095574 426220194 /nfs/dbraw/zinc/22/01/94/426220194.db2.gz QXFMOXSHNXMBGY-RHSMWYFYSA-N 1 1 321.421 2.636 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095574 426220196 /nfs/dbraw/zinc/22/01/96/426220196.db2.gz QXFMOXSHNXMBGY-RHSMWYFYSA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@@H+]1CC[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095574 426220199 /nfs/dbraw/zinc/22/01/99/426220199.db2.gz QXFMOXSHNXMBGY-RHSMWYFYSA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000081095574 426220201 /nfs/dbraw/zinc/22/02/01/426220201.db2.gz QXFMOXSHNXMBGY-RHSMWYFYSA-N 1 1 321.421 2.636 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173738687 426247372 /nfs/dbraw/zinc/24/73/72/426247372.db2.gz KBJARGPDLVXHRI-CQSZACIVSA-N 1 1 319.405 2.898 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171812430 426213812 /nfs/dbraw/zinc/21/38/12/426213812.db2.gz LWDZONOOYAOVPR-CQSZACIVSA-N 1 1 306.366 2.591 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000175216463 426289029 /nfs/dbraw/zinc/28/90/29/426289029.db2.gz VJDYFOCHTIIFMC-CYBMUJFWSA-N 1 1 308.378 2.852 20 5 DFBDMO COc1ccc(C[N@@H+]2CC[C@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000119574135 426299028 /nfs/dbraw/zinc/29/90/28/426299028.db2.gz TXOXRHIGCHIKRM-AWEZNQCLSA-N 1 1 308.378 2.850 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000119574135 426299030 /nfs/dbraw/zinc/29/90/30/426299030.db2.gz TXOXRHIGCHIKRM-AWEZNQCLSA-N 1 1 308.378 2.850 20 5 DFBDMO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCOC1 ZINC000089908332 426318610 /nfs/dbraw/zinc/31/86/10/426318610.db2.gz XRQDVXRYQIJCMS-LBPRGKRZSA-N 1 1 317.345 2.718 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCC)CC1 ZINC000175118501 426280495 /nfs/dbraw/zinc/28/04/95/426280495.db2.gz JFMZBJFKXHKTIG-UHFFFAOYSA-N 1 1 308.378 2.994 20 5 DFBDMO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000153654794 426397658 /nfs/dbraw/zinc/39/76/58/426397658.db2.gz MBBXAHKKFVPURB-TZMCWYRMSA-N 1 1 320.393 2.850 20 5 DFBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2s1 ZINC000176197400 426360156 /nfs/dbraw/zinc/36/01/56/426360156.db2.gz GPPAWRMMUKBCGZ-UHFFFAOYSA-N 1 1 317.374 2.533 20 5 DFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2s1 ZINC000176197400 426360158 /nfs/dbraw/zinc/36/01/58/426360158.db2.gz GPPAWRMMUKBCGZ-UHFFFAOYSA-N 1 1 317.374 2.533 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000176215983 426360510 /nfs/dbraw/zinc/36/05/10/426360510.db2.gz BVRQOMQVKROWQG-MRXNPFEDSA-N 1 1 312.373 2.943 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000094125350 426361607 /nfs/dbraw/zinc/36/16/07/426361607.db2.gz XEQCIXBJTSHUET-CQSZACIVSA-N 1 1 319.405 2.592 20 5 DFBDMO Cc1cc[nH+]c(N2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)c1 ZINC000153004159 426365999 /nfs/dbraw/zinc/36/59/99/426365999.db2.gz GJHQXGWRDLAJMV-UHFFFAOYSA-N 1 1 312.373 2.933 20 5 DFBDMO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123415310 426431861 /nfs/dbraw/zinc/43/18/61/426431861.db2.gz QWOVLWLLEPVBGF-MVQLRYDASA-N 1 1 317.389 2.549 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000341065810 269037940 /nfs/dbraw/zinc/03/79/40/269037940.db2.gz VCBIPGSDEDDIQN-OKILXGFUSA-N 1 1 319.405 2.516 20 5 DFBDMO C[C@H]([N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(C)CC1 ZINC000177229929 426456768 /nfs/dbraw/zinc/45/67/68/426456768.db2.gz PCGHVDKCOOPHOG-LBPRGKRZSA-N 1 1 317.389 2.604 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])ccc1OC ZINC000177350726 426470739 /nfs/dbraw/zinc/47/07/39/426470739.db2.gz ZDQGZRWLFXUSAW-ZBFHGGJFSA-N 1 1 319.405 2.662 20 5 DFBDMO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000101563570 426484592 /nfs/dbraw/zinc/48/45/92/426484592.db2.gz GSVNXACVVWPHBD-HNNXBMFYSA-N 1 1 319.405 2.784 20 5 DFBDMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000101563570 426484593 /nfs/dbraw/zinc/48/45/93/426484593.db2.gz GSVNXACVVWPHBD-HNNXBMFYSA-N 1 1 319.405 2.784 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@@H](NC(=O)C(C)C)C2)cccc1[N+](=O)[O-] ZINC000101551795 426484729 /nfs/dbraw/zinc/48/47/29/426484729.db2.gz ZMEVEQANUGEWTE-OAHLLOKOSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1c(C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)cccc1[N+](=O)[O-] ZINC000101551795 426484730 /nfs/dbraw/zinc/48/47/30/426484730.db2.gz ZMEVEQANUGEWTE-OAHLLOKOSA-N 1 1 319.405 2.640 20 5 DFBDMO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000264436648 426554370 /nfs/dbraw/zinc/55/43/70/426554370.db2.gz YLAOFPXGEAODDE-AWEZNQCLSA-N 1 1 319.405 2.722 20 5 DFBDMO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000264436648 426554374 /nfs/dbraw/zinc/55/43/74/426554374.db2.gz YLAOFPXGEAODDE-AWEZNQCLSA-N 1 1 319.405 2.722 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177760572 426516362 /nfs/dbraw/zinc/51/63/62/426516362.db2.gz VNRAAMMKLXKHFW-MRXNPFEDSA-N 1 1 319.405 2.664 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1CO ZINC000264214344 426519612 /nfs/dbraw/zinc/51/96/12/426519612.db2.gz UCEPKBMUBBYUDC-OAHLLOKOSA-N 1 1 308.378 2.729 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CO ZINC000264214344 426519614 /nfs/dbraw/zinc/51/96/14/426519614.db2.gz UCEPKBMUBBYUDC-OAHLLOKOSA-N 1 1 308.378 2.729 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000177788082 426520523 /nfs/dbraw/zinc/52/05/23/426520523.db2.gz VHRDAQLVZRHUOK-HIFRSBDPSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177846398 426529074 /nfs/dbraw/zinc/52/90/74/426529074.db2.gz BQNUQGVNPGUMLY-CYBMUJFWSA-N 1 1 319.405 2.852 20 5 DFBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000264300706 426532954 /nfs/dbraw/zinc/53/29/54/426532954.db2.gz VNGJCOYKBMHQHD-GFCCVEGCSA-N 1 1 324.377 2.623 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177881988 426534877 /nfs/dbraw/zinc/53/48/77/426534877.db2.gz KMDTYDAIZOBTDC-TUAOUCFPSA-N 1 1 321.377 2.661 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](C)(OC)CC1 ZINC000280482580 426582775 /nfs/dbraw/zinc/58/27/75/426582775.db2.gz LNNOUHBKRHFNAV-INIZCTEOSA-N 1 1 308.378 2.994 20 5 DFBDMO CC1=CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000280931003 426687398 /nfs/dbraw/zinc/68/73/98/426687398.db2.gz VFOMBXHJPVKESA-UHFFFAOYSA-N 1 1 300.318 2.797 20 5 DFBDMO CC1=CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000280931003 426687401 /nfs/dbraw/zinc/68/74/01/426687401.db2.gz VFOMBXHJPVKESA-UHFFFAOYSA-N 1 1 300.318 2.797 20 5 DFBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cnn(C)c1 ZINC000178728227 426684067 /nfs/dbraw/zinc/68/40/67/426684067.db2.gz RKMQOUVUZONZKO-AWEZNQCLSA-N 1 1 304.350 2.578 20 5 DFBDMO CCC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000280646597 426625016 /nfs/dbraw/zinc/62/50/16/426625016.db2.gz DZJLCEBFJMQSKY-TZMCWYRMSA-N 1 1 319.405 2.964 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273600386 426693266 /nfs/dbraw/zinc/69/32/66/426693266.db2.gz JHRCEOBWORYZBH-BETUJISGSA-N 1 1 307.398 2.555 20 5 DFBDMO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000274433864 426767215 /nfs/dbraw/zinc/76/72/15/426767215.db2.gz GJCQKYCBOMJLDC-CQSZACIVSA-N 1 1 305.378 2.506 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000274430538 426767946 /nfs/dbraw/zinc/76/79/46/426767946.db2.gz DVMFKTRAYSFWOF-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000245940617 426785412 /nfs/dbraw/zinc/78/54/12/426785412.db2.gz QWDUNKJEOMBGCC-NWDGAFQWSA-N 1 1 306.362 2.939 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000245987962 426788677 /nfs/dbraw/zinc/78/86/77/426788677.db2.gz HNWIMRFCJKBWME-ZBFHGGJFSA-N 1 1 319.405 2.532 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000267185403 426838681 /nfs/dbraw/zinc/83/86/81/426838681.db2.gz CIUORKBXZZINBW-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000290834533 426850201 /nfs/dbraw/zinc/85/02/01/426850201.db2.gz VACCIMQQEVSMAA-DGCLKSJQSA-N 1 1 305.378 2.778 20 5 DFBDMO COc1cc(NCCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000282220664 426855443 /nfs/dbraw/zinc/85/54/43/426855443.db2.gz KFNGDOBKQXVRNY-UHFFFAOYSA-N 1 1 320.349 2.619 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246859701 426872559 /nfs/dbraw/zinc/87/25/59/426872559.db2.gz SIZNCXGRBSWQQG-BYQDXSGLSA-N 1 1 320.414 2.814 20 5 DFBDMO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282381686 426895148 /nfs/dbraw/zinc/89/51/48/426895148.db2.gz GAOGMTKKEPRBTO-ZDUSSCGKSA-N 1 1 319.405 2.516 20 5 DFBDMO CCc1noc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282394171 426902003 /nfs/dbraw/zinc/90/20/03/426902003.db2.gz HBGZDIPDXHZZOW-LLVKDONJSA-N 1 1 304.350 2.776 20 5 DFBDMO CCc1noc([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282394171 426902008 /nfs/dbraw/zinc/90/20/08/426902008.db2.gz HBGZDIPDXHZZOW-LLVKDONJSA-N 1 1 304.350 2.776 20 5 DFBDMO CC[C@]1(CO)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189652670 426914472 /nfs/dbraw/zinc/91/44/72/426914472.db2.gz MYNXUXLNCYCUCJ-MRXNPFEDSA-N 1 1 308.378 2.601 20 5 DFBDMO COc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000268206719 426949642 /nfs/dbraw/zinc/94/96/42/426949642.db2.gz HGRSLYAQZOOUNZ-CYBMUJFWSA-N 1 1 307.394 2.993 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000247541295 426950042 /nfs/dbraw/zinc/95/00/42/426950042.db2.gz YALOGASTWJCOLL-XHDPSFHLSA-N 1 1 323.368 2.536 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291800855 426993938 /nfs/dbraw/zinc/99/39/38/426993938.db2.gz NCTRNIPARBWZDJ-MNOVXSKESA-N 1 1 300.305 2.605 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291800855 426993945 /nfs/dbraw/zinc/99/39/45/426993945.db2.gz NCTRNIPARBWZDJ-MNOVXSKESA-N 1 1 300.305 2.605 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248061327 426976904 /nfs/dbraw/zinc/97/69/04/426976904.db2.gz YOIQWVGMRLTYSA-DOTOQJQBSA-N 1 1 304.390 2.764 20 5 DFBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373567 426992622 /nfs/dbraw/zinc/99/26/22/426992622.db2.gz JUGNIDLZGYHCNZ-KFWWJZLASA-N 1 1 322.405 2.845 20 5 DFBDMO CC(=O)c1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268158120 426929841 /nfs/dbraw/zinc/92/98/41/426929841.db2.gz OACANTCUCLXCIC-BMIGLBTASA-N 1 1 303.362 2.692 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181914802 426993408 /nfs/dbraw/zinc/99/34/08/426993408.db2.gz XKFHCYMATWMHBJ-KFWWJZLASA-N 1 1 320.389 2.599 20 5 DFBDMO Cc1cncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000189758089 426942068 /nfs/dbraw/zinc/94/20/68/426942068.db2.gz RAGJPYUCQINWQI-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248469870 427003918 /nfs/dbraw/zinc/00/39/18/427003918.db2.gz UUMRRSJAMKVJHX-RBSFLKMASA-N 1 1 322.405 2.845 20 5 DFBDMO CC[C@H]1CCCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248474808 427005808 /nfs/dbraw/zinc/00/58/08/427005808.db2.gz XKCUPFJRUCXHOM-LSDHHAIUSA-N 1 1 322.405 2.989 20 5 DFBDMO COCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182078033 427012368 /nfs/dbraw/zinc/01/23/68/427012368.db2.gz REFZNRRLXXMYAB-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO COCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182078033 427012380 /nfs/dbraw/zinc/01/23/80/427012380.db2.gz REFZNRRLXXMYAB-UHFFFAOYSA-N 1 1 316.785 2.733 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c(Cl)c1 ZINC000182177143 427022141 /nfs/dbraw/zinc/02/21/41/427022141.db2.gz KUYQLROMTGPWBV-ODOQXGPZSA-N 1 1 310.781 2.841 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268464984 427025969 /nfs/dbraw/zinc/02/59/69/427025969.db2.gz LKBCNOMWZOOQDD-YPMHNXCESA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000268464984 427025974 /nfs/dbraw/zinc/02/59/74/427025974.db2.gz LKBCNOMWZOOQDD-YPMHNXCESA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000268464984 427025980 /nfs/dbraw/zinc/02/59/80/427025980.db2.gz LKBCNOMWZOOQDD-YPMHNXCESA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268464984 427025985 /nfs/dbraw/zinc/02/59/85/427025985.db2.gz LKBCNOMWZOOQDD-YPMHNXCESA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268464984 427025990 /nfs/dbraw/zinc/02/59/90/427025990.db2.gz LKBCNOMWZOOQDD-YPMHNXCESA-N 1 1 315.377 2.962 20 5 DFBDMO CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268518408 427041809 /nfs/dbraw/zinc/04/18/09/427041809.db2.gz ZIYGZOSPDCWUIU-INIZCTEOSA-N 1 1 312.373 2.701 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000190302530 427065893 /nfs/dbraw/zinc/06/58/93/427065893.db2.gz UMTXPHWNBWWTBS-JTQLQIEISA-N 1 1 308.363 2.893 20 5 DFBDMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130632 427086814 /nfs/dbraw/zinc/08/68/14/427086814.db2.gz JCIFTZJCZKVDHJ-ZANVPECISA-N 1 1 318.295 2.959 20 5 DFBDMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130632 427086816 /nfs/dbraw/zinc/08/68/16/427086816.db2.gz JCIFTZJCZKVDHJ-ZANVPECISA-N 1 1 318.295 2.959 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000338002584 427087917 /nfs/dbraw/zinc/08/79/17/427087917.db2.gz RSKDSCUAAFIBOW-UONOGXRCSA-N 1 1 319.405 2.896 20 5 DFBDMO C[C@H]1CCCN(C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000292116378 427093457 /nfs/dbraw/zinc/09/34/57/427093457.db2.gz JQEXJLNJCKKPSR-ZDUSSCGKSA-N 1 1 319.405 2.678 20 5 DFBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000292163718 427116077 /nfs/dbraw/zinc/11/60/77/427116077.db2.gz KZQLBMAXPLNIPY-AWEZNQCLSA-N 1 1 303.406 2.901 20 5 DFBDMO COc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000292198199 427127527 /nfs/dbraw/zinc/12/75/27/427127527.db2.gz GMBFDBRTYYYCPY-ZDUSSCGKSA-N 1 1 319.405 2.914 20 5 DFBDMO Cc1cc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000182764288 427140817 /nfs/dbraw/zinc/14/08/17/427140817.db2.gz ILJQFWZTPHGVBJ-ZDUSSCGKSA-N 1 1 320.393 2.709 20 5 DFBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](C2CC2)CC1 ZINC000284221122 427159556 /nfs/dbraw/zinc/15/95/56/427159556.db2.gz ZUDVDRXDGHQMEM-UHFFFAOYSA-N 1 1 324.768 2.560 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@H](C)C1 ZINC000171694162 271105854 /nfs/dbraw/zinc/10/58/54/271105854.db2.gz SLIIZRJFCUBSQQ-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2CCS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000171694238 271106222 /nfs/dbraw/zinc/10/62/22/271106222.db2.gz HCOGGWIJQBRVBB-NSHDSACASA-N 1 1 323.418 2.669 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000175040532 271144711 /nfs/dbraw/zinc/14/47/11/271144711.db2.gz SEWLYBLVTLDALS-GDBMZVCRSA-N 1 1 319.405 2.532 20 5 DFBDMO COCC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184214540 271196679 /nfs/dbraw/zinc/19/66/79/271196679.db2.gz MMJAFFVRURCMTO-UHFFFAOYSA-N 1 1 312.341 2.601 20 5 DFBDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000272441281 271317770 /nfs/dbraw/zinc/31/77/70/271317770.db2.gz BDPWUQQXXUDRJQ-HIFRSBDPSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000302185965 271362809 /nfs/dbraw/zinc/36/28/09/271362809.db2.gz UTRAODIJUMOPFZ-UKRRQHHQSA-N 1 1 312.373 2.922 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)C1 ZINC000292331825 427177776 /nfs/dbraw/zinc/17/77/76/427177776.db2.gz PKDVBCYPMISVLG-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1F ZINC000284336301 427184662 /nfs/dbraw/zinc/18/46/62/427184662.db2.gz XDPLFSSFVQNVEQ-SMDDNHRTSA-N 1 1 323.368 2.501 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000292843504 427201470 /nfs/dbraw/zinc/20/14/70/427201470.db2.gz XMQIUFWQMJEIOL-CYBMUJFWSA-N 1 1 307.394 2.753 20 5 DFBDMO COC(=O)c1coc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285378168 427213414 /nfs/dbraw/zinc/21/34/14/427213414.db2.gz RLJMNAWXLPNZJU-UHFFFAOYSA-N 1 1 318.329 2.649 20 5 DFBDMO C[C@@H]1C[N@@H+](CCCNc2cccc(F)c2[N+](=O)[O-])CCCO1 ZINC000277687283 427285846 /nfs/dbraw/zinc/28/58/46/427285846.db2.gz QQMVANQXADREOZ-GFCCVEGCSA-N 1 1 311.357 2.647 20 5 DFBDMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000293159912 427227498 /nfs/dbraw/zinc/22/74/98/427227498.db2.gz UUIZBEMLIOWCRQ-KGLIPLIRSA-N 1 1 317.389 2.704 20 5 DFBDMO Cc1c(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000293161901 427230662 /nfs/dbraw/zinc/23/06/62/427230662.db2.gz CKPKNTXXFDQICO-KRWDZBQOSA-N 1 1 314.385 2.939 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330671060 427286190 /nfs/dbraw/zinc/28/61/90/427286190.db2.gz MJYOJMIOWKQFMH-TZMCWYRMSA-N 1 1 307.394 2.566 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255180180 427245944 /nfs/dbraw/zinc/24/59/44/427245944.db2.gz TVPQRPKPTHDIPO-JQPIKURYSA-N 1 1 317.389 2.551 20 5 DFBDMO C[C@H]1C[N@@H+](CCCNc2cccc(F)c2[N+](=O)[O-])CCCO1 ZINC000277687288 427286627 /nfs/dbraw/zinc/28/66/27/427286627.db2.gz QQMVANQXADREOZ-LBPRGKRZSA-N 1 1 311.357 2.647 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330569365 427267349 /nfs/dbraw/zinc/26/73/49/427267349.db2.gz MBJYWJHFAJGNMX-CHWSQXEVSA-N 1 1 307.394 2.518 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn2ccsc2n1 ZINC000338363300 427279602 /nfs/dbraw/zinc/27/96/02/427279602.db2.gz SWBYNJFYXQVDFC-UHFFFAOYSA-N 1 1 316.386 2.979 20 5 DFBDMO COc1ccc(C[N@H+]2CCCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000293299390 427281052 /nfs/dbraw/zinc/28/10/52/427281052.db2.gz WJPWNPOTCIMGSB-MRXNPFEDSA-N 1 1 308.378 2.850 20 5 DFBDMO CC(C)[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000338427737 427316688 /nfs/dbraw/zinc/31/66/88/427316688.db2.gz XNPIOPYXEYGIDP-UHFFFAOYSA-N 1 1 314.773 2.710 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285750873 427326586 /nfs/dbraw/zinc/32/65/86/427326586.db2.gz YSLVFOLRPRKIJA-ZDUSSCGKSA-N 1 1 318.295 2.874 20 5 DFBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338449841 427330076 /nfs/dbraw/zinc/33/00/76/427330076.db2.gz KTAYEKCGQZTWRJ-INIZCTEOSA-N 1 1 319.405 2.979 20 5 DFBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000270358972 427333293 /nfs/dbraw/zinc/33/32/93/427333293.db2.gz JQONZHWVOKNECQ-UHFFFAOYSA-N 1 1 300.362 2.585 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000277833294 427335364 /nfs/dbraw/zinc/33/53/64/427335364.db2.gz ZMJZNQNOTLCRNV-CYBMUJFWSA-N 1 1 323.393 2.516 20 5 DFBDMO Cc1c([C@H](C)[NH2+]Cc2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000183785239 427338931 /nfs/dbraw/zinc/33/89/31/427338931.db2.gz YHDOTHMRQVNREX-LBPRGKRZSA-N 1 1 311.345 2.797 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183818548 427344704 /nfs/dbraw/zinc/34/47/04/427344704.db2.gz MYOCEUNHMRASEW-UHFFFAOYSA-N 1 1 312.373 2.702 20 5 DFBDMO Cc1cc(N2CCC[C@@H](C[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262119358 427351110 /nfs/dbraw/zinc/35/11/10/427351110.db2.gz KMQZXOKERGCQNN-LBPRGKRZSA-N 1 1 300.362 2.627 20 5 DFBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000330670187 427287879 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2.650 20 5 DFBDMO CCOc1cc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331195230 427368398 /nfs/dbraw/zinc/36/83/98/427368398.db2.gz XVWUMIAZKOBVAM-STQMWFEESA-N 1 1 307.394 2.518 20 5 DFBDMO CCOc1cc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331195229 427368480 /nfs/dbraw/zinc/36/84/80/427368480.db2.gz XVWUMIAZKOBVAM-QWHCGFSZSA-N 1 1 307.394 2.518 20 5 DFBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccc(N)cc1[N+](=O)[O-] ZINC000286272280 427476109 /nfs/dbraw/zinc/47/61/09/427476109.db2.gz FRQQDKXZFBYJPC-UHFFFAOYSA-N 1 1 318.377 2.728 20 5 DFBDMO CCn1cc(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000286090954 427420506 /nfs/dbraw/zinc/42/05/06/427420506.db2.gz KQHWITOJNSIHSF-UHFFFAOYSA-N 1 1 302.378 2.528 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(NCCNc2cccc(C)[nH+]2)c1 ZINC000338669757 427431096 /nfs/dbraw/zinc/43/10/96/427431096.db2.gz QGRRXOTZKKTTKR-UHFFFAOYSA-N 1 1 302.334 2.831 20 5 DFBDMO CC(C)c1cccc2c1CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000191891408 427442426 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BBAFNKVNOIJSGE-CYBMUJFWSA-N 1 1 302.334 2.584 20 5 DFBDMO Cc1noc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000332074823 427503441 /nfs/dbraw/zinc/50/34/41/427503441.db2.gz FGGPTIOIJJUECX-LLVKDONJSA-N 1 1 322.752 2.929 20 5 DFBDMO Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000332074823 427503444 /nfs/dbraw/zinc/50/34/44/427503444.db2.gz FGGPTIOIJJUECX-LLVKDONJSA-N 1 1 322.752 2.929 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC000192236205 427508366 /nfs/dbraw/zinc/50/83/66/427508366.db2.gz KRPRLSZGHFFYDC-UHFFFAOYSA-N 1 1 317.393 2.974 20 5 DFBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1F ZINC000278954956 427514654 /nfs/dbraw/zinc/51/46/54/427514654.db2.gz VZUIUGPXOXDADM-NWDGAFQWSA-N 1 1 323.368 2.597 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC12CCC2 ZINC000271383862 427519705 /nfs/dbraw/zinc/51/97/05/427519705.db2.gz UFYNPKMCCDZLAQ-GFCCVEGCSA-N 1 1 317.389 2.706 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3cnccn23)c(Cl)c1 ZINC000341554466 271844983 /nfs/dbraw/zinc/84/49/83/271844983.db2.gz OVCCFTLYAPPVAO-UHFFFAOYSA-N 1 1 317.736 2.581 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286506959 427536624 /nfs/dbraw/zinc/53/66/24/427536624.db2.gz ROAOTEDUWYCKKV-MNOVXSKESA-N 1 1 311.332 2.542 20 5 DFBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000192513638 427553056 /nfs/dbraw/zinc/55/30/56/427553056.db2.gz GRLQAWZVRYABQD-YPMHNXCESA-N 1 1 304.375 2.909 20 5 DFBDMO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338999039 427616613 /nfs/dbraw/zinc/61/66/13/427616613.db2.gz ATPODNZTFIUOMP-UHFFFAOYSA-N 1 1 324.377 2.854 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](CCO)C2)c1 ZINC000339005778 427617777 /nfs/dbraw/zinc/61/77/77/427617777.db2.gz YBWIZJRPOFRNKV-SNVBAGLBSA-N 1 1 318.295 2.818 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](CCO)C2)c1 ZINC000339005778 427617783 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SZDFKSWVQXHJAC-FRRDWIJNSA-N 1 1 317.389 2.745 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000264009845 427631751 /nfs/dbraw/zinc/63/17/51/427631751.db2.gz ILRVSFLVNNVHRT-QGZVFWFLSA-N 1 1 316.357 2.639 20 5 DFBDMO COCCC[N@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192901384 427633024 /nfs/dbraw/zinc/63/30/24/427633024.db2.gz HXQQIHBQRXRSBE-QGZVFWFLSA-N 1 1 321.421 2.530 20 5 DFBDMO COCCC[N@@H+](C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192901384 427633027 /nfs/dbraw/zinc/63/30/27/427633027.db2.gz HXQQIHBQRXRSBE-QGZVFWFLSA-N 1 1 321.421 2.530 20 5 DFBDMO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000339063042 427657306 /nfs/dbraw/zinc/65/73/06/427657306.db2.gz QKNUNCCHMAZMJM-NOZJJQNGSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000339063042 427657312 /nfs/dbraw/zinc/65/73/12/427657312.db2.gz QKNUNCCHMAZMJM-NOZJJQNGSA-N 1 1 318.295 2.816 20 5 DFBDMO CCC[N@@H+](CC(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342712454 272043888 /nfs/dbraw/zinc/04/38/88/272043888.db2.gz SDILHEPRYRITRE-AWEZNQCLSA-N 1 1 310.394 2.703 20 5 DFBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000343080015 272082889 /nfs/dbraw/zinc/08/28/89/272082889.db2.gz UEDJAYXYNUTRDU-ZIAGYGMSSA-N 1 1 319.405 2.516 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000343907496 272235013 /nfs/dbraw/zinc/23/50/13/272235013.db2.gz AGSPTVXTRJWFRY-GDBMZVCRSA-N 1 1 319.405 2.532 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000343910371 272235308 /nfs/dbraw/zinc/23/53/08/272235308.db2.gz KSJREMLMOYCNIB-JTQLQIEISA-N 1 1 321.406 2.886 20 5 DFBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185619102 427680469 /nfs/dbraw/zinc/68/04/69/427680469.db2.gz AKTZNIRZTRNZQB-WFASDCNBSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000343931932 272240124 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305.378 2.962 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298739304 427691519 /nfs/dbraw/zinc/69/15/19/427691519.db2.gz NUWZPMJFEYDLDJ-KGLIPLIRSA-N 1 1 318.377 2.652 20 5 DFBDMO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339134426 427696388 /nfs/dbraw/zinc/69/63/88/427696388.db2.gz RXHDDWNILCLQSD-UWVGGRQHSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339134426 427696394 /nfs/dbraw/zinc/69/63/94/427696394.db2.gz RXHDDWNILCLQSD-UWVGGRQHSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295109639 427698268 /nfs/dbraw/zinc/69/82/68/427698268.db2.gz KXQCLZYCZGLHOE-PWSUYJOCSA-N 1 1 323.780 2.557 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298807629 427709601 /nfs/dbraw/zinc/70/96/01/427709601.db2.gz NNXSADNQETVAFB-ZDUSSCGKSA-N 1 1 317.345 2.555 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193863744 427720220 /nfs/dbraw/zinc/72/02/20/427720220.db2.gz KNSOGYNAPMHUQC-CQSZACIVSA-N 1 1 300.362 2.740 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000193863744 427720227 /nfs/dbraw/zinc/72/02/27/427720227.db2.gz KNSOGYNAPMHUQC-CQSZACIVSA-N 1 1 300.362 2.740 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301119757 427776932 /nfs/dbraw/zinc/77/69/32/427776932.db2.gz NELJSCPGVYTTOI-LBPRGKRZSA-N 1 1 300.362 2.897 20 5 DFBDMO CC(C)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301277058 427785873 /nfs/dbraw/zinc/78/58/73/427785873.db2.gz MLLMTHUILRRQLE-UHFFFAOYSA-N 1 1 312.801 2.811 20 5 DFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301284638 427786994 /nfs/dbraw/zinc/78/69/94/427786994.db2.gz LJPXOUDMNFOGAG-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO Cc1c(C[N@@H+]2CCCNC(=O)[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000339273910 427747735 /nfs/dbraw/zinc/74/77/35/427747735.db2.gz GNZWDICEFSUNOQ-MRXNPFEDSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1c(C[N@H+]2CCCNC(=O)[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000339273910 427747737 /nfs/dbraw/zinc/74/77/37/427747737.db2.gz GNZWDICEFSUNOQ-MRXNPFEDSA-N 1 1 319.405 2.640 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000336726516 427750875 /nfs/dbraw/zinc/75/08/75/427750875.db2.gz ZQXFSGLUDXNJKX-HNNXBMFYSA-N 1 1 312.373 2.924 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000299133145 427754004 /nfs/dbraw/zinc/75/40/04/427754004.db2.gz ZNALZYYGQBEINU-AWEZNQCLSA-N 1 1 319.405 2.837 20 5 DFBDMO Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301376213 427792415 /nfs/dbraw/zinc/79/24/15/427792415.db2.gz VXEVKNUJUIDBIF-QRTARXTBSA-N 1 1 301.390 2.824 20 5 DFBDMO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000301400942 427794091 /nfs/dbraw/zinc/79/40/91/427794091.db2.gz YQKRWMFRKPTVOX-CYBMUJFWSA-N 1 1 318.333 2.612 20 5 DFBDMO Cc1ccnc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000301483140 427799207 /nfs/dbraw/zinc/79/92/07/427799207.db2.gz XONKZJUSTWUKPR-AWEZNQCLSA-N 1 1 304.394 2.975 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301485863 427799635 /nfs/dbraw/zinc/79/96/35/427799635.db2.gz XBSLIZVRLQKZDK-LLVKDONJSA-N 1 1 311.357 2.663 20 5 DFBDMO CCOc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000301507536 427801216 /nfs/dbraw/zinc/80/12/16/427801216.db2.gz DEUYODVORAVIJL-CYBMUJFWSA-N 1 1 307.394 2.772 20 5 DFBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301593755 427808359 /nfs/dbraw/zinc/80/83/59/427808359.db2.gz FAAKSFAICMAKAK-GXFFZTMASA-N 1 1 308.338 2.644 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000301598269 427808450 /nfs/dbraw/zinc/80/84/50/427808450.db2.gz HGFOEHINYWNUHE-IINYFYTJSA-N 1 1 311.357 2.883 20 5 DFBDMO Cc1cc(N(C)CC[N@H+](C)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302235373 427852495 /nfs/dbraw/zinc/85/24/95/427852495.db2.gz FCQTYCGOSLEZEM-UHFFFAOYSA-N 1 1 314.389 2.982 20 5 DFBDMO Cc1cc(N(C)CC[N@@H+](C)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302235373 427852501 /nfs/dbraw/zinc/85/25/01/427852501.db2.gz FCQTYCGOSLEZEM-UHFFFAOYSA-N 1 1 314.389 2.982 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000349980127 427915721 /nfs/dbraw/zinc/91/57/21/427915721.db2.gz YMIVDXOVZXNWPA-KRWDZBQOSA-N 1 1 313.357 2.952 20 5 DFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304094730 427917311 /nfs/dbraw/zinc/91/73/11/427917311.db2.gz DOTGTMDRTYLLAO-HIFRSBDPSA-N 1 1 308.378 2.729 20 5 DFBDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000345827373 427923034 /nfs/dbraw/zinc/92/30/34/427923034.db2.gz HLAFZJRWRNXHRM-NSHDSACASA-N 1 1 317.183 2.560 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340204622 427954373 /nfs/dbraw/zinc/95/43/73/427954373.db2.gz VKTKRITWLYZNMF-OLZOCXBDSA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340204622 427954376 /nfs/dbraw/zinc/95/43/76/427954376.db2.gz VKTKRITWLYZNMF-OLZOCXBDSA-N 1 1 318.295 2.873 20 5 DFBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000345936128 427957529 /nfs/dbraw/zinc/95/75/29/427957529.db2.gz BQIXIOONEIPMBB-UWVGGRQHSA-N 1 1 311.407 2.519 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000345936128 427957535 /nfs/dbraw/zinc/95/75/35/427957535.db2.gz BQIXIOONEIPMBB-UWVGGRQHSA-N 1 1 311.407 2.519 20 5 DFBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000369545433 427994440 /nfs/dbraw/zinc/99/44/40/427994440.db2.gz GUEAVKQUZAWQRY-NSHDSACASA-N 1 1 304.325 2.629 20 5 DFBDMO COc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000359625484 427942565 /nfs/dbraw/zinc/94/25/65/427942565.db2.gz NKFWCHLUDZMUBR-AWEZNQCLSA-N 1 1 320.320 2.566 20 5 DFBDMO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000340909026 427947699 /nfs/dbraw/zinc/94/76/99/427947699.db2.gz ZNJSOUMRBLUPCP-YNEHKIRRSA-N 1 1 307.394 2.939 20 5 DFBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000369545432 427995068 /nfs/dbraw/zinc/99/50/68/427995068.db2.gz GUEAVKQUZAWQRY-LLVKDONJSA-N 1 1 304.325 2.629 20 5 DFBDMO C[N@@H+](CCCCNc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000413347324 428027077 /nfs/dbraw/zinc/02/70/77/428027077.db2.gz KYLHMBHVZBBQON-UHFFFAOYSA-N 1 1 321.406 2.886 20 5 DFBDMO C[C@H]1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1C ZINC000351180716 428027939 /nfs/dbraw/zinc/02/79/39/428027939.db2.gz IRHCVQGNCJYXSI-JQWIXIFHSA-N 1 1 302.334 2.843 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@]2(CCOC2)O1 ZINC000369707417 428041223 /nfs/dbraw/zinc/04/12/23/428041223.db2.gz SNSYUUTXRGQMLV-DOTOQJQBSA-N 1 1 320.389 2.673 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@]2(CCOC2)O1 ZINC000369707417 428041229 /nfs/dbraw/zinc/04/12/29/428041229.db2.gz SNSYUUTXRGQMLV-DOTOQJQBSA-N 1 1 320.389 2.673 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346192580 428062317 /nfs/dbraw/zinc/06/23/17/428062317.db2.gz PJSWYBZQGMLXES-CABCVRRESA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1C[C@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346192580 428062321 /nfs/dbraw/zinc/06/23/21/428062321.db2.gz PJSWYBZQGMLXES-CABCVRRESA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1C[C@H](C)[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346192580 428062327 /nfs/dbraw/zinc/06/23/27/428062327.db2.gz PJSWYBZQGMLXES-CABCVRRESA-N 1 1 321.421 2.778 20 5 DFBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](Nc1ncccc1[N+](=O)[O-])C2 ZINC000356184228 428057789 /nfs/dbraw/zinc/05/77/89/428057789.db2.gz FUMFNIJRQPIZLX-LLVKDONJSA-N 1 1 315.377 2.911 20 5 DFBDMO COc1cccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975237 428101715 /nfs/dbraw/zinc/10/17/15/428101715.db2.gz RSWJLTWSTRGQOF-CQSZACIVSA-N 1 1 316.361 2.637 20 5 DFBDMO Cc1noc([C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000346278348 428104655 /nfs/dbraw/zinc/10/46/55/428104655.db2.gz VCJDFUHONMCPMT-JTQLQIEISA-N 1 1 322.752 2.929 20 5 DFBDMO Cc1noc([C@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000346278348 428104658 /nfs/dbraw/zinc/10/46/58/428104658.db2.gz VCJDFUHONMCPMT-JTQLQIEISA-N 1 1 322.752 2.929 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000370049961 428121594 /nfs/dbraw/zinc/12/15/94/428121594.db2.gz MAFREXZLHCKZNH-ABAIWWIYSA-N 1 1 309.797 2.774 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]21 ZINC000370082695 428130525 /nfs/dbraw/zinc/13/05/25/428130525.db2.gz OTTNIDQERPUANL-XHDPSFHLSA-N 1 1 309.797 2.774 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535057 428139361 /nfs/dbraw/zinc/13/93/61/428139361.db2.gz LWYWHGRFMJJCIN-UKRRQHHQSA-N 1 1 321.421 2.908 20 5 DFBDMO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070102 428143157 /nfs/dbraw/zinc/14/31/57/428143157.db2.gz GXPHQEODECXDSB-GXTWGEPZSA-N 1 1 307.369 2.963 20 5 DFBDMO CCOc1ccccc1[C@H](CC)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341663344 428144839 /nfs/dbraw/zinc/14/48/39/428144839.db2.gz XIFUHJFXTAWKSF-ZDUSSCGKSA-N 1 1 318.377 2.968 20 5 DFBDMO CCc1nc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000360155887 428185925 /nfs/dbraw/zinc/18/59/25/428185925.db2.gz BIWYOVYMJYZOIO-CYBMUJFWSA-N 1 1 316.361 2.920 20 5 DFBDMO CCc1nc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000360155887 428185931 /nfs/dbraw/zinc/18/59/31/428185931.db2.gz BIWYOVYMJYZOIO-CYBMUJFWSA-N 1 1 316.361 2.920 20 5 DFBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000370415834 428208126 /nfs/dbraw/zinc/20/81/26/428208126.db2.gz PCUBWJICLJXJHX-INIZCTEOSA-N 1 1 300.362 2.974 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000352721400 428219430 /nfs/dbraw/zinc/21/94/30/428219430.db2.gz QTFVTJVJAPAJCC-AWEZNQCLSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000352721400 428219438 /nfs/dbraw/zinc/21/94/38/428219438.db2.gz QTFVTJVJAPAJCC-AWEZNQCLSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c(F)c1 ZINC000352721401 428219617 /nfs/dbraw/zinc/21/96/17/428219617.db2.gz QTFVTJVJAPAJCC-CQSZACIVSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)c(F)c1 ZINC000352721401 428219623 /nfs/dbraw/zinc/21/96/23/428219623.db2.gz QTFVTJVJAPAJCC-CQSZACIVSA-N 1 1 304.325 2.768 20 5 DFBDMO Cc1occc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000414393176 428285484 /nfs/dbraw/zinc/28/54/84/428285484.db2.gz HENSLYZROADLBK-CYBMUJFWSA-N 1 1 302.334 2.578 20 5 DFBDMO O=C(C[N@@H+]1C[C@H]2CCCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000378048969 428295165 /nfs/dbraw/zinc/29/51/65/428295165.db2.gz NAGBPJQAAHQPLV-OCCSQVGLSA-N 1 1 303.362 2.798 20 5 DFBDMO O=C(C[N@H+]1C[C@H]2CCCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000378048969 428295169 /nfs/dbraw/zinc/29/51/69/428295169.db2.gz NAGBPJQAAHQPLV-OCCSQVGLSA-N 1 1 303.362 2.798 20 5 DFBDMO COC(=O)[C@@]12C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000342113375 428305399 /nfs/dbraw/zinc/30/53/99/428305399.db2.gz GTYLQEPIKJXWAK-YOEHRIQHSA-N 1 1 318.373 2.760 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000370879740 428314458 /nfs/dbraw/zinc/31/44/58/428314458.db2.gz YCBQEKJVNCQLAQ-KGLIPLIRSA-N 1 1 311.332 2.936 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414562790 428344186 /nfs/dbraw/zinc/34/41/86/428344186.db2.gz VLLBBJJRTGOHAV-INIZCTEOSA-N 1 1 306.362 2.678 20 5 DFBDMO C[N@H+](CCc1ccccn1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000356879919 428345692 /nfs/dbraw/zinc/34/56/92/428345692.db2.gz RFTPVYYOMBDESS-UHFFFAOYSA-N 1 1 311.345 2.541 20 5 DFBDMO C[N@@H+](CCc1ccccn1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000356879919 428345697 /nfs/dbraw/zinc/34/56/97/428345697.db2.gz RFTPVYYOMBDESS-UHFFFAOYSA-N 1 1 311.345 2.541 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000371062996 428350849 /nfs/dbraw/zinc/35/08/49/428350849.db2.gz FSBMDMLJIWRVQK-OAHLLOKOSA-N 1 1 320.389 2.722 20 5 DFBDMO CC[NH+](CC)Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000346865704 428350813 /nfs/dbraw/zinc/35/08/13/428350813.db2.gz HBWQOEXSSKPEOE-UHFFFAOYSA-N 1 1 304.350 2.719 20 5 DFBDMO CC[N@@H+](CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)C1CC1 ZINC000342104242 428300795 /nfs/dbraw/zinc/30/07/95/428300795.db2.gz CGQAMYAHONWISG-UHFFFAOYSA-N 1 1 321.377 2.586 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000347003940 428405892 /nfs/dbraw/zinc/40/58/92/428405892.db2.gz ADSMZUWVXMYIIY-JOYOIKCWSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000347003940 428405897 /nfs/dbraw/zinc/40/58/97/428405897.db2.gz ADSMZUWVXMYIIY-JOYOIKCWSA-N 1 1 312.753 2.632 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000353038353 428364856 /nfs/dbraw/zinc/36/48/56/428364856.db2.gz MNBVKIJBCLZURL-HNNXBMFYSA-N 1 1 300.362 2.878 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353063338 428374489 /nfs/dbraw/zinc/37/44/89/428374489.db2.gz SRMDSXMZJSHGQW-CYBMUJFWSA-N 1 1 309.410 2.813 20 5 DFBDMO C[C@@H]1COCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000371175686 428374735 /nfs/dbraw/zinc/37/47/35/428374735.db2.gz HSFCUVKVPHAQDS-LBPRGKRZSA-N 1 1 317.345 2.718 20 5 DFBDMO C[C@@H]1COCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000371175686 428374742 /nfs/dbraw/zinc/37/47/42/428374742.db2.gz HSFCUVKVPHAQDS-LBPRGKRZSA-N 1 1 317.345 2.718 20 5 DFBDMO NC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000414869210 428438878 /nfs/dbraw/zinc/43/88/78/428438878.db2.gz AHWCSIMVMVEIIZ-ZFWWWQNUSA-N 1 1 303.406 2.777 20 5 DFBDMO CCCNCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414874902 428442209 /nfs/dbraw/zinc/44/22/09/428442209.db2.gz SZPUVSKPKNZGJD-ZBFHGGJFSA-N 1 1 305.422 2.895 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000414842571 428430155 /nfs/dbraw/zinc/43/01/55/428430155.db2.gz ITKICPWPQQZHNQ-BPUTZDHNSA-N 1 1 303.406 2.648 20 5 DFBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCCC[C@@H]1C ZINC000343070598 428514610 /nfs/dbraw/zinc/51/46/10/428514610.db2.gz FIQXUQIRGXNLSL-WDEREUQCSA-N 1 1 311.407 2.649 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000373155806 428521844 /nfs/dbraw/zinc/52/18/44/428521844.db2.gz AQBHZOAEVHFXPI-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347285224 428528443 /nfs/dbraw/zinc/52/84/43/428528443.db2.gz LVTDZVYPMKZMHZ-CYBMUJFWSA-N 1 1 324.356 2.682 20 5 DFBDMO CC1=C(C)C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000361624540 428583277 /nfs/dbraw/zinc/58/32/77/428583277.db2.gz RBVSEETWTJGMOC-CYBMUJFWSA-N 1 1 303.362 2.964 20 5 DFBDMO CC1=C(C)C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000361624540 428583282 /nfs/dbraw/zinc/58/32/82/428583282.db2.gz RBVSEETWTJGMOC-CYBMUJFWSA-N 1 1 303.362 2.964 20 5 DFBDMO CCOC(=O)CC(C)(C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000343876177 428586897 /nfs/dbraw/zinc/58/68/97/428586897.db2.gz USCXJAXTQKTFHB-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000343876177 428586900 /nfs/dbraw/zinc/58/69/00/428586900.db2.gz USCXJAXTQKTFHB-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@]2(CCOC2)O1 ZINC000373477676 428587568 /nfs/dbraw/zinc/58/75/68/428587568.db2.gz ATMSDBFBENZLJM-IRXDYDNUSA-N 1 1 320.389 2.673 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@]2(CCOC2)O1 ZINC000373477677 428588684 /nfs/dbraw/zinc/58/86/84/428588684.db2.gz ATMSDBFBENZLJM-SJORKVTESA-N 1 1 320.389 2.673 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cnn(C)c1 ZINC000347318543 428542271 /nfs/dbraw/zinc/54/22/71/428542271.db2.gz NPGIMLAFDNBAET-NTUHNPAUSA-N 1 1 300.362 2.864 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353463220 428548495 /nfs/dbraw/zinc/54/84/95/428548495.db2.gz WHKGUCZKSURXCT-QWHCGFSZSA-N 1 1 319.405 2.883 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353463220 428548504 /nfs/dbraw/zinc/54/85/04/428548504.db2.gz WHKGUCZKSURXCT-QWHCGFSZSA-N 1 1 319.405 2.883 20 5 DFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CCCCCC3)C2)nc1 ZINC000373379543 428562213 /nfs/dbraw/zinc/56/22/13/428562213.db2.gz QXQZTDASMIJWLD-LBPRGKRZSA-N 1 1 305.382 2.594 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000344031965 428611449 /nfs/dbraw/zinc/61/14/49/428611449.db2.gz OBDWBSGCYRQIIF-AAEUAGOBSA-N 1 1 303.362 2.654 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000344031800 428612515 /nfs/dbraw/zinc/61/25/15/428612515.db2.gz CYRXAZCIZZHRSQ-ZBFHGGJFSA-N 1 1 320.389 2.623 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC000373709915 428637646 /nfs/dbraw/zinc/63/76/46/428637646.db2.gz BQKKUMWJLNNURS-MLGOLLRUSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000373709916 428638827 /nfs/dbraw/zinc/63/88/27/428638827.db2.gz BQKKUMWJLNNURS-WBMJQRKESA-N 1 1 312.373 2.673 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000373722590 428640453 /nfs/dbraw/zinc/64/04/53/428640453.db2.gz ZYTQXCKIBVMICK-HZPDHXFCSA-N 1 1 319.405 2.662 20 5 DFBDMO CO[C@H](C)C[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000354467977 274074997 /nfs/dbraw/zinc/07/49/97/274074997.db2.gz VJGLJKNTZFIBBB-CYBMUJFWSA-N 1 1 323.393 2.587 20 5 DFBDMO COc1cccc(N[C@@H]2CCc3[nH+]c(C)cn3C2)c1[N+](=O)[O-] ZINC000302626355 274148329 /nfs/dbraw/zinc/14/83/29/274148329.db2.gz FPMIRBQWCWCEDA-LLVKDONJSA-N 1 1 302.334 2.535 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCSC[C@@H](C)C1 ZINC000190435061 274203011 /nfs/dbraw/zinc/20/30/11/274203011.db2.gz CETNYJYNQPEEBO-RYUDHWBXSA-N 1 1 323.418 2.607 20 5 DFBDMO Cc1cc(N2CC[N@H+](C)C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408433628 428659258 /nfs/dbraw/zinc/65/92/58/428659258.db2.gz NBMPBDOCCCQAMD-LBPRGKRZSA-N 1 1 300.362 2.592 20 5 DFBDMO Cc1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408434885 428660198 /nfs/dbraw/zinc/66/01/98/428660198.db2.gz JJKNMZMIWQEBAQ-QWHCGFSZSA-N 1 1 314.389 2.980 20 5 DFBDMO Cc1ccc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000353714121 428674660 /nfs/dbraw/zinc/67/46/60/428674660.db2.gz PUWABIHOBJQMJZ-ZBFHGGJFSA-N 1 1 303.406 2.962 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000374542137 428696767 /nfs/dbraw/zinc/69/67/67/428696767.db2.gz SNZAOWPKGUGZGR-SNVBAGLBSA-N 1 1 321.768 2.746 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000374542137 428696770 /nfs/dbraw/zinc/69/67/70/428696770.db2.gz SNZAOWPKGUGZGR-SNVBAGLBSA-N 1 1 321.768 2.746 20 5 DFBDMO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000374582877 428703368 /nfs/dbraw/zinc/70/33/68/428703368.db2.gz DWTKHWWICXZVFX-CQSZACIVSA-N 1 1 314.389 2.935 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H](F)C[C@@H]3CO)o2)c1 ZINC000344825040 428708719 /nfs/dbraw/zinc/70/87/19/428708719.db2.gz JKIBPZNMRPWQMF-GXTWGEPZSA-N 1 1 320.320 2.760 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H](F)C[C@@H]3CO)o2)c1 ZINC000344825040 428708724 /nfs/dbraw/zinc/70/87/24/428708724.db2.gz JKIBPZNMRPWQMF-GXTWGEPZSA-N 1 1 320.320 2.760 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](C1CC1)[NH+](C)C ZINC000344842377 428711739 /nfs/dbraw/zinc/71/17/39/428711739.db2.gz BEUQXPNVXMULLJ-HOFZKYPUSA-N 1 1 303.406 2.928 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OC)CC1 ZINC000374691358 428732283 /nfs/dbraw/zinc/73/22/83/428732283.db2.gz CSDKENDHCGYLEI-HNNXBMFYSA-N 1 1 308.378 2.994 20 5 DFBDMO CC[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000374444213 428679561 /nfs/dbraw/zinc/67/95/61/428679561.db2.gz PVMOVODECZJGQW-DZGCQCFKSA-N 1 1 300.362 2.916 20 5 DFBDMO CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411222561 428760770 /nfs/dbraw/zinc/76/07/70/428760770.db2.gz WLOMKYLZFKINEO-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000374854167 428764649 /nfs/dbraw/zinc/76/46/49/428764649.db2.gz DPMRRQIOFSVWRH-HNNXBMFYSA-N 1 1 316.361 2.924 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000374854167 428764651 /nfs/dbraw/zinc/76/46/51/428764651.db2.gz DPMRRQIOFSVWRH-HNNXBMFYSA-N 1 1 316.361 2.924 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000411289454 428772843 /nfs/dbraw/zinc/77/28/43/428772843.db2.gz HEKVLRPQOCSXDN-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO CSC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411328129 428779046 /nfs/dbraw/zinc/77/90/46/428779046.db2.gz PACUIMWKTCWFSM-CQSZACIVSA-N 1 1 323.418 2.751 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000375048406 428796970 /nfs/dbraw/zinc/79/69/70/428796970.db2.gz ICULCMNRWRVIAE-SJKOYZFVSA-N 1 1 312.373 2.673 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000353997982 428809526 /nfs/dbraw/zinc/80/95/26/428809526.db2.gz UCDQHVZYGCQIPE-GMNBZTITSA-N 1 1 302.374 2.987 20 5 DFBDMO CSc1cccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000362893715 428811408 /nfs/dbraw/zinc/81/14/08/428811408.db2.gz OBDDSUHIZNDCLG-JQWIXIFHSA-N 1 1 323.418 2.529 20 5 DFBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354003133 428814682 /nfs/dbraw/zinc/81/46/82/428814682.db2.gz RLGMXEKWJSRXIG-CYBMUJFWSA-N 1 1 319.405 2.926 20 5 DFBDMO C[C@@H]1CCSCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411624629 428826042 /nfs/dbraw/zinc/82/60/42/428826042.db2.gz JPQJKFFAJIWENY-GFCCVEGCSA-N 1 1 323.418 2.751 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000363098059 428855451 /nfs/dbraw/zinc/85/54/51/428855451.db2.gz ZISSDKYSPZQVOT-RYUDHWBXSA-N 1 1 323.780 2.605 20 5 DFBDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000354112590 428868751 /nfs/dbraw/zinc/86/87/51/428868751.db2.gz ZLMZBSYGHLBQRX-CVEARBPZSA-N 1 1 319.405 2.816 20 5 DFBDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000354112590 428868755 /nfs/dbraw/zinc/86/87/55/428868755.db2.gz ZLMZBSYGHLBQRX-CVEARBPZSA-N 1 1 319.405 2.816 20 5 DFBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411882503 428874348 /nfs/dbraw/zinc/87/43/48/428874348.db2.gz MOAQLJSLSTYNDR-JKSUJKDBSA-N 1 1 319.405 2.545 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000348951392 428885696 /nfs/dbraw/zinc/88/56/96/428885696.db2.gz RPEJBWWYRYXFTF-KRWDZBQOSA-N 1 1 320.389 2.865 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000375488782 428896959 /nfs/dbraw/zinc/89/69/59/428896959.db2.gz UEOQRBNPAMKLSU-CYBMUJFWSA-N 1 1 323.356 2.870 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219754 428922908 /nfs/dbraw/zinc/92/29/08/428922908.db2.gz DGFHYXPPBFQXQR-CABCVRRESA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219754 428922933 /nfs/dbraw/zinc/92/29/33/428922933.db2.gz DGFHYXPPBFQXQR-CABCVRRESA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219754 428922939 /nfs/dbraw/zinc/92/29/39/428922939.db2.gz DGFHYXPPBFQXQR-CABCVRRESA-N 1 1 321.421 2.778 20 5 DFBDMO CC(C)OCC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000349213710 428940792 /nfs/dbraw/zinc/94/07/92/428940792.db2.gz DPIPVMYXLLNGOI-KRWDZBQOSA-N 1 1 324.421 2.981 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC12CCOCC2 ZINC000375712835 428950651 /nfs/dbraw/zinc/95/06/51/428950651.db2.gz VBQGZDMWUDQARH-UHFFFAOYSA-N 1 1 306.362 2.748 20 5 DFBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000363641679 428960506 /nfs/dbraw/zinc/96/05/06/428960506.db2.gz QKWBPLRODKFCCQ-CFVMTHIKSA-N 1 1 308.353 2.979 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375754677 428964154 /nfs/dbraw/zinc/96/41/54/428964154.db2.gz CQPRIWLEMMBKKI-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO CO[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000363692816 428969625 /nfs/dbraw/zinc/96/96/25/428969625.db2.gz PYNDFVRKDVSVGE-GFCCVEGCSA-N 1 1 305.334 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451793837 428977567 /nfs/dbraw/zinc/97/75/67/428977567.db2.gz WGVGNMLQKJPTGT-AWEZNQCLSA-N 1 1 310.394 2.832 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000375814470 428984161 /nfs/dbraw/zinc/98/41/61/428984161.db2.gz LPKRZDGRGRYPDP-ZFWWWQNUSA-N 1 1 317.389 2.602 20 5 DFBDMO COc1cc(C[NH2+]C(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000452100425 429056649 /nfs/dbraw/zinc/05/66/49/429056649.db2.gz ZWJFDMOTXWWDQA-UHFFFAOYSA-N 1 1 307.394 2.567 20 5 DFBDMO CCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000376222208 429078384 /nfs/dbraw/zinc/07/83/84/429078384.db2.gz PNYJYAQEKJEOSA-UHFFFAOYSA-N 1 1 305.378 2.720 20 5 DFBDMO CC(=O)c1cc(N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000376222150 429078623 /nfs/dbraw/zinc/07/86/23/429078623.db2.gz PDPVXCFVKRIDFY-DLBZAZTESA-N 1 1 317.389 2.860 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cncn1C(C)C ZINC000424154065 429101376 /nfs/dbraw/zinc/10/13/76/429101376.db2.gz LAIWGHXZRHAXBP-UHFFFAOYSA-N 1 1 304.350 2.671 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCn2cc[nH+]c21 ZINC000376409362 429108023 /nfs/dbraw/zinc/10/80/23/429108023.db2.gz SRFISZNPMPHECT-LBPRGKRZSA-N 1 1 314.345 2.983 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000434959263 429116195 /nfs/dbraw/zinc/11/61/95/429116195.db2.gz KYEJXTKNTSRPAQ-JQWIXIFHSA-N 1 1 312.801 2.952 20 5 DFBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(CC)CC ZINC000434983663 429118320 /nfs/dbraw/zinc/11/83/20/429118320.db2.gz SOIRLKPCNRWHTE-UONOGXRCSA-N 1 1 324.425 2.707 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c2cccnc21 ZINC000413045102 429127735 /nfs/dbraw/zinc/12/77/35/429127735.db2.gz DZKQMWHJFYJBAJ-CYBMUJFWSA-N 1 1 312.373 2.818 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c(F)c1 ZINC000301808241 275033680 /nfs/dbraw/zinc/03/36/80/275033680.db2.gz WWLFLKXTGHCQIB-NVBFEUDRSA-N 1 1 323.343 2.794 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000245413980 275036673 /nfs/dbraw/zinc/03/66/73/275036673.db2.gz CMKRYRKGLYDAGW-NSHDSACASA-N 1 1 315.295 2.898 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289929577 275039866 /nfs/dbraw/zinc/03/98/66/275039866.db2.gz PAHAWKRREWXCRV-ZDUSSCGKSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289929577 275039867 /nfs/dbraw/zinc/03/98/67/275039867.db2.gz PAHAWKRREWXCRV-ZDUSSCGKSA-N 1 1 306.753 2.892 20 5 DFBDMO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000364400015 429196922 /nfs/dbraw/zinc/19/69/22/429196922.db2.gz BEFYZVKEILHYAM-UHFFFAOYSA-N 1 1 305.334 2.737 20 5 DFBDMO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000364400015 429196926 /nfs/dbraw/zinc/19/69/26/429196926.db2.gz BEFYZVKEILHYAM-UHFFFAOYSA-N 1 1 305.334 2.737 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)o2)c1 ZINC000364447197 429205908 /nfs/dbraw/zinc/20/59/08/429205908.db2.gz KXMFDWWZWVZISX-MRXNPFEDSA-N 1 1 314.341 2.812 20 5 DFBDMO COCCC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425392136 429284689 /nfs/dbraw/zinc/28/46/89/429284689.db2.gz ALTJRNOXWJPVCI-UHFFFAOYSA-N 1 1 317.183 2.826 20 5 DFBDMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000425405341 429286918 /nfs/dbraw/zinc/28/69/18/429286918.db2.gz NHUYNRSLIKNCIE-LLVKDONJSA-N 1 1 315.167 2.578 20 5 DFBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000425405341 429286920 /nfs/dbraw/zinc/28/69/20/429286920.db2.gz NHUYNRSLIKNCIE-LLVKDONJSA-N 1 1 315.167 2.578 20 5 DFBDMO Cc1cccc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000364607029 429233212 /nfs/dbraw/zinc/23/32/12/429233212.db2.gz LBBILNKASVQZQR-KGLIPLIRSA-N 1 1 305.378 2.568 20 5 DFBDMO Cc1cccc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000364607029 429233214 /nfs/dbraw/zinc/23/32/14/429233214.db2.gz LBBILNKASVQZQR-KGLIPLIRSA-N 1 1 305.378 2.568 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489438828 429242969 /nfs/dbraw/zinc/24/29/69/429242969.db2.gz OOUMZBVZDCWPMS-AWEZNQCLSA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489438828 429242973 /nfs/dbraw/zinc/24/29/73/429242973.db2.gz OOUMZBVZDCWPMS-AWEZNQCLSA-N 1 1 321.377 2.662 20 5 DFBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCO[C@H]1C ZINC000489457809 429245226 /nfs/dbraw/zinc/24/52/26/429245226.db2.gz AFZKGGPIKDDUBI-XJKSGUPXSA-N 1 1 308.378 2.529 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)cc1 ZINC000364741268 429260291 /nfs/dbraw/zinc/26/02/91/429260291.db2.gz HETTWWUIUADIJA-MRXNPFEDSA-N 1 1 300.362 2.846 20 5 DFBDMO CCOc1cccc(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489927268 429268119 /nfs/dbraw/zinc/26/81/19/429268119.db2.gz WECIPWDKLHWIQV-LLVKDONJSA-N 1 1 302.334 2.617 20 5 DFBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365024708 429273398 /nfs/dbraw/zinc/27/33/98/429273398.db2.gz DBAZZWCOVJSWNC-KGLIPLIRSA-N 1 1 312.373 3.182 20 5 DFBDMO CCc1ccc(C(=O)N2CC[N@H+](CC)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000456384803 429294123 /nfs/dbraw/zinc/29/41/23/429294123.db2.gz QJZAMBIQZGSLES-HNNXBMFYSA-N 1 1 319.405 2.714 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490582064 429294244 /nfs/dbraw/zinc/29/42/44/429294244.db2.gz UDSKXDNPIZROIW-UHFFFAOYSA-N 1 1 323.356 2.524 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426454380 429391917 /nfs/dbraw/zinc/39/19/17/429391917.db2.gz OXNORQKDMNIUID-SWLSCSKDSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426454024 429392901 /nfs/dbraw/zinc/39/29/01/429392901.db2.gz LOKZKVTUDHWHSO-CHWSQXEVSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1cccc(C(=O)NCC[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457082231 429395095 /nfs/dbraw/zinc/39/50/95/429395095.db2.gz WJBRVWDNSMENNX-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(C)(F)F ZINC000449413111 429409164 /nfs/dbraw/zinc/40/91/64/429409164.db2.gz HUWRPAPONOSDKA-UWVGGRQHSA-N 1 1 315.320 2.945 20 5 DFBDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000449192877 429355275 /nfs/dbraw/zinc/35/52/75/429355275.db2.gz RRUODJYZMFWCLF-VXGBXAGGSA-N 1 1 302.378 2.778 20 5 DFBDMO COc1cc(C[NH2+]Cc2cnccc2C)c([N+](=O)[O-])cc1OC ZINC000449524468 429443432 /nfs/dbraw/zinc/44/34/32/429443432.db2.gz NYXNIEKGOOPJHM-UHFFFAOYSA-N 1 1 317.345 2.605 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449498803 429435201 /nfs/dbraw/zinc/43/52/01/429435201.db2.gz LEBGWUUIZYIWGK-OAHLLOKOSA-N 1 1 300.362 2.708 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449675279 429474917 /nfs/dbraw/zinc/47/49/17/429474917.db2.gz ZEJIGTAYUHHDLH-WCQYABFASA-N 1 1 318.295 2.648 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000449676374 429475522 /nfs/dbraw/zinc/47/55/22/429475522.db2.gz GRPWZRSJVNYXGD-CJNGLKHVSA-N 1 1 322.405 2.690 20 5 DFBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492575156 429568303 /nfs/dbraw/zinc/56/83/03/429568303.db2.gz IJNVSKXKLAWOPY-XMELGKRDSA-N 1 1 317.389 2.597 20 5 DFBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004330 429572245 /nfs/dbraw/zinc/57/22/45/429572245.db2.gz FINXYGVHPIVNNF-JKIFEVAISA-N 1 1 303.406 2.757 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367079082 429573377 /nfs/dbraw/zinc/57/33/77/429573377.db2.gz TUARDWNOJUHGNQ-SWLSCSKDSA-N 1 1 306.362 2.604 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367079082 429573381 /nfs/dbraw/zinc/57/33/81/429573381.db2.gz TUARDWNOJUHGNQ-SWLSCSKDSA-N 1 1 306.362 2.604 20 5 DFBDMO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000450253516 429586400 /nfs/dbraw/zinc/58/64/00/429586400.db2.gz OPTMEOYXSTXEEC-KBPBESRZSA-N 1 1 312.373 3.182 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429574781 429618450 /nfs/dbraw/zinc/61/84/50/429618450.db2.gz BHCKSDFRLYADTQ-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000429580229 429618530 /nfs/dbraw/zinc/61/85/30/429618530.db2.gz UCHWGOIZRQQFSI-TZMCWYRMSA-N 1 1 317.389 2.604 20 5 DFBDMO CCOc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000492818497 429622824 /nfs/dbraw/zinc/62/28/24/429622824.db2.gz OHPXVQOZNHBVCR-UKRRQHHQSA-N 1 1 308.378 2.729 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000429774148 429632580 /nfs/dbraw/zinc/63/25/80/429632580.db2.gz MEGYOJYIZVPMEH-GXTWGEPZSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450545741 429644489 /nfs/dbraw/zinc/64/44/89/429644489.db2.gz AQMMYJYLCKCCOP-CYBMUJFWSA-N 1 1 319.405 2.914 20 5 DFBDMO CC[N@@H+](CCNc1nccc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000450307667 429596058 /nfs/dbraw/zinc/59/60/58/429596058.db2.gz ZEZLDTBVFCPOBX-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DFBDMO CCc1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000458222758 429605652 /nfs/dbraw/zinc/60/56/52/429605652.db2.gz QPMZGQAYUSAOBG-ZDUSSCGKSA-N 1 1 319.405 2.619 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000450353350 429606727 /nfs/dbraw/zinc/60/67/27/429606727.db2.gz YOAKRWUWQMATKV-NEPJUHHUSA-N 1 1 317.393 2.780 20 5 DFBDMO CCC[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000430154301 429657657 /nfs/dbraw/zinc/65/76/57/429657657.db2.gz ZUPNBZUWRTVUDT-UHFFFAOYSA-N 1 1 317.345 2.552 20 5 DFBDMO CCC[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000430154301 429657663 /nfs/dbraw/zinc/65/76/63/429657663.db2.gz ZUPNBZUWRTVUDT-UHFFFAOYSA-N 1 1 317.345 2.552 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000430223735 429664849 /nfs/dbraw/zinc/66/48/49/429664849.db2.gz IERLJJARAJNEHB-UHFFFAOYSA-N 1 1 321.421 2.767 20 5 DFBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000430228533 429665314 /nfs/dbraw/zinc/66/53/14/429665314.db2.gz VNDUQISMOPUXNR-UHFFFAOYSA-N 1 1 324.377 2.625 20 5 DFBDMO CC1=C[C@H](C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430284501 429674886 /nfs/dbraw/zinc/67/48/86/429674886.db2.gz MLFBFDKSKNWEHO-LRDDRELGSA-N 1 1 315.373 2.598 20 5 DFBDMO CC1=C[C@H](C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430284501 429674890 /nfs/dbraw/zinc/67/48/90/429674890.db2.gz MLFBFDKSKNWEHO-LRDDRELGSA-N 1 1 315.373 2.598 20 5 DFBDMO CC1=C[C@@H](C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430284503 429674122 /nfs/dbraw/zinc/67/41/22/429674122.db2.gz MLFBFDKSKNWEHO-WBMJQRKESA-N 1 1 315.373 2.598 20 5 DFBDMO CC1=C[C@@H](C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430284503 429674127 /nfs/dbraw/zinc/67/41/27/429674127.db2.gz MLFBFDKSKNWEHO-WBMJQRKESA-N 1 1 315.373 2.598 20 5 DFBDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000525996793 429692267 /nfs/dbraw/zinc/69/22/67/429692267.db2.gz JGNOKXDAEHXULE-TXEJJXNPSA-N 1 1 300.362 2.978 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC(F)F ZINC000368183480 429805968 /nfs/dbraw/zinc/80/59/68/429805968.db2.gz HHHFELCOKORQMP-MRVPVSSYSA-N 1 1 324.287 2.889 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1OC(F)F ZINC000368183480 429805971 /nfs/dbraw/zinc/80/59/71/429805971.db2.gz HHHFELCOKORQMP-MRVPVSSYSA-N 1 1 324.287 2.889 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCCn2cc[nH+]c21 ZINC000367934351 429747404 /nfs/dbraw/zinc/74/74/04/429747404.db2.gz HNOSLHJIFFQBER-LBPRGKRZSA-N 1 1 314.345 2.983 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367946365 429749001 /nfs/dbraw/zinc/74/90/01/429749001.db2.gz XFGYQFKLWWYZJJ-STQMWFEESA-N 1 1 303.362 2.836 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000451077491 429763646 /nfs/dbraw/zinc/76/36/46/429763646.db2.gz BJSGIXSMVNEPOP-ZDUSSCGKSA-N 1 1 319.405 2.520 20 5 DFBDMO Cc1c(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000451084413 429764470 /nfs/dbraw/zinc/76/44/70/429764470.db2.gz RGNCDSLZKFNHFI-ZDUSSCGKSA-N 1 1 303.406 2.819 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368087154 429783862 /nfs/dbraw/zinc/78/38/62/429783862.db2.gz CQUZFMZUGOULLX-YWPYICTPSA-N 1 1 303.362 2.796 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368087154 429783865 /nfs/dbraw/zinc/78/38/65/429783865.db2.gz CQUZFMZUGOULLX-YWPYICTPSA-N 1 1 303.362 2.796 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000368088557 429784653 /nfs/dbraw/zinc/78/46/53/429784653.db2.gz GTWAFYMEHPYQDW-OAHLLOKOSA-N 1 1 316.361 2.555 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000368088557 429784658 /nfs/dbraw/zinc/78/46/58/429784658.db2.gz GTWAFYMEHPYQDW-OAHLLOKOSA-N 1 1 316.361 2.555 20 5 DFBDMO CCCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCC[C@H]1OC ZINC000451650952 429868605 /nfs/dbraw/zinc/86/86/05/429868605.db2.gz LNDDQGMERCTFGF-UKRRQHHQSA-N 1 1 324.425 2.888 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000368323330 429830144 /nfs/dbraw/zinc/83/01/44/429830144.db2.gz GTPBKSCFCAUDQX-INIZCTEOSA-N 1 1 300.362 2.937 20 5 DFBDMO CCO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000451542667 429847136 /nfs/dbraw/zinc/84/71/36/429847136.db2.gz NYBYVBWGGACGOK-FZMZJTMJSA-N 1 1 319.361 2.983 20 5 DFBDMO CCO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000451542667 429847140 /nfs/dbraw/zinc/84/71/40/429847140.db2.gz NYBYVBWGGACGOK-FZMZJTMJSA-N 1 1 319.361 2.983 20 5 DFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)C(F)(F)F)C2)cc1 ZINC000451543716 429847789 /nfs/dbraw/zinc/84/77/89/429847789.db2.gz CFMONIDGMVAVGD-YPMHNXCESA-N 1 1 318.295 2.697 20 5 DFBDMO CCOCC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543153 429848526 /nfs/dbraw/zinc/84/85/26/429848526.db2.gz BAIYRUVQOKQDTI-NVXWUHKLSA-N 1 1 322.405 2.562 20 5 DFBDMO CCO[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451552856 429852283 /nfs/dbraw/zinc/85/22/83/429852283.db2.gz ZEOQDASIIOMTIE-HIFRSBDPSA-N 1 1 308.378 2.721 20 5 DFBDMO Cn1nccc1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553672 429853731 /nfs/dbraw/zinc/85/37/31/429853731.db2.gz YMUVQSXOWPTJMJ-OAHLLOKOSA-N 1 1 314.389 2.750 20 5 DFBDMO C[C@H]1[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000368217902 429809242 /nfs/dbraw/zinc/80/92/42/429809242.db2.gz BIPSYJZPSJTBSG-CQSZACIVSA-N 1 1 320.389 2.865 20 5 DFBDMO Cc1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000368660964 429884386 /nfs/dbraw/zinc/88/43/86/429884386.db2.gz WXZYTAKCUDOUDH-HIFRSBDPSA-N 1 1 317.389 2.602 20 5 DFBDMO COC[C@@H]1CCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000368764072 429892530 /nfs/dbraw/zinc/89/25/30/429892530.db2.gz YADOOWYDNWHGIL-CQSZACIVSA-N 1 1 308.378 2.722 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000369470092 429950594 /nfs/dbraw/zinc/95/05/94/429950594.db2.gz VCTJPAAKWHPCPR-ZBFHGGJFSA-N 1 1 306.362 2.747 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000558690210 429986713 /nfs/dbraw/zinc/98/67/13/429986713.db2.gz APMZWOTWIYHOTO-KGLIPLIRSA-N 1 1 319.405 2.546 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCCC[C@H]12 ZINC000560093592 430021616 /nfs/dbraw/zinc/02/16/16/430021616.db2.gz MAUTWAZFQMCCLK-FVQBIDKESA-N 1 1 319.405 2.657 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCN(C)C1 ZINC000530326485 430110521 /nfs/dbraw/zinc/11/05/21/430110521.db2.gz VSVLHDYVJZVELE-SCZPIIQISA-N 1 1 303.406 2.930 20 5 DFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269618442 277156291 /nfs/dbraw/zinc/15/62/91/277156291.db2.gz HJTHXBLHPTZAEL-IINYFYTJSA-N 1 1 311.332 2.794 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000364314190 277178341 /nfs/dbraw/zinc/17/83/41/277178341.db2.gz ZHVDEEGIPSIUMS-LRDDRELGSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC000292326341 277186081 /nfs/dbraw/zinc/18/60/81/277186081.db2.gz PDQVARXBXNVWMA-KRWDZBQOSA-N 1 1 312.373 2.675 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)ccc1[N+](=O)[O-] ZINC000565349309 430208537 /nfs/dbraw/zinc/20/85/37/430208537.db2.gz DWKROYOBAATSPE-MRXNPFEDSA-N 1 1 320.389 2.873 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516088 430216546 /nfs/dbraw/zinc/21/65/46/430216546.db2.gz VPRBYZGIFIOTLB-CSVGXABCSA-N 1 1 303.406 2.880 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1O ZINC000543252199 430242423 /nfs/dbraw/zinc/24/24/23/430242423.db2.gz BWQGDQUNJBFYDN-UHFFFAOYSA-N 1 1 316.357 2.854 20 5 DFBDMO C[C@@H]([N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000544060814 430271663 /nfs/dbraw/zinc/27/16/63/430271663.db2.gz AHTBUTVZHAIHED-OLZOCXBDSA-N 1 1 310.394 2.701 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC000542864500 430229644 /nfs/dbraw/zinc/22/96/44/430229644.db2.gz OBKNPLUQSGQMDD-UHFFFAOYSA-N 1 1 306.410 2.917 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000583907753 430438295 /nfs/dbraw/zinc/43/82/95/430438295.db2.gz KMBOUSVMPQXVMK-OCCSQVGLSA-N 1 1 308.378 2.586 20 5 DFBDMO C[N@@H+]1CCC[C@@H]1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000569347311 430445917 /nfs/dbraw/zinc/44/59/17/430445917.db2.gz WFGIPYYUJREHEG-OLZOCXBDSA-N 1 1 317.311 2.882 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000569347311 430445923 /nfs/dbraw/zinc/44/59/23/430445923.db2.gz WFGIPYYUJREHEG-OLZOCXBDSA-N 1 1 317.311 2.882 20 5 DFBDMO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000584124106 430462646 /nfs/dbraw/zinc/46/26/46/430462646.db2.gz UBEQVMSQGLDSEA-MEBBXXQBSA-N 1 1 300.362 2.834 20 5 DFBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000547798827 430423692 /nfs/dbraw/zinc/42/36/92/430423692.db2.gz JAHZYZLCARNKJR-OAHLLOKOSA-N 1 1 305.378 2.541 20 5 DFBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccccc1[N+](=O)[O-] ZINC000547798510 430424215 /nfs/dbraw/zinc/42/42/15/430424215.db2.gz TUFDWAAZEVHACX-ZDUSSCGKSA-N 1 1 305.378 2.541 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000549581155 430528969 /nfs/dbraw/zinc/52/89/69/430528969.db2.gz MTQVUVLRIJMATQ-WOSRLPQWSA-N 1 1 319.405 2.770 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1NCc1c[nH+]c2n1CCCC2 ZINC000553594231 430620401 /nfs/dbraw/zinc/62/04/01/430620401.db2.gz IOGSUMANDILQMA-UHFFFAOYSA-N 1 1 307.741 2.788 20 5 DFBDMO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000332053161 277934761 /nfs/dbraw/zinc/93/47/61/277934761.db2.gz YIZQBRKJERGRFJ-HFBAOOFYSA-N 1 1 303.406 2.905 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000331593819 278032937 /nfs/dbraw/zinc/03/29/37/278032937.db2.gz YESQJILVRIOHPN-ZDUSSCGKSA-N 1 1 317.389 2.685 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000572464393 430687738 /nfs/dbraw/zinc/68/77/38/430687738.db2.gz WZOAMRMLVCBEKC-UHFFFAOYSA-N 1 1 318.421 2.873 20 5 DFBDMO CC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267546115 278246592 /nfs/dbraw/zinc/24/65/92/278246592.db2.gz CSNACRYOKSYECW-FZMZJTMJSA-N 1 1 305.378 2.574 20 5 DFBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284013098 280153238 /nfs/dbraw/zinc/15/32/38/280153238.db2.gz HKHPVWYDRFSYDA-OAHLLOKOSA-N 1 1 323.349 2.630 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000361375290 281187560 /nfs/dbraw/zinc/18/75/60/281187560.db2.gz CHJAXRWGKFYSBY-KBPBESRZSA-N 1 1 317.389 2.684 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000266669106 281191241 /nfs/dbraw/zinc/19/12/41/281191241.db2.gz ONNBDJRSIMFYGV-UONOGXRCSA-N 1 1 317.389 2.602 20 5 DFBDMO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271641231 282001017 /nfs/dbraw/zinc/00/10/17/282001017.db2.gz RMUJAWNKIYPGMQ-NWDGAFQWSA-N 1 1 307.394 2.939 20 5 DFBDMO COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000153758461 289058729 /nfs/dbraw/zinc/05/87/29/289058729.db2.gz PTEQQDPDZZIVEI-AWEZNQCLSA-N 1 1 309.410 2.522 20 5 DFBDMO COCCN(C)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000153758461 289058736 /nfs/dbraw/zinc/05/87/36/289058736.db2.gz PTEQQDPDZZIVEI-AWEZNQCLSA-N 1 1 309.410 2.522 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC[C@H]2c2cccs2)n1 ZINC000363361359 289083385 /nfs/dbraw/zinc/08/33/85/289083385.db2.gz RWVVZYMYGHLYLH-NSHDSACASA-N 1 1 324.431 2.643 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCSC[C@H]2c2cccs2)n1 ZINC000363361359 289083388 /nfs/dbraw/zinc/08/33/88/289083388.db2.gz RWVVZYMYGHLYLH-NSHDSACASA-N 1 1 324.431 2.643 20 5 DFBDMO Cc1c(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363407276 289089041 /nfs/dbraw/zinc/08/90/41/289089041.db2.gz VNXSSWZVGVSKHO-QWHCGFSZSA-N 1 1 318.377 2.652 20 5 DFBDMO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000363414797 289092073 /nfs/dbraw/zinc/09/20/73/289092073.db2.gz RPEPYALUFCZZRG-OIISXLGYSA-N 1 1 301.390 2.511 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000438951724 297108273 /nfs/dbraw/zinc/10/82/73/297108273.db2.gz UEOZFJGXHNTYHO-UHFFFAOYSA-N 1 1 319.405 2.884 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000438951724 297108274 /nfs/dbraw/zinc/10/82/74/297108274.db2.gz UEOZFJGXHNTYHO-UHFFFAOYSA-N 1 1 319.405 2.884 20 5 DFBDMO COc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000441172015 297174129 /nfs/dbraw/zinc/17/41/29/297174129.db2.gz GYTINSBBOZJEAI-BETUJISGSA-N 1 1 308.378 2.960 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441237305 297176887 /nfs/dbraw/zinc/17/68/87/297176887.db2.gz RYZJITOSPJNVGS-GJZGRUSLSA-N 1 1 320.389 2.722 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441293816 297179397 /nfs/dbraw/zinc/17/93/97/297179397.db2.gz MVLNKMINPAIQFZ-HOTGVXAUSA-N 1 1 304.390 2.886 20 5 DFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444775366 297250643 /nfs/dbraw/zinc/25/06/43/297250643.db2.gz ICOBVNJEPWOIER-MRXNPFEDSA-N 1 1 318.377 2.598 20 5 DFBDMO CCC[N@H+](C)Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000445229476 297260765 /nfs/dbraw/zinc/26/07/65/297260765.db2.gz TXJKBEHOFJCOMN-UHFFFAOYSA-N 1 1 304.350 2.719 20 5 DFBDMO CCC[N@@H+](C)Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000445229476 297260767 /nfs/dbraw/zinc/26/07/67/297260767.db2.gz TXJKBEHOFJCOMN-UHFFFAOYSA-N 1 1 304.350 2.719 20 5 DFBDMO CCOCC[N@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1CC ZINC000447049593 297293154 /nfs/dbraw/zinc/29/31/54/297293154.db2.gz VTMCUOOFBNPOBN-HNNXBMFYSA-N 1 1 321.421 2.840 20 5 DFBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000447897191 297324627 /nfs/dbraw/zinc/32/46/27/297324627.db2.gz LNTCKHJWNQZBSC-OAHLLOKOSA-N 1 1 309.385 2.944 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000447897191 297324629 /nfs/dbraw/zinc/32/46/29/297324629.db2.gz LNTCKHJWNQZBSC-OAHLLOKOSA-N 1 1 309.385 2.944 20 5 DFBDMO CC1(C)CCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454362728 298162775 /nfs/dbraw/zinc/16/27/75/298162775.db2.gz XKNMIAXKGRSIHE-UHFFFAOYSA-N 1 1 324.356 2.730 20 5 DFBDMO CC[N@@H+](CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000454474991 298180363 /nfs/dbraw/zinc/18/03/63/298180363.db2.gz ZZJXGQRPUTUJRU-ZDUSSCGKSA-N 1 1 322.409 2.685 20 5 DFBDMO COC(=O)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000505791489 300228101 /nfs/dbraw/zinc/22/81/01/300228101.db2.gz VUGQSFPANYNVBO-UHFFFAOYSA-N 1 1 312.341 2.755 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116281024 300315636 /nfs/dbraw/zinc/31/56/36/300315636.db2.gz HZVKJCZOUKDXDV-SMDDNHRTSA-N 1 1 309.797 2.917 20 5 DFBDMO COC(C)(C)C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000531829002 301113242 /nfs/dbraw/zinc/11/32/42/301113242.db2.gz CINQPOIXZMIZOL-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO COC(C)(C)C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000531829002 301113244 /nfs/dbraw/zinc/11/32/44/301113244.db2.gz CINQPOIXZMIZOL-UHFFFAOYSA-N 1 1 320.349 2.502 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000532246609 301139391 /nfs/dbraw/zinc/13/93/91/301139391.db2.gz XKDWHAAZUGQIIL-WCQYABFASA-N 1 1 300.362 2.834 20 5 DFBDMO C[N@H+]1CCCC[C@@H]1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249155 301251429 /nfs/dbraw/zinc/25/14/29/301251429.db2.gz XXCYPBJNMMLSQQ-OAHLLOKOSA-N 1 1 303.406 2.827 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])[C@H]2C1 ZINC000540903917 301374005 /nfs/dbraw/zinc/37/40/05/301374005.db2.gz JSMKRSLGEQBLEY-LRDDRELGSA-N 1 1 312.373 2.673 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000551990356 301674371 /nfs/dbraw/zinc/67/43/71/301674371.db2.gz BXNXPLJNYYTXSN-UHFFFAOYSA-N 1 1 324.283 2.747 20 5 DFBDMO C[C@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000564459157 302136365 /nfs/dbraw/zinc/13/63/65/302136365.db2.gz ODIJSPMXSCZLKD-ZBEGNZNMSA-N 1 1 304.321 2.946 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CCO)c1ccco1 ZINC000565216563 302208142 /nfs/dbraw/zinc/20/81/42/302208142.db2.gz OQVMYUDHVBYILE-KBPBESRZSA-N 1 1 302.330 2.888 20 5 DFBDMO CCCC[C@@H](C)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565510915 302228152 /nfs/dbraw/zinc/22/81/52/302228152.db2.gz WOVSPJCWNDHXAK-HIFRSBDPSA-N 1 1 310.394 2.845 20 5 DFBDMO CCCC[C@H](C)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565510905 302228164 /nfs/dbraw/zinc/22/81/64/302228164.db2.gz WOVSPJCWNDHXAK-DZGCQCFKSA-N 1 1 310.394 2.845 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(CC[NH3+])CC1 ZINC000566317405 302278977 /nfs/dbraw/zinc/27/89/77/302278977.db2.gz NLKVYIOAGZWJRT-UHFFFAOYSA-N 1 1 307.394 2.554 20 5 DFBDMO CC(C)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181892940 316077272 /nfs/dbraw/zinc/07/72/72/316077272.db2.gz XKZKVBRPLVYRRU-LSDHHAIUSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000421771233 316763017 /nfs/dbraw/zinc/76/30/17/316763017.db2.gz LQTMPQBHQRETDE-UHFFFAOYSA-N 1 1 317.389 2.522 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451427932 317109388 /nfs/dbraw/zinc/10/93/88/317109388.db2.gz VZYMWLGMLPMSHE-ZACQAIPSSA-N 1 1 320.389 2.599 20 5 DFBDMO C[C@H]1COC(C)(C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000488197627 317375280 /nfs/dbraw/zinc/37/52/80/317375280.db2.gz IGVILHVKAYDBPP-ZDUSSCGKSA-N 1 1 308.378 2.863 20 5 DFBDMO Cc1cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000577186619 318176668 /nfs/dbraw/zinc/17/66/68/318176668.db2.gz RFVRYAKRRZMHMO-PXAZEXFGSA-N 1 1 312.373 2.592 20 5 DFBDMO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000577186619 318176669 /nfs/dbraw/zinc/17/66/69/318176669.db2.gz RFVRYAKRRZMHMO-PXAZEXFGSA-N 1 1 312.373 2.592 20 5 DFBDMO Cc1cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000577186619 318176671 /nfs/dbraw/zinc/17/66/71/318176671.db2.gz RFVRYAKRRZMHMO-PXAZEXFGSA-N 1 1 312.373 2.592 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000578083211 318236868 /nfs/dbraw/zinc/23/68/68/318236868.db2.gz OXPQNFJEJOMQGS-ZDUSSCGKSA-N 1 1 319.405 2.914 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1N[C@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000579116109 318308183 /nfs/dbraw/zinc/30/81/83/318308183.db2.gz GPIGNTZEPDSGGN-NSHDSACASA-N 1 1 313.361 2.561 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1N[C@H]1CCc3[nH]c[nH+]c3C1)CCCC2 ZINC000579116109 318308185 /nfs/dbraw/zinc/30/81/85/318308185.db2.gz GPIGNTZEPDSGGN-NSHDSACASA-N 1 1 313.361 2.561 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])cc1F ZINC000292673140 533824024 /nfs/dbraw/zinc/82/40/24/533824024.db2.gz JFHLAGVESDHDBZ-HNNXBMFYSA-N 1 1 324.352 2.622 20 5 DFBDMO CC(C)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000364232675 519721343 /nfs/dbraw/zinc/72/13/43/519721343.db2.gz YHGMPZCTMYSRIV-UHFFFAOYSA-N 1 1 323.368 2.538 20 5 DFBDMO Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000309921847 534495807 /nfs/dbraw/zinc/49/58/07/534495807.db2.gz WEJUCQCLFXKABL-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DFBDMO Cc1c(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000365997724 525701556 /nfs/dbraw/zinc/70/15/56/525701556.db2.gz CBBDMOASLPFQNW-AWEZNQCLSA-N 1 1 314.389 2.794 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000296668094 534883851 /nfs/dbraw/zinc/88/38/51/534883851.db2.gz ZCENAUPZIYXXNG-OCCSQVGLSA-N 1 1 301.350 2.510 20 5 DFBDMO C[C@H](c1cccnc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019655 526134908 /nfs/dbraw/zinc/13/49/08/526134908.db2.gz ZETBJBSRMGFHQX-TZMCWYRMSA-N 1 1 301.350 2.584 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000330866185 526673509 /nfs/dbraw/zinc/67/35/09/526673509.db2.gz RSTKRPLFMDQRJX-HIFRSBDPSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000330866185 526673512 /nfs/dbraw/zinc/67/35/12/526673512.db2.gz RSTKRPLFMDQRJX-HIFRSBDPSA-N 1 1 310.369 2.963 20 5 DFBDMO CC(C)(C)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000331335354 526677998 /nfs/dbraw/zinc/67/79/98/526677998.db2.gz UMSCYANDOZMMGL-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)(C)[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000331335354 526678003 /nfs/dbraw/zinc/67/80/03/526678003.db2.gz UMSCYANDOZMMGL-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330716365 526732480 /nfs/dbraw/zinc/73/24/80/526732480.db2.gz UHBDLHQVZZYKIY-DZGCQCFKSA-N 1 1 322.405 2.703 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000365934238 527489297 /nfs/dbraw/zinc/48/92/97/527489297.db2.gz NDLPWMMVAINTDI-UHFFFAOYSA-N 1 1 318.352 2.847 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873530 527756200 /nfs/dbraw/zinc/75/62/00/527756200.db2.gz SJDALFMOOGBSNN-DZGCQCFKSA-N 1 1 321.421 2.908 20 5 DFBDMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000299441137 527894834 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Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)CC(C)C ZINC000593207063 398571601 /nfs/dbraw/zinc/57/16/01/398571601.db2.gz XRIIXHIGKMBFIL-UHFFFAOYSA-N 1 1 321.421 2.919 20 5 DFBDMO CN1CC(C[N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597202775 398589053 /nfs/dbraw/zinc/58/90/53/398589053.db2.gz JDPGAELCVYKTDH-UHFFFAOYSA-N 1 1 315.373 2.848 20 5 DFBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000092652163 398590098 /nfs/dbraw/zinc/59/00/98/398590098.db2.gz XLMGMIKCFHARIG-SNVBAGLBSA-N 1 1 315.320 2.950 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)o2)cc1 ZINC000597211189 398592200 /nfs/dbraw/zinc/59/22/00/398592200.db2.gz LEXXEHLOYWDFGS-SUMWQHHRSA-N 1 1 314.341 2.812 20 5 DFBDMO CCc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000414436957 295801023 /nfs/dbraw/zinc/80/10/23/295801023.db2.gz SXLOPXYSQDVFCB-UHFFFAOYSA-N 1 1 306.753 2.890 20 5 DFBDMO CNC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000597249453 398607490 /nfs/dbraw/zinc/60/74/90/398607490.db2.gz JERLGJYWGJGNEC-UHFFFAOYSA-N 1 1 319.386 2.501 20 5 DFBDMO CNC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000597249453 398607491 /nfs/dbraw/zinc/60/74/91/398607491.db2.gz JERLGJYWGJGNEC-UHFFFAOYSA-N 1 1 319.386 2.501 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000171057435 197871650 /nfs/dbraw/zinc/87/16/50/197871650.db2.gz HKSCPXAKCXZFEV-UHFFFAOYSA-N 1 1 309.366 2.662 20 5 DFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000072697652 398630819 /nfs/dbraw/zinc/63/08/19/398630819.db2.gz NAFVMPOYIMBZKB-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093343093 398631929 /nfs/dbraw/zinc/63/19/29/398631929.db2.gz KVBPCNBRWLEKLA-DOMZBBRYSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093343093 398631934 /nfs/dbraw/zinc/63/19/34/398631934.db2.gz KVBPCNBRWLEKLA-DOMZBBRYSA-N 1 1 308.378 2.585 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171449582 186161895 /nfs/dbraw/zinc/16/18/95/186161895.db2.gz DYGUYZFZTIGKRN-SWLSCSKDSA-N 1 1 305.378 2.646 20 5 DFBDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000177857178 186194486 /nfs/dbraw/zinc/19/44/86/186194486.db2.gz IPTJWWXQBNEGKZ-GFCCVEGCSA-N 1 1 323.393 2.910 20 5 DFBDMO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093659880 398642161 /nfs/dbraw/zinc/64/21/61/398642161.db2.gz RCWJIYGVFGQNTQ-CQSZACIVSA-N 1 1 307.394 2.607 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093659880 398642164 /nfs/dbraw/zinc/64/21/64/398642164.db2.gz RCWJIYGVFGQNTQ-CQSZACIVSA-N 1 1 307.394 2.607 20 5 DFBDMO COc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000265985627 186349241 /nfs/dbraw/zinc/34/92/41/186349241.db2.gz CYOJVBJYXSAGPP-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000590693387 398652696 /nfs/dbraw/zinc/65/26/96/398652696.db2.gz URBFFDOZKSGWDV-BXUZGUMPSA-N 1 1 300.362 2.895 20 5 DFBDMO CCc1nn(C)c(NCCCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000094136771 398654425 /nfs/dbraw/zinc/65/44/25/398654425.db2.gz GGKTUXOHOWCJGJ-CYBMUJFWSA-N 1 1 323.441 2.815 20 5 DFBDMO Cc1cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000590720090 398658144 /nfs/dbraw/zinc/65/81/44/398658144.db2.gz BGYUGEJQDIXZSR-WBMJQRKESA-N 1 1 312.373 2.592 20 5 DFBDMO COc1ccc(-c2ccc(CNC[C@H](C)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414870276 295828486 /nfs/dbraw/zinc/82/84/86/295828486.db2.gz BXYZCMCZRZWSKH-LLVKDONJSA-N 1 1 319.361 2.548 20 5 DFBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC(C)(C)C1 ZINC000459749282 299181454 /nfs/dbraw/zinc/18/14/54/299181454.db2.gz YJYJCONMGHFYQN-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@H](CCO)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593694987 398672096 /nfs/dbraw/zinc/67/20/96/398672096.db2.gz VQQFWGQTXYIMIF-LLVKDONJSA-N 1 1 321.402 2.921 20 5 DFBDMO C[C@H](CCO)[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593694987 398672099 /nfs/dbraw/zinc/67/20/99/398672099.db2.gz VQQFWGQTXYIMIF-LLVKDONJSA-N 1 1 321.402 2.921 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000172839884 198156788 /nfs/dbraw/zinc/15/67/88/198156788.db2.gz UWXGPXFTDITKAR-AWEZNQCLSA-N 1 1 319.405 2.850 20 5 DFBDMO Cc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000172839203 198156817 /nfs/dbraw/zinc/15/68/17/198156817.db2.gz DEESFYHXQZONHK-OAHLLOKOSA-N 1 1 319.405 2.850 20 5 DFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172947168 198169399 /nfs/dbraw/zinc/16/93/99/198169399.db2.gz MWERGSAAMTZIMA-SDDRHHMPSA-N 1 1 303.362 2.510 20 5 DFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072976476 191262012 /nfs/dbraw/zinc/26/20/12/191262012.db2.gz XNNFPBSZQGFPMU-CQSZACIVSA-N 1 1 308.378 2.852 20 5 DFBDMO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCc2sccc2C1 ZINC000073588003 398689234 /nfs/dbraw/zinc/68/92/34/398689234.db2.gz YZUCZPFCDKJFIC-LLVKDONJSA-N 1 1 318.402 2.910 20 5 DFBDMO CC[NH+]1CCN(C[C@H](C)CNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000277123008 213307544 /nfs/dbraw/zinc/30/75/44/213307544.db2.gz OMFBQUWUJZUAQL-CQSZACIVSA-N 1 1 320.437 2.589 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174363151 198325559 /nfs/dbraw/zinc/32/55/59/198325559.db2.gz VFSHIQHJJIQCPU-DOMZBBRYSA-N 1 1 320.393 2.789 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597859208 398706122 /nfs/dbraw/zinc/70/61/22/398706122.db2.gz BATQVJRYBUJOFN-ZDUSSCGKSA-N 1 1 319.405 2.753 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597861389 398706456 /nfs/dbraw/zinc/70/64/56/398706456.db2.gz SZSGIIPWGLSTRL-LLVKDONJSA-N 1 1 323.368 2.584 20 5 DFBDMO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@H+]1CCc2sccc2C1 ZINC000046479127 398708000 /nfs/dbraw/zinc/70/80/00/398708000.db2.gz PJKNQCZRQAOKQE-LLVKDONJSA-N 1 1 318.402 2.910 20 5 DFBDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862108 198393841 /nfs/dbraw/zinc/39/38/41/198393841.db2.gz IYMSYYKEXGIVCU-QGZVFWFLSA-N 1 1 314.389 2.845 20 5 DFBDMO Cc1c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000046859296 398721779 /nfs/dbraw/zinc/72/17/79/398721779.db2.gz BVVKBMXMHZZOFQ-GFCCVEGCSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000591149422 398732626 /nfs/dbraw/zinc/73/26/26/398732626.db2.gz ZLVFUQJWZLUTRB-NEPJUHHUSA-N 1 1 308.357 2.582 20 5 DFBDMO C[C@@H](O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000594061085 398735363 /nfs/dbraw/zinc/73/53/63/398735363.db2.gz BKXLXGOXPFWDLL-SECBINFHSA-N 1 1 318.295 2.959 20 5 DFBDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000047119438 398737244 /nfs/dbraw/zinc/73/72/44/398737244.db2.gz RKNUPMQZUYPYKK-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598038196 398741869 /nfs/dbraw/zinc/74/18/69/398741869.db2.gz AIGXKZIQWHCITP-BBRMVZONSA-N 1 1 319.405 2.641 20 5 DFBDMO CCc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000598041228 398741975 /nfs/dbraw/zinc/74/19/75/398741975.db2.gz RYLYKDJAMZETQK-OAHLLOKOSA-N 1 1 319.405 2.714 20 5 DFBDMO Cc1sc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594201005 398764153 /nfs/dbraw/zinc/76/41/53/398764153.db2.gz MGRISQJINMCNFH-RYUDHWBXSA-N 1 1 323.418 2.711 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594202868 398764752 /nfs/dbraw/zinc/76/47/52/398764752.db2.gz UEWLRVUPDBGSKI-CVEARBPZSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594202785 398764841 /nfs/dbraw/zinc/76/48/41/398764841.db2.gz RTGGECFYJDPIGS-ZIAGYGMSSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594201740 398765123 /nfs/dbraw/zinc/76/51/23/398765123.db2.gz QOLURUQUJMGYMC-HOCLYGCPSA-N 1 1 317.389 2.650 20 5 DFBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000047966193 398765923 /nfs/dbraw/zinc/76/59/23/398765923.db2.gz DEDUZJHOZOFGAB-HNNXBMFYSA-N 1 1 308.378 2.599 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000135279875 283213919 /nfs/dbraw/zinc/21/39/19/283213919.db2.gz SIAWVVKBOHTVPQ-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902514 213163281 /nfs/dbraw/zinc/16/32/81/213163281.db2.gz MAGTUFKWVAETPQ-DZGCQCFKSA-N 1 1 321.421 2.908 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000276899272 213162716 /nfs/dbraw/zinc/16/27/16/213162716.db2.gz LOEMZNZSRIISAS-ZFWWWQNUSA-N 1 1 308.378 2.586 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594494924 398809586 /nfs/dbraw/zinc/80/95/86/398809586.db2.gz LLHFRDYQAFQZCA-CJNGLKHVSA-N 1 1 301.390 2.656 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594494924 398809587 /nfs/dbraw/zinc/80/95/87/398809587.db2.gz LLHFRDYQAFQZCA-CJNGLKHVSA-N 1 1 301.390 2.656 20 5 DFBDMO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075679635 398817113 /nfs/dbraw/zinc/81/71/13/398817113.db2.gz ZQJUUEJFPKCJHE-UONOGXRCSA-N 1 1 319.405 2.892 20 5 DFBDMO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075679635 398817114 /nfs/dbraw/zinc/81/71/14/398817114.db2.gz ZQJUUEJFPKCJHE-UONOGXRCSA-N 1 1 319.405 2.892 20 5 DFBDMO COC(=O)c1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000594614184 398834169 /nfs/dbraw/zinc/83/41/69/398834169.db2.gz KXUOCGUGUCCZLK-UHFFFAOYSA-N 1 1 318.329 2.881 20 5 DFBDMO CC(C)[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075961148 398830840 /nfs/dbraw/zinc/83/08/40/398830840.db2.gz YYACLURLFGQCHK-UHFFFAOYSA-N 1 1 306.366 2.543 20 5 DFBDMO Cc1nn(C)c(NCCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000076354116 398852517 /nfs/dbraw/zinc/85/25/17/398852517.db2.gz ZXBWAQWFJWDBOA-UHFFFAOYSA-N 1 1 309.414 2.703 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000180341751 199147661 /nfs/dbraw/zinc/14/76/61/199147661.db2.gz OUEIZDXXFPKIDZ-AWEZNQCLSA-N 1 1 319.405 2.734 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000076691215 398865391 /nfs/dbraw/zinc/86/53/91/398865391.db2.gz HXLPYDMPEHSQNM-CQSZACIVSA-N 1 1 312.373 2.701 20 5 DFBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cc1[N+](=O)[O-] ZINC000153055762 283350870 /nfs/dbraw/zinc/35/08/70/283350870.db2.gz DDZXWONEGPOAPZ-WBMJQRKESA-N 1 1 321.421 2.984 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000053361026 398869980 /nfs/dbraw/zinc/86/99/80/398869980.db2.gz BMSPYDRQHVFUJJ-UHFFFAOYSA-N 1 1 309.366 2.520 20 5 DFBDMO Cc1c(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000180604989 199182872 /nfs/dbraw/zinc/18/28/72/199182872.db2.gz XCKPHCQYISDPLH-HNNXBMFYSA-N 1 1 320.393 2.707 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)C ZINC000140422677 398890422 /nfs/dbraw/zinc/89/04/22/398890422.db2.gz ZUPAZTVXMQNSIF-CYBMUJFWSA-N 1 1 305.378 2.962 20 5 DFBDMO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)ccn1 ZINC000595007447 398889989 /nfs/dbraw/zinc/88/99/89/398889989.db2.gz NKHRFKDBZPHZBY-LLVKDONJSA-N 1 1 317.345 2.858 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000595014787 398891780 /nfs/dbraw/zinc/89/17/80/398891780.db2.gz IERHAOOIGROEOB-LRDDRELGSA-N 1 1 316.357 2.988 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1cc(C)[nH]n1 ZINC000595023900 398894379 /nfs/dbraw/zinc/89/43/79/398894379.db2.gz ZIWBHEGTHITVFP-CMPLNLGQSA-N 1 1 318.377 2.917 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595030736 398894761 /nfs/dbraw/zinc/89/47/61/398894761.db2.gz VDQWNEGAPKINIA-SLEUVZQESA-N 1 1 307.394 2.594 20 5 DFBDMO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595030736 398894766 /nfs/dbraw/zinc/89/47/66/398894766.db2.gz VDQWNEGAPKINIA-SLEUVZQESA-N 1 1 307.394 2.594 20 5 DFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@H+]1CCc2n[nH]cc2C1 ZINC000598940104 398895024 /nfs/dbraw/zinc/89/50/24/398895024.db2.gz LYDGTYZCUNBFSQ-LBPRGKRZSA-N 1 1 300.362 2.697 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000142087093 398896883 /nfs/dbraw/zinc/89/68/83/398896883.db2.gz SOBNWUAHYVZHIQ-GFCCVEGCSA-N 1 1 323.780 2.559 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598964409 398898558 /nfs/dbraw/zinc/89/85/58/398898558.db2.gz VAZULYVKOGRWMG-CYBMUJFWSA-N 1 1 307.394 2.566 20 5 DFBDMO COc1cc(C[NH2+]Cc2cccnc2C)c([N+](=O)[O-])cc1OC ZINC000598995904 398905064 /nfs/dbraw/zinc/90/50/64/398905064.db2.gz JJFMMLOALMUNHC-UHFFFAOYSA-N 1 1 317.345 2.605 20 5 DFBDMO CCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095313 398904603 /nfs/dbraw/zinc/90/46/03/398904603.db2.gz IHYYQJDEVKUTKH-STQMWFEESA-N 1 1 307.394 2.738 20 5 DFBDMO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095313 398904606 /nfs/dbraw/zinc/90/46/06/398904606.db2.gz IHYYQJDEVKUTKH-STQMWFEESA-N 1 1 307.394 2.738 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000470184114 299293006 /nfs/dbraw/zinc/29/30/06/299293006.db2.gz FUWPIMHYQRXKOF-BMQCOBNYSA-N 1 1 317.389 2.728 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000470214782 299293421 /nfs/dbraw/zinc/29/34/21/299293421.db2.gz HDAJPYZMSWWYJX-SCZPIIQISA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000470214782 299293424 /nfs/dbraw/zinc/29/34/24/299293424.db2.gz HDAJPYZMSWWYJX-SCZPIIQISA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000470214782 299293428 /nfs/dbraw/zinc/29/34/28/299293428.db2.gz HDAJPYZMSWWYJX-SCZPIIQISA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000470214782 299293431 /nfs/dbraw/zinc/29/34/31/299293431.db2.gz HDAJPYZMSWWYJX-SCZPIIQISA-N 1 1 303.406 2.882 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CC2)C1 ZINC000186996702 200045353 /nfs/dbraw/zinc/04/53/53/200045353.db2.gz OAHAHYRNISDQAR-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CC2)C1 ZINC000186996702 200045354 /nfs/dbraw/zinc/04/53/54/200045354.db2.gz OAHAHYRNISDQAR-GFCCVEGCSA-N 1 1 303.362 2.798 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000470214781 299293608 /nfs/dbraw/zinc/29/36/08/299293608.db2.gz HDAJPYZMSWWYJX-MBSJSRAVSA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000470214781 299293610 /nfs/dbraw/zinc/29/36/10/299293610.db2.gz HDAJPYZMSWWYJX-MBSJSRAVSA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H]1CCN(C)C1 ZINC000470214781 299293614 /nfs/dbraw/zinc/29/36/14/299293614.db2.gz HDAJPYZMSWWYJX-MBSJSRAVSA-N 1 1 303.406 2.882 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCN(C)C1 ZINC000470214781 299293616 /nfs/dbraw/zinc/29/36/16/299293616.db2.gz HDAJPYZMSWWYJX-MBSJSRAVSA-N 1 1 303.406 2.882 20 5 DFBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000599022410 398909103 /nfs/dbraw/zinc/90/91/03/398909103.db2.gz MOKPDIJSBFKDSF-CQSZACIVSA-N 1 1 312.373 2.818 20 5 DFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)Cc1ccsc1 ZINC000187794373 200157160 /nfs/dbraw/zinc/15/71/60/200157160.db2.gz ITKUMRNJKCJAHY-LBPRGKRZSA-N 1 1 308.407 2.806 20 5 DFBDMO Cc1cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000147913429 398914020 /nfs/dbraw/zinc/91/40/20/398914020.db2.gz SZDQUDUFJCFQHU-UONOGXRCSA-N 1 1 319.405 2.896 20 5 DFBDMO CCn1nncc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000599063388 398915522 /nfs/dbraw/zinc/91/55/22/398915522.db2.gz YWKRMHUFOFSERM-HNNXBMFYSA-N 1 1 315.377 2.718 20 5 DFBDMO CCC(F)(F)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599068894 398916632 /nfs/dbraw/zinc/91/66/32/398916632.db2.gz QHURABMUGAOLJZ-JTQLQIEISA-N 1 1 315.320 2.947 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188413315 200242130 /nfs/dbraw/zinc/24/21/30/200242130.db2.gz SQHRINRLFCHJNB-GIZXNFQBSA-N 1 1 312.373 2.969 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281116499 216090411 /nfs/dbraw/zinc/09/04/11/216090411.db2.gz XDJHAAPCXGQHQK-MRXNPFEDSA-N 1 1 313.357 2.781 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599127974 398925254 /nfs/dbraw/zinc/92/52/54/398925254.db2.gz SPBWUCDERQPXCA-AWEZNQCLSA-N 1 1 321.425 2.939 20 5 DFBDMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595342504 398924298 /nfs/dbraw/zinc/92/42/98/398924298.db2.gz LOIWTBXAPXVDSX-OAHLLOKOSA-N 1 1 318.352 2.903 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000595389245 398930836 /nfs/dbraw/zinc/93/08/36/398930836.db2.gz NZZBQZHYJUOWHM-CYBMUJFWSA-N 1 1 308.353 2.982 20 5 DFBDMO Cn1ccnc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313072 296009276 /nfs/dbraw/zinc/00/92/76/296009276.db2.gz OPVKPQABESLRTI-OAHLLOKOSA-N 1 1 300.362 2.886 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595424196 398935498 /nfs/dbraw/zinc/93/54/98/398935498.db2.gz ULKDHIOTESVIJX-CHWSQXEVSA-N 1 1 309.366 2.530 20 5 DFBDMO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595457613 398942240 /nfs/dbraw/zinc/94/22/40/398942240.db2.gz MEZPPHBNHVVCQC-AWEZNQCLSA-N 1 1 319.361 2.581 20 5 DFBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595457613 398942243 /nfs/dbraw/zinc/94/22/43/398942243.db2.gz MEZPPHBNHVVCQC-AWEZNQCLSA-N 1 1 319.361 2.581 20 5 DFBDMO Cc1noc(C[N@H+](C)CCCOCc2ccccc2)c1[N+](=O)[O-] ZINC000595471264 398945981 /nfs/dbraw/zinc/94/59/81/398945981.db2.gz YFRFHDQOFXMREQ-UHFFFAOYSA-N 1 1 319.361 2.930 20 5 DFBDMO Cc1noc(C[N@@H+](C)CCCOCc2ccccc2)c1[N+](=O)[O-] ZINC000595471264 398945982 /nfs/dbraw/zinc/94/59/82/398945982.db2.gz YFRFHDQOFXMREQ-UHFFFAOYSA-N 1 1 319.361 2.930 20 5 DFBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474892 398946577 /nfs/dbraw/zinc/94/65/77/398946577.db2.gz HVMBXPBJHIRVRK-CQSZACIVSA-N 1 1 323.368 2.615 20 5 DFBDMO COc1ccc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000595507450 398952944 /nfs/dbraw/zinc/95/29/44/398952944.db2.gz NLOTUKKYPIEUBT-KRWDZBQOSA-N 1 1 319.405 2.521 20 5 DFBDMO CC[C@H]([NH2+]Cc1cncc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000599354136 398959997 /nfs/dbraw/zinc/95/99/97/398959997.db2.gz MQOHQWFWPYIFES-AWEZNQCLSA-N 1 1 302.334 2.634 20 5 DFBDMO CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1CC ZINC000599367811 398964357 /nfs/dbraw/zinc/96/43/57/398964357.db2.gz NBMOMYNPZDOXDG-CQSZACIVSA-N 1 1 307.394 2.607 20 5 DFBDMO CCN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1CC ZINC000599367811 398964362 /nfs/dbraw/zinc/96/43/62/398964362.db2.gz NBMOMYNPZDOXDG-CQSZACIVSA-N 1 1 307.394 2.607 20 5 DFBDMO CCN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1CC ZINC000599367811 398964365 /nfs/dbraw/zinc/96/43/65/398964365.db2.gz NBMOMYNPZDOXDG-CQSZACIVSA-N 1 1 307.394 2.607 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056503234 398975842 /nfs/dbraw/zinc/97/58/42/398975842.db2.gz OBDVIDQVFOYWIP-QWHCGFSZSA-N 1 1 320.393 2.837 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000281490000 216337822 /nfs/dbraw/zinc/33/78/22/216337822.db2.gz UBCCAGKJICLTJC-UHFFFAOYSA-N 1 1 318.377 2.595 20 5 DFBDMO C[N@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194048468 201170394 /nfs/dbraw/zinc/17/03/94/201170394.db2.gz SUKJDLATMNHKNK-UHFFFAOYSA-N 1 1 322.346 2.634 20 5 DFBDMO C[N@@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194048468 201170398 /nfs/dbraw/zinc/17/03/98/201170398.db2.gz SUKJDLATMNHKNK-UHFFFAOYSA-N 1 1 322.346 2.634 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000194832918 201296706 /nfs/dbraw/zinc/29/67/06/201296706.db2.gz OMGVBZQBFKUSRS-CQSZACIVSA-N 1 1 319.405 2.611 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600207617 399005282 /nfs/dbraw/zinc/00/52/82/399005282.db2.gz MKVSYXDCVLFMLS-OBSPDERQSA-N 1 1 320.414 2.593 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600207617 399005288 /nfs/dbraw/zinc/00/52/88/399005288.db2.gz MKVSYXDCVLFMLS-OBSPDERQSA-N 1 1 320.414 2.593 20 5 DFBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000275526588 212394315 /nfs/dbraw/zinc/39/43/15/212394315.db2.gz WJHZFKPOBUTBOZ-PHIMTYICSA-N 1 1 309.341 2.650 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000275495046 212372356 /nfs/dbraw/zinc/37/23/56/212372356.db2.gz BYXMKILTJTVWIR-LSDHHAIUSA-N 1 1 318.377 2.652 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000475361859 299346749 /nfs/dbraw/zinc/34/67/49/299346749.db2.gz LGAJRMBGMIAAJY-HIINFBLBSA-N 1 1 318.373 2.739 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000618167996 399028899 /nfs/dbraw/zinc/02/88/99/399028899.db2.gz UEHJKGAROACRIQ-CYBMUJFWSA-N 1 1 315.377 2.502 20 5 DFBDMO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595674571 399029122 /nfs/dbraw/zinc/02/91/22/399029122.db2.gz LNPZHPOFNQDFON-MEBBXXQBSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595674571 399029126 /nfs/dbraw/zinc/02/91/26/399029126.db2.gz LNPZHPOFNQDFON-MEBBXXQBSA-N 1 1 314.332 2.856 20 5 DFBDMO COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000595678650 399030735 /nfs/dbraw/zinc/03/07/35/399030735.db2.gz SEBVXQMXZMAMKS-JSGCOSHPSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600312331 399031272 /nfs/dbraw/zinc/03/12/72/399031272.db2.gz FGDOUHPHTYLOTH-KGLIPLIRSA-N 1 1 319.405 2.546 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599633431 399035670 /nfs/dbraw/zinc/03/56/70/399035670.db2.gz LYRSPFJCUZCOES-MACDAGOESA-N 1 1 322.430 2.950 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000091832516 193113766 /nfs/dbraw/zinc/11/37/66/193113766.db2.gz XOCWVFRUOLELBH-CQSZACIVSA-N 1 1 316.361 2.974 20 5 DFBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000091986248 193137125 /nfs/dbraw/zinc/13/71/25/193137125.db2.gz IBXPEAADNAJXNT-LBPRGKRZSA-N 1 1 308.378 2.959 20 5 DFBDMO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cccc1[N+](=O)[O-] ZINC000599641247 399040324 /nfs/dbraw/zinc/04/03/24/399040324.db2.gz LXWVCPIZSMCNPW-OAHLLOKOSA-N 1 1 314.345 2.736 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cccc1[N+](=O)[O-] ZINC000599641247 399040327 /nfs/dbraw/zinc/04/03/27/399040327.db2.gz LXWVCPIZSMCNPW-OAHLLOKOSA-N 1 1 314.345 2.736 20 5 DFBDMO C[C@]12CCCC[C@H]1C[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599675589 399056349 /nfs/dbraw/zinc/05/63/49/399056349.db2.gz SESOEFBLWFUXOP-QRTARXTBSA-N 1 1 320.389 2.599 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600469372 399058915 /nfs/dbraw/zinc/05/89/15/399058915.db2.gz AIMOSKGLASYTPY-OAHLLOKOSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600471218 399059016 /nfs/dbraw/zinc/05/90/16/399059016.db2.gz JVVPVWXIZRWDSN-OAHLLOKOSA-N 1 1 317.389 2.650 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599705071 399071214 /nfs/dbraw/zinc/07/12/14/399071214.db2.gz GVRYHCACOJRDNS-DABQJJPHSA-N 1 1 306.362 2.757 20 5 DFBDMO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271704151 296115704 /nfs/dbraw/zinc/11/57/04/296115704.db2.gz HXRHCAMMPMIRHW-QWHCGFSZSA-N 1 1 305.378 2.504 20 5 DFBDMO C[N@@H+](CCOc1ccccc1)CCOc1cccc([N+](=O)[O-])c1 ZINC000058563582 399086685 /nfs/dbraw/zinc/08/66/85/399086685.db2.gz DPMVROIFDGCOGQ-UHFFFAOYSA-N 1 1 316.357 2.984 20 5 DFBDMO Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000079842803 399089981 /nfs/dbraw/zinc/08/99/81/399089981.db2.gz NBJPSYOJELOZOS-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc(Cn3cc[nH+]c3C3CC3)n2)cc1 ZINC000600610583 399096394 /nfs/dbraw/zinc/09/63/94/399096394.db2.gz IRIDOTLKEJKONJ-UHFFFAOYSA-N 1 1 311.301 2.767 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc[nH+]c1C1CC1 ZINC000600613296 399098089 /nfs/dbraw/zinc/09/80/89/399098089.db2.gz GZTWSOJNUKIGCZ-UHFFFAOYSA-N 1 1 300.318 2.616 20 5 DFBDMO O=[N+]([O-])c1cc(Cn2cc[nH+]c2C2CC2)c2c(c1)COCO2 ZINC000600613353 399098389 /nfs/dbraw/zinc/09/83/89/399098389.db2.gz JCQKFMWZJNNRHY-UHFFFAOYSA-N 1 1 301.302 2.584 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(Cn3cc[nH+]c3C3CC3)o2)cc1 ZINC000600614247 399098987 /nfs/dbraw/zinc/09/89/87/399098987.db2.gz QMVHWTCIINCYTI-UHFFFAOYSA-N 1 1 311.301 2.767 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419376461 296137656 /nfs/dbraw/zinc/13/76/56/296137656.db2.gz TUKRYZJTNHUHIN-RWMBFGLXSA-N 1 1 305.378 2.818 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000595874589 399118636 /nfs/dbraw/zinc/11/86/36/399118636.db2.gz UZUZMWPWCAUMEU-UHFFFAOYSA-N 1 1 309.410 2.813 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479670 193256544 /nfs/dbraw/zinc/25/65/44/193256544.db2.gz FACNGIDUFRPIOA-BZVIRDKQSA-N 1 1 302.374 2.701 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611601 193274865 /nfs/dbraw/zinc/27/48/65/193274865.db2.gz MVHUFCKIOZPZAS-MASHWEEQSA-N 1 1 316.279 2.607 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000093611601 193274866 /nfs/dbraw/zinc/27/48/66/193274866.db2.gz MVHUFCKIOZPZAS-MASHWEEQSA-N 1 1 316.279 2.607 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000093690945 193290261 /nfs/dbraw/zinc/29/02/61/193290261.db2.gz LVKTZBQNDSIVKG-INIZCTEOSA-N 1 1 313.357 2.952 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000595911816 399133870 /nfs/dbraw/zinc/13/38/70/399133870.db2.gz YZLFFSUBCCSJOB-GFCCVEGCSA-N 1 1 305.378 2.820 20 5 DFBDMO C[N@@H+](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000600817951 399154673 /nfs/dbraw/zinc/15/46/73/399154673.db2.gz VKYOIBUHIPHTAN-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO CCOc1cccc(NC[C@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC000420290595 296169974 /nfs/dbraw/zinc/16/99/74/296169974.db2.gz UQNWQXLRUCQSBB-SNVBAGLBSA-N 1 1 315.320 2.650 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000080555648 399158011 /nfs/dbraw/zinc/15/80/11/399158011.db2.gz WBRBMSPPRKEIRV-OKILXGFUSA-N 1 1 307.394 2.814 20 5 DFBDMO C[N@@H+](CCCNc1cc[nH]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596062461 399159802 /nfs/dbraw/zinc/15/98/02/399159802.db2.gz PHCXBFBEWHFXAS-UHFFFAOYSA-N 1 1 316.361 2.629 20 5 DFBDMO Cc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000080599113 399161492 /nfs/dbraw/zinc/16/14/92/399161492.db2.gz ONRBUVQOCBUKHO-UHFFFAOYSA-N 1 1 306.410 2.855 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338952 296177449 /nfs/dbraw/zinc/17/74/49/296177449.db2.gz YKWUYCSHRSJLMU-CHWSQXEVSA-N 1 1 307.369 2.555 20 5 DFBDMO CC[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@H+]1C ZINC000600893923 399167692 /nfs/dbraw/zinc/16/76/92/399167692.db2.gz CUYGGVHVVKRJKN-GXTWGEPZSA-N 1 1 305.378 2.880 20 5 DFBDMO COc1ccnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282479797 217026802 /nfs/dbraw/zinc/02/68/02/217026802.db2.gz OTRFFYGOVPZJAY-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO COc1cc(N(C)C[C@@H]2CC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596113296 399178370 /nfs/dbraw/zinc/17/83/70/399178370.db2.gz TYVGOSAEZIKRRY-SNVBAGLBSA-N 1 1 313.785 2.645 20 5 DFBDMO COc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000614222885 399179410 /nfs/dbraw/zinc/17/94/10/399179410.db2.gz NYCCHAZNYUKSLG-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000198375801 399194394 /nfs/dbraw/zinc/19/43/94/399194394.db2.gz KCSHIAFUHGPPOK-CQSZACIVSA-N 1 1 319.405 2.898 20 5 DFBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000420628575 296193786 /nfs/dbraw/zinc/19/37/86/296193786.db2.gz BCVTXISUKIHUNL-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO CCOc1ccc(NC(=O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000016483632 182047122 /nfs/dbraw/zinc/04/71/22/182047122.db2.gz ACSNNERXSOZYQI-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000266456610 205360741 /nfs/dbraw/zinc/36/07/41/205360741.db2.gz FKNREVNMHVBWAT-HZSPNIEDSA-N 1 1 319.405 2.515 20 5 DFBDMO Cc1cc(C)c(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)c(C)[nH+]1 ZINC000601079884 399220190 /nfs/dbraw/zinc/22/01/90/399220190.db2.gz FTGYAVSCTHGMEO-UHFFFAOYSA-N 1 1 307.737 2.778 20 5 DFBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000064381773 399222359 /nfs/dbraw/zinc/22/23/59/399222359.db2.gz JPRFJDZMKKJFGV-UHFFFAOYSA-N 1 1 319.405 2.787 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000064401591 399223128 /nfs/dbraw/zinc/22/31/28/399223128.db2.gz GQHIOCSEHUDGFQ-UHFFFAOYSA-N 1 1 318.402 2.764 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000064401591 399223131 /nfs/dbraw/zinc/22/31/31/399223131.db2.gz GQHIOCSEHUDGFQ-UHFFFAOYSA-N 1 1 318.402 2.764 20 5 DFBDMO O=[N+]([O-])c1ccc2nccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000601104797 399228124 /nfs/dbraw/zinc/22/81/24/399228124.db2.gz HELIQTWLBLNNLO-CHWSQXEVSA-N 1 1 312.373 2.604 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267346621 205999882 /nfs/dbraw/zinc/99/98/82/205999882.db2.gz LBEAUKVAQIQMFQ-OLZOCXBDSA-N 1 1 323.780 2.605 20 5 DFBDMO CC1(C)[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCO[C@H]21 ZINC000601119541 399232398 /nfs/dbraw/zinc/23/23/98/399232398.db2.gz SXLVADAXOGELBO-IUIKQTSFSA-N 1 1 313.357 2.790 20 5 DFBDMO C[C@H](O)[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601132822 399237519 /nfs/dbraw/zinc/23/75/19/399237519.db2.gz OLEQFCWKFUAKDL-NWDGAFQWSA-N 1 1 301.346 2.740 20 5 DFBDMO CC(C)(CCCO)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601136518 399238288 /nfs/dbraw/zinc/23/82/88/399238288.db2.gz GWXXERMZRMGIFZ-UHFFFAOYSA-N 1 1 303.362 2.776 20 5 DFBDMO C[C@]1(O)CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601158278 399243888 /nfs/dbraw/zinc/24/38/88/399243888.db2.gz QQZGTHHUBFPJIN-INIZCTEOSA-N 1 1 301.346 2.884 20 5 DFBDMO C[C@@H]1[C@@H](CO)CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601175432 399248733 /nfs/dbraw/zinc/24/87/33/399248733.db2.gz ODSXKNUMRJMESQ-VXGBXAGGSA-N 1 1 301.346 2.740 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H]4CC[C@H](O)C[C@H]4C3)c2c1 ZINC000601177174 399249373 /nfs/dbraw/zinc/24/93/73/399249373.db2.gz WISCXIJDJDBYNW-OBJOEFQTSA-N 1 1 313.357 2.740 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](CCO)CC3)nc2c1 ZINC000421020358 296226747 /nfs/dbraw/zinc/22/67/47/296226747.db2.gz QZMUMFPXWFPVFA-LBPRGKRZSA-N 1 1 319.361 2.721 20 5 DFBDMO CN(c1cc[nH+]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCC[C@H]1O ZINC000601212323 399256349 /nfs/dbraw/zinc/25/63/49/399256349.db2.gz ZPIOVWFUQVAYKO-HZPDHXFCSA-N 1 1 301.346 2.883 20 5 DFBDMO C[C@H]1C[C@@H](CO)CCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601269502 399267522 /nfs/dbraw/zinc/26/75/22/399267522.db2.gz GNDHCQWCDOAFMC-RYUDHWBXSA-N 1 1 301.346 2.740 20 5 DFBDMO CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000601281667 399269557 /nfs/dbraw/zinc/26/95/57/399269557.db2.gz SGZPCCDXZYRJMG-VHDGCEQUSA-N 1 1 319.405 2.811 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000421435855 296255125 /nfs/dbraw/zinc/25/51/25/296255125.db2.gz QCQVENXREBENGU-HUUCEWRRSA-N 1 1 317.389 2.568 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000421486674 296259530 /nfs/dbraw/zinc/25/95/30/296259530.db2.gz YNBNYCATKQMQNM-INIZCTEOSA-N 1 1 319.405 2.624 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000421486674 296259531 /nfs/dbraw/zinc/25/95/31/296259531.db2.gz YNBNYCATKQMQNM-INIZCTEOSA-N 1 1 319.405 2.624 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000421497782 296260800 /nfs/dbraw/zinc/26/08/00/296260800.db2.gz RFFKFEFXXVHDDE-KBPBESRZSA-N 1 1 319.405 2.766 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000421513437 296261977 /nfs/dbraw/zinc/26/19/77/296261977.db2.gz FFSNHNMCDARMFQ-ZFWWWQNUSA-N 1 1 319.405 2.670 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cccc1[N+](=O)[O-] ZINC000609157294 399307338 /nfs/dbraw/zinc/30/73/38/399307338.db2.gz BJIMWVQNTUKKJU-OAHLLOKOSA-N 1 1 300.362 2.937 20 5 DFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619178974 399308405 /nfs/dbraw/zinc/30/84/05/399308405.db2.gz BCUZSRRLEITHOV-NWDGAFQWSA-N 1 1 319.361 2.861 20 5 DFBDMO COc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000051854317 425883517 /nfs/dbraw/zinc/88/35/17/425883517.db2.gz PAOFDXAQEIIYJH-ZDUSSCGKSA-N 1 1 306.362 2.604 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284869873 218214279 /nfs/dbraw/zinc/21/42/79/218214279.db2.gz SLRLUSZLPMXLNA-CVEARBPZSA-N 1 1 306.362 2.617 20 5 DFBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000610451997 399369457 /nfs/dbraw/zinc/36/94/57/399369457.db2.gz TZLZSTCWOLPJLU-GFCCVEGCSA-N 1 1 318.352 2.532 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000610476360 399371057 /nfs/dbraw/zinc/37/10/57/399371057.db2.gz WFDXWCCJACOXHY-GFCCVEGCSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000610476360 399371060 /nfs/dbraw/zinc/37/10/60/399371060.db2.gz WFDXWCCJACOXHY-GFCCVEGCSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601973609 399372336 /nfs/dbraw/zinc/37/23/36/399372336.db2.gz RITNCSWQPUVQDW-ZDUSSCGKSA-N 1 1 300.305 2.759 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601973609 399372338 /nfs/dbraw/zinc/37/23/38/399372338.db2.gz RITNCSWQPUVQDW-ZDUSSCGKSA-N 1 1 300.305 2.759 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601969906 399371496 /nfs/dbraw/zinc/37/14/96/399371496.db2.gz MPLMSPPYDFJNJK-WFASDCNBSA-N 1 1 305.378 2.599 20 5 DFBDMO CO[C@H](C)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000610582648 399382142 /nfs/dbraw/zinc/38/21/42/399382142.db2.gz HSRZTMOAMDJDLU-LLVKDONJSA-N 1 1 307.350 2.981 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285134223 218304323 /nfs/dbraw/zinc/30/43/23/218304323.db2.gz AKUICSVNCGFOHU-QWRGUYRKSA-N 1 1 314.332 2.998 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285134223 218304325 /nfs/dbraw/zinc/30/43/25/218304325.db2.gz AKUICSVNCGFOHU-QWRGUYRKSA-N 1 1 314.332 2.998 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@H]4CCC[C@@H]43)o2)cc1 ZINC000610585641 399383410 /nfs/dbraw/zinc/38/34/10/399383410.db2.gz YLZISRDEVKAEKJ-YPMHNXCESA-N 1 1 300.318 2.629 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@H]4CCC[C@@H]43)o2)cc1 ZINC000610585641 399383413 /nfs/dbraw/zinc/38/34/13/399383413.db2.gz YLZISRDEVKAEKJ-YPMHNXCESA-N 1 1 300.318 2.629 20 5 DFBDMO CC[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000288598213 220274340 /nfs/dbraw/zinc/27/43/40/220274340.db2.gz WEAAJKPCQDOLHK-LLVKDONJSA-N 1 1 317.345 2.507 20 5 DFBDMO CC[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000288598213 220274342 /nfs/dbraw/zinc/27/43/42/220274342.db2.gz WEAAJKPCQDOLHK-LLVKDONJSA-N 1 1 317.345 2.507 20 5 DFBDMO CCc1ccc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000610700065 399395485 /nfs/dbraw/zinc/39/54/85/399395485.db2.gz BDNBZWGCQSKFDO-UHFFFAOYSA-N 1 1 302.378 2.794 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOC(C)(C)C ZINC000610859724 399413050 /nfs/dbraw/zinc/41/30/50/399413050.db2.gz JZYCTBKJFUUARL-LBPRGKRZSA-N 1 1 323.393 2.669 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOC(C)(C)C ZINC000610859724 399413052 /nfs/dbraw/zinc/41/30/52/399413052.db2.gz JZYCTBKJFUUARL-LBPRGKRZSA-N 1 1 323.393 2.669 20 5 DFBDMO C[C@@H]1C[N@H+](CCCCNc2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000610864608 399413679 /nfs/dbraw/zinc/41/36/79/399413679.db2.gz MPNNNSAJYQLQRS-TXEJJXNPSA-N 1 1 313.423 2.958 20 5 DFBDMO Cc1[nH+]ccn1[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000610929361 399419185 /nfs/dbraw/zinc/41/91/85/399419185.db2.gz GIOGPWQVUOWJOU-LBPRGKRZSA-N 1 1 321.768 2.990 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)c([N+](=O)[O-])n1 ZINC000602438509 399444096 /nfs/dbraw/zinc/44/40/96/399444096.db2.gz CMFMKNZROWPXAJ-MRXNPFEDSA-N 1 1 314.389 2.926 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000602427820 399441589 /nfs/dbraw/zinc/44/15/89/399441589.db2.gz CPXPZORLULQQMC-LLVKDONJSA-N 1 1 304.268 2.570 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000602427820 399441590 /nfs/dbraw/zinc/44/15/90/399441590.db2.gz CPXPZORLULQQMC-LLVKDONJSA-N 1 1 304.268 2.570 20 5 DFBDMO Cc1noc(CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000269064382 207213579 /nfs/dbraw/zinc/21/35/79/207213579.db2.gz YVZWWRWWTFTWTK-UHFFFAOYSA-N 1 1 316.361 2.883 20 5 DFBDMO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC(C)(C)O ZINC000602469411 399452392 /nfs/dbraw/zinc/45/23/92/399452392.db2.gz RLXOVQQOVTWZCK-UHFFFAOYSA-N 1 1 323.212 2.622 20 5 DFBDMO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC(C)(C)O ZINC000602469411 399452396 /nfs/dbraw/zinc/45/23/96/399452396.db2.gz RLXOVQQOVTWZCK-UHFFFAOYSA-N 1 1 323.212 2.622 20 5 DFBDMO CC(C)[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC1 ZINC000611257983 399452528 /nfs/dbraw/zinc/45/25/28/399452528.db2.gz VJDNEWUVKSNREL-UHFFFAOYSA-N 1 1 306.362 2.986 20 5 DFBDMO CC1(O)CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602469201 399452500 /nfs/dbraw/zinc/45/25/00/399452500.db2.gz BTCYDVLNBJOUJT-UHFFFAOYSA-N 1 1 318.295 2.960 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000611266796 399453279 /nfs/dbraw/zinc/45/32/79/399453279.db2.gz OLSBCWFIVAUCDY-UHFFFAOYSA-N 1 1 319.405 2.751 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000611266796 399453282 /nfs/dbraw/zinc/45/32/82/399453282.db2.gz OLSBCWFIVAUCDY-UHFFFAOYSA-N 1 1 319.405 2.751 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)o1 ZINC000611267508 399454442 /nfs/dbraw/zinc/45/44/42/399454442.db2.gz JZKUAHDLZLIUKP-AWEZNQCLSA-N 1 1 316.361 2.974 20 5 DFBDMO CC[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274833 399456305 /nfs/dbraw/zinc/45/63/05/399456305.db2.gz JQAONFGOBGLIEE-INIZCTEOSA-N 1 1 306.362 2.988 20 5 DFBDMO CC[C@H](C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350436 184295574 /nfs/dbraw/zinc/29/55/74/184295574.db2.gz OFULWEFOPAJWPG-ZDUSSCGKSA-N 1 1 307.394 2.720 20 5 DFBDMO CC[C@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350436 184295576 /nfs/dbraw/zinc/29/55/76/184295576.db2.gz OFULWEFOPAJWPG-ZDUSSCGKSA-N 1 1 307.394 2.720 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000066139926 184392435 /nfs/dbraw/zinc/39/24/35/184392435.db2.gz GDXMJUBINCNAPB-NSHDSACASA-N 1 1 318.377 2.536 20 5 DFBDMO CC[NH+]1CCC(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602548885 399473253 /nfs/dbraw/zinc/47/32/53/399473253.db2.gz HSFREGWPLBMQPD-UHFFFAOYSA-N 1 1 318.377 2.558 20 5 DFBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602569006 399478787 /nfs/dbraw/zinc/47/87/87/399478787.db2.gz QKFWIOPYHZBIIR-SMDDNHRTSA-N 1 1 318.377 2.554 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602569005 399478930 /nfs/dbraw/zinc/47/89/30/399478930.db2.gz QKFWIOPYHZBIIR-RISCZKNCSA-N 1 1 318.377 2.554 20 5 DFBDMO COC(=O)c1[nH]c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000602583914 399482984 /nfs/dbraw/zinc/48/29/84/399482984.db2.gz VOFGMUUJWXLCNN-LLVKDONJSA-N 1 1 317.345 2.869 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501862 399483161 /nfs/dbraw/zinc/48/31/61/399483161.db2.gz JOAMGCAJSSXNIZ-BXUZGUMPSA-N 1 1 323.368 2.912 20 5 DFBDMO CN(C)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc[nH+]1 ZINC000346893004 284973192 /nfs/dbraw/zinc/97/31/92/284973192.db2.gz WUJQBZFTCPPSQV-UHFFFAOYSA-N 1 1 320.736 2.962 20 5 DFBDMO CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000602653944 399503894 /nfs/dbraw/zinc/50/38/94/399503894.db2.gz FCQGOPYZACZGIW-PWSUYJOCSA-N 1 1 305.334 2.735 20 5 DFBDMO CO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000602653944 399503895 /nfs/dbraw/zinc/50/38/95/399503895.db2.gz FCQGOPYZACZGIW-PWSUYJOCSA-N 1 1 305.334 2.735 20 5 DFBDMO COc1cncc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000602658114 399505367 /nfs/dbraw/zinc/50/53/67/399505367.db2.gz JJIUPVYXMPSVBO-UHFFFAOYSA-N 1 1 315.373 2.981 20 5 DFBDMO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347069111 285011040 /nfs/dbraw/zinc/01/10/40/285011040.db2.gz ODLDFAQHBJBUEC-LBPRGKRZSA-N 1 1 301.346 2.635 20 5 DFBDMO Cn1cc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])n1 ZINC000602673897 399514730 /nfs/dbraw/zinc/51/47/30/399514730.db2.gz CZZQLZRMQVXNEZ-LBPRGKRZSA-N 1 1 320.780 2.971 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c([N+](=O)[O-])n1 ZINC000602673897 399514731 /nfs/dbraw/zinc/51/47/31/399514731.db2.gz CZZQLZRMQVXNEZ-LBPRGKRZSA-N 1 1 320.780 2.971 20 5 DFBDMO COc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422936757 296357906 /nfs/dbraw/zinc/35/79/06/296357906.db2.gz BSEBPEVADAHGKN-RRFJBIMHSA-N 1 1 319.405 2.614 20 5 DFBDMO COc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000318594187 533040135 /nfs/dbraw/zinc/04/01/35/533040135.db2.gz IURFIGVCUTWASP-WDEREUQCSA-N 1 1 309.341 2.781 20 5 DFBDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000347610775 285091429 /nfs/dbraw/zinc/09/14/29/285091429.db2.gz ZMKLJXHQZBODIY-UONOGXRCSA-N 1 1 321.421 2.903 20 5 DFBDMO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000159236053 197338377 /nfs/dbraw/zinc/33/83/77/197338377.db2.gz RKYQZNPQOZHVTE-UHFFFAOYSA-N 1 1 321.402 2.995 20 5 DFBDMO COc1cc(C[NH+]2CCC(C)(F)CC2)c([N+](=O)[O-])cc1OC ZINC000602740458 399550566 /nfs/dbraw/zinc/55/05/66/399550566.db2.gz COLUNBZBEHBKQP-UHFFFAOYSA-N 1 1 312.341 2.936 20 5 DFBDMO Cc1ccccc1C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602766743 399561850 /nfs/dbraw/zinc/56/18/50/399561850.db2.gz AZIZIFGDAAUNON-UHFFFAOYSA-N 1 1 300.362 2.801 20 5 DFBDMO Cc1ccccc1C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602766743 399561853 /nfs/dbraw/zinc/56/18/53/399561853.db2.gz AZIZIFGDAAUNON-UHFFFAOYSA-N 1 1 300.362 2.801 20 5 DFBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000286522121 219034655 /nfs/dbraw/zinc/03/46/55/219034655.db2.gz QTYCGDHIAWJIDS-GFCCVEGCSA-N 1 1 311.407 2.537 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000602774999 399567396 /nfs/dbraw/zinc/56/73/96/399567396.db2.gz CRYLLENVFCDAEQ-ZDUSSCGKSA-N 1 1 318.352 2.728 20 5 DFBDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000158167226 197249260 /nfs/dbraw/zinc/24/92/60/197249260.db2.gz KNUODLWHUFVOHQ-LBPRGKRZSA-N 1 1 306.284 2.728 20 5 DFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000158167226 197249261 /nfs/dbraw/zinc/24/92/61/197249261.db2.gz KNUODLWHUFVOHQ-LBPRGKRZSA-N 1 1 306.284 2.728 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC2(CCCC2)C1 ZINC000158040742 197238346 /nfs/dbraw/zinc/23/83/46/197238346.db2.gz FLGDTRFGWIPHCZ-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC2(CCCC2)C1 ZINC000158040742 197238348 /nfs/dbraw/zinc/23/83/48/197238348.db2.gz FLGDTRFGWIPHCZ-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCNC1 ZINC000423190389 296390420 /nfs/dbraw/zinc/39/04/20/296390420.db2.gz NVYJAZURGGEKDZ-CHWSQXEVSA-N 1 1 309.435 2.807 20 5 DFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000423189713 296390576 /nfs/dbraw/zinc/39/05/76/296390576.db2.gz RCFBAHMHJUXADR-GFCCVEGCSA-N 1 1 309.435 2.807 20 5 DFBDMO Cn1cc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602790836 399574680 /nfs/dbraw/zinc/57/46/80/399574680.db2.gz LBSRKBRKFVYOTA-INIZCTEOSA-N 1 1 312.373 2.980 20 5 DFBDMO Cn1cc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602790836 399574685 /nfs/dbraw/zinc/57/46/85/399574685.db2.gz LBSRKBRKFVYOTA-INIZCTEOSA-N 1 1 312.373 2.980 20 5 DFBDMO CCOc1ccccc1[C@H](CC)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800187 399580131 /nfs/dbraw/zinc/58/01/31/399580131.db2.gz KJOZYWNALNOKNF-AWEZNQCLSA-N 1 1 318.377 2.968 20 5 DFBDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157550394 197196442 /nfs/dbraw/zinc/19/64/42/197196442.db2.gz WTHCZKGEWNDZPP-SNVBAGLBSA-N 1 1 310.304 2.763 20 5 DFBDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602797733 399578828 /nfs/dbraw/zinc/57/88/28/399578828.db2.gz JYJJZDWUEVCZJD-AWEZNQCLSA-N 1 1 303.366 2.578 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCc1nccs1)C(C)C ZINC000602800344 399579589 /nfs/dbraw/zinc/57/95/89/399579589.db2.gz LNVAFPSJLHTPQP-UHFFFAOYSA-N 1 1 323.422 2.509 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000602798795 399579628 /nfs/dbraw/zinc/57/96/28/399579628.db2.gz WGCZZLOZASPHID-NSHDSACASA-N 1 1 304.350 2.918 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000602808647 399583694 /nfs/dbraw/zinc/58/36/94/399583694.db2.gz NIJSDXDOGUXBSP-DOMZBBRYSA-N 1 1 315.377 2.578 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000602838638 399596123 /nfs/dbraw/zinc/59/61/23/399596123.db2.gz ACXAEYGUNYLYBS-UHFFFAOYSA-N 1 1 320.780 2.811 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000602838638 399596127 /nfs/dbraw/zinc/59/61/27/399596127.db2.gz ACXAEYGUNYLYBS-UHFFFAOYSA-N 1 1 320.780 2.811 20 5 DFBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccns1 ZINC000602880478 399613717 /nfs/dbraw/zinc/61/37/17/399613717.db2.gz AFEWMQNXZRPWKJ-UHFFFAOYSA-N 1 1 320.374 2.512 20 5 DFBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccns1 ZINC000602880478 399613721 /nfs/dbraw/zinc/61/37/21/399613721.db2.gz AFEWMQNXZRPWKJ-UHFFFAOYSA-N 1 1 320.374 2.512 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000602886476 399616354 /nfs/dbraw/zinc/61/63/54/399616354.db2.gz RZAPMINXVARLPO-CQSZACIVSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000602886476 399616359 /nfs/dbraw/zinc/61/63/59/399616359.db2.gz RZAPMINXVARLPO-CQSZACIVSA-N 1 1 304.325 2.686 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602890386 399617257 /nfs/dbraw/zinc/61/72/57/399617257.db2.gz XWMRKYJSGBHONJ-KGLIPLIRSA-N 1 1 315.377 2.975 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271612527 209059858 /nfs/dbraw/zinc/05/98/58/209059858.db2.gz CRDQOCGKPOOYJA-CHWSQXEVSA-N 1 1 322.409 2.685 20 5 DFBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000289476539 221003862 /nfs/dbraw/zinc/00/38/62/221003862.db2.gz RJSXWGQEPLBIHI-MRXNPFEDSA-N 1 1 318.377 2.883 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000602915537 399624358 /nfs/dbraw/zinc/62/43/58/399624358.db2.gz YOWPXLCFTBCVCP-ZDUSSCGKSA-N 1 1 316.352 2.903 20 5 DFBDMO CN(C(=O)C[N@H+]1CCC[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000289518333 221035408 /nfs/dbraw/zinc/03/54/08/221035408.db2.gz VMSALANAFZMMIN-CQSZACIVSA-N 1 1 317.389 2.680 20 5 DFBDMO CCOc1cc(C[N@@H+](CCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000617198848 399627279 /nfs/dbraw/zinc/62/72/79/399627279.db2.gz WUUKHBYNNZEPOA-UHFFFAOYSA-N 1 1 310.394 2.834 20 5 DFBDMO CCOc1cc(C[N@@H+](CC)C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000617196032 399627455 /nfs/dbraw/zinc/62/74/55/399627455.db2.gz AWCCPGNSVCPEPT-AWEZNQCLSA-N 1 1 308.378 2.852 20 5 DFBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4C)[C@H]1[C@H]3C2 ZINC000289674444 221146020 /nfs/dbraw/zinc/14/60/20/221146020.db2.gz NQJVAABGNXXUGE-XPYWIHLFSA-N 1 1 302.374 2.758 20 5 DFBDMO O=C(NCC[N@@H+]1CC=CCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289784148 221225365 /nfs/dbraw/zinc/22/53/65/221225365.db2.gz SZNLQWPSNNGKLH-UHFFFAOYSA-N 1 1 324.768 2.632 20 5 DFBDMO Cc1ccc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000290015124 221380401 /nfs/dbraw/zinc/38/04/01/221380401.db2.gz UTQMGHUKQFGTAW-GFCCVEGCSA-N 1 1 308.382 2.753 20 5 DFBDMO CC1(F)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000602992958 399652686 /nfs/dbraw/zinc/65/26/86/399652686.db2.gz LIPPCOKGLIQBGN-CQSZACIVSA-N 1 1 321.352 2.524 20 5 DFBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c21 ZINC000612444741 399653944 /nfs/dbraw/zinc/65/39/44/399653944.db2.gz MENPODKMHWZOJL-NSHDSACASA-N 1 1 324.344 2.645 20 5 DFBDMO C[C@@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[N@H+]1C1CC1 ZINC000612447835 399654190 /nfs/dbraw/zinc/65/41/90/399654190.db2.gz XQLBILRMXGRGCF-MNOVXSKESA-N 1 1 313.361 2.575 20 5 DFBDMO C[C@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[N@H+]1C1CC1 ZINC000612447836 399654258 /nfs/dbraw/zinc/65/42/58/399654258.db2.gz XQLBILRMXGRGCF-QWRGUYRKSA-N 1 1 313.361 2.575 20 5 DFBDMO COc1cc(C[NH2+][C@H]2CCCn3nccc32)c([N+](=O)[O-])cc1F ZINC000603030218 399661707 /nfs/dbraw/zinc/66/17/07/399661707.db2.gz SRGWVYBKNBBQKC-LBPRGKRZSA-N 1 1 320.324 2.564 20 5 DFBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C(C)(C)C ZINC000603141780 399693003 /nfs/dbraw/zinc/69/30/03/399693003.db2.gz IEHUSXSOPCKOIV-AWEZNQCLSA-N 1 1 323.368 2.536 20 5 DFBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C(C)(C)C ZINC000603141780 399693006 /nfs/dbraw/zinc/69/30/06/399693006.db2.gz IEHUSXSOPCKOIV-AWEZNQCLSA-N 1 1 323.368 2.536 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1cccnc1[N+](=O)[O-] ZINC000617481385 399713905 /nfs/dbraw/zinc/71/39/05/399713905.db2.gz MDHOQPZFFMJLKZ-UHFFFAOYSA-N 1 1 303.366 2.665 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000331306155 533568348 /nfs/dbraw/zinc/56/83/48/533568348.db2.gz ZHWLZOXTLUHSKZ-SCRDCRAPSA-N 1 1 308.378 2.585 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000366643032 131248961 /nfs/dbraw/zinc/24/89/61/131248961.db2.gz PWZLQOLYZXLISY-KGLIPLIRSA-N 1 1 319.386 2.922 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000366643032 131248963 /nfs/dbraw/zinc/24/89/63/131248963.db2.gz PWZLQOLYZXLISY-KGLIPLIRSA-N 1 1 319.386 2.922 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000366656512 131312543 /nfs/dbraw/zinc/31/25/43/131312543.db2.gz YFNAEHYGASUORK-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3C4CCC3CC4)n2)c1 ZINC000603580936 399791292 /nfs/dbraw/zinc/79/12/92/399791292.db2.gz JGMYSHPLSHQFGW-UHFFFAOYSA-N 1 1 300.318 2.772 20 5 DFBDMO O=[N+]([O-])c1ncccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000604304582 399835792 /nfs/dbraw/zinc/83/57/92/399835792.db2.gz NZJKEQHCZWUCQR-UHFFFAOYSA-N 1 1 304.375 2.522 20 5 DFBDMO O=[N+]([O-])c1ncccc1NCC[N@H+]1CCc2sccc2C1 ZINC000604304582 399835795 /nfs/dbraw/zinc/83/57/95/399835795.db2.gz NZJKEQHCZWUCQR-UHFFFAOYSA-N 1 1 304.375 2.522 20 5 DFBDMO O=C(C[N@@H+]1CC[C@H](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000339679944 543146328 /nfs/dbraw/zinc/14/63/28/543146328.db2.gz SRINLQQSMSZVBY-CYBMUJFWSA-N 1 1 303.362 2.655 20 5 DFBDMO O=C(C[N@H+]1CC[C@H](CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000339679944 543146331 /nfs/dbraw/zinc/14/63/31/543146331.db2.gz SRINLQQSMSZVBY-CYBMUJFWSA-N 1 1 303.362 2.655 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](C2CC2)CC1 ZINC000175138146 145399544 /nfs/dbraw/zinc/39/95/44/145399544.db2.gz ULYOZKCDUWKQAZ-UHFFFAOYSA-N 1 1 319.405 2.664 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227695345 146007357 /nfs/dbraw/zinc/00/73/57/146007357.db2.gz PGHWEDHOZAUXKZ-FRRDWIJNSA-N 1 1 305.378 2.900 20 5 DFBDMO CCN1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245436227 146070554 /nfs/dbraw/zinc/07/05/54/146070554.db2.gz QXFMOXSHNXMBGY-WMLDXEAASA-N 1 1 321.421 2.636 20 5 DFBDMO CCN1CC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245436227 146070556 /nfs/dbraw/zinc/07/05/56/146070556.db2.gz QXFMOXSHNXMBGY-WMLDXEAASA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@@H+]1CC[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245436227 146070560 /nfs/dbraw/zinc/07/05/60/146070560.db2.gz QXFMOXSHNXMBGY-WMLDXEAASA-N 1 1 321.421 2.636 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245436227 146070562 /nfs/dbraw/zinc/07/05/62/146070562.db2.gz QXFMOXSHNXMBGY-WMLDXEAASA-N 1 1 321.421 2.636 20 5 DFBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245896599 146108495 /nfs/dbraw/zinc/10/84/95/146108495.db2.gz KMZJETLNBHSABF-CHWSQXEVSA-N 1 1 305.378 2.536 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000247350048 146166290 /nfs/dbraw/zinc/16/62/90/146166290.db2.gz JQWNWHOQVPHKPW-BBRMVZONSA-N 1 1 319.405 2.706 20 5 DFBDMO NCC[N@H+](CCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000261795945 146277936 /nfs/dbraw/zinc/27/79/36/146277936.db2.gz QXEMQPQVZCKOAD-UHFFFAOYSA-N 1 1 313.401 2.641 20 5 DFBDMO NCC[N@@H+](CCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000261795945 146277939 /nfs/dbraw/zinc/27/79/39/146277939.db2.gz QXEMQPQVZCKOAD-UHFFFAOYSA-N 1 1 313.401 2.641 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000354351346 147004322 /nfs/dbraw/zinc/00/43/22/147004322.db2.gz CUOWQDXQWDKPRY-GHMZBOCLSA-N 1 1 312.801 2.952 20 5 DFBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1OC(F)F)C1CC1 ZINC000354498110 147059321 /nfs/dbraw/zinc/05/93/21/147059321.db2.gz BNKYCJLXWBJBJH-UHFFFAOYSA-N 1 1 301.293 2.702 20 5 DFBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000355250880 147239324 /nfs/dbraw/zinc/23/93/24/147239324.db2.gz HVALJBOQGFYLHK-CQSZACIVSA-N 1 1 319.405 2.979 20 5 DFBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cn2cc[nH+]c12 ZINC000355479186 147332318 /nfs/dbraw/zinc/33/23/18/147332318.db2.gz YHRCETMYJIHLLM-UHFFFAOYSA-N 1 1 311.301 2.507 20 5 DFBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000355545558 147358562 /nfs/dbraw/zinc/35/85/62/147358562.db2.gz AAVMRPHPIDMQBP-OAHLLOKOSA-N 1 1 319.405 2.518 20 5 DFBDMO CCC[C@@H]([NH2+]CCc1n[nH]c(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000356837063 147827851 /nfs/dbraw/zinc/82/78/51/147827851.db2.gz HNLJQQVCGAGZLC-CQSZACIVSA-N 1 1 303.366 2.695 20 5 DFBDMO CCC[C@@H]([NH2+]CCc1nnc(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000356837063 147827854 /nfs/dbraw/zinc/82/78/54/147827854.db2.gz HNLJQQVCGAGZLC-CQSZACIVSA-N 1 1 303.366 2.695 20 5 DFBDMO CCCCO[C@H]1C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000357927992 148178567 /nfs/dbraw/zinc/17/85/67/148178567.db2.gz JUKUTVIKKRRNSA-KBPBESRZSA-N 1 1 324.425 2.707 20 5 DFBDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357931078 148180326 /nfs/dbraw/zinc/18/03/26/148180326.db2.gz PLRVQMVZACXDHK-INIZCTEOSA-N 1 1 314.389 2.807 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCn4cc[nH+]c4C3)n2)s1 ZINC000350253690 286021700 /nfs/dbraw/zinc/02/17/00/286021700.db2.gz KPPHRRQCTKOTNQ-MRVPVSSYSA-N 1 1 317.330 2.633 20 5 DFBDMO CC(C)(C)C[N@@H+](CCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361259837 149069147 /nfs/dbraw/zinc/06/91/47/149069147.db2.gz NWNWLAIASGYLHN-UHFFFAOYSA-N 1 1 320.393 2.702 20 5 DFBDMO NC(=O)c1ccc(C[N@@H+](CC2CC2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000361556802 149147385 /nfs/dbraw/zinc/14/73/85/149147385.db2.gz LGQQJDWOAJYTTM-UHFFFAOYSA-N 1 1 317.389 2.706 20 5 DFBDMO Cn1nccc1[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000361630108 149174144 /nfs/dbraw/zinc/17/41/44/149174144.db2.gz SVXIOTUVNBLUBS-GFCCVEGCSA-N 1 1 306.391 2.769 20 5 DFBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000361630108 149174151 /nfs/dbraw/zinc/17/41/51/149174151.db2.gz SVXIOTUVNBLUBS-GFCCVEGCSA-N 1 1 306.391 2.769 20 5 DFBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2ncsc2c1 ZINC000362574088 149313007 /nfs/dbraw/zinc/31/30/07/149313007.db2.gz AINQTIPPNCIQKR-SECBINFHSA-N 1 1 317.374 2.789 20 5 DFBDMO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000362577415 149314252 /nfs/dbraw/zinc/31/42/52/149314252.db2.gz AOWXRVHQVQFPPU-LBPRGKRZSA-N 1 1 307.394 2.638 20 5 DFBDMO Cc1c(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000362577415 149314253 /nfs/dbraw/zinc/31/42/53/149314253.db2.gz AOWXRVHQVQFPPU-LBPRGKRZSA-N 1 1 307.394 2.638 20 5 DFBDMO Cc1c(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000362740726 149355306 /nfs/dbraw/zinc/35/53/06/149355306.db2.gz KDPFWOCPJHJZCI-HNNXBMFYSA-N 1 1 320.393 2.707 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000351508558 286139116 /nfs/dbraw/zinc/13/91/16/286139116.db2.gz ITFJQCVGAJSARA-GHMZBOCLSA-N 1 1 311.357 2.661 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000371331256 150025661 /nfs/dbraw/zinc/02/56/61/150025661.db2.gz GFARFZCGEBRMIC-BYQDXSGLSA-N 1 1 302.374 2.966 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](C4CC4)C3)o2)cc1 ZINC000371343596 150026966 /nfs/dbraw/zinc/02/69/66/150026966.db2.gz HJDJAFAKTPDAJB-CYBMUJFWSA-N 1 1 314.345 2.877 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000374047751 150298190 /nfs/dbraw/zinc/29/81/90/150298190.db2.gz DRBLINCHIIMSCS-AWEZNQCLSA-N 1 1 322.405 2.976 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375029361 150387503 /nfs/dbraw/zinc/38/75/03/150387503.db2.gz HFIVIPHJLRFXLW-XJKSGUPXSA-N 1 1 319.405 2.520 20 5 DFBDMO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351755221 286210798 /nfs/dbraw/zinc/21/07/98/286210798.db2.gz HNHXYKKQOSEXOH-VHSXEESVSA-N 1 1 300.305 2.608 20 5 DFBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351755221 286210799 /nfs/dbraw/zinc/21/07/99/286210799.db2.gz HNHXYKKQOSEXOH-VHSXEESVSA-N 1 1 300.305 2.608 20 5 DFBDMO COc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000352220289 286321298 /nfs/dbraw/zinc/32/12/98/286321298.db2.gz HDJLYWXOKOZDBM-UHFFFAOYSA-N 1 1 312.329 2.770 20 5 DFBDMO C[C@@H]1CC[N@@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352349943 286350177 /nfs/dbraw/zinc/35/01/77/286350177.db2.gz IRCUJCNASRQMLX-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CCCn1cc[nH+]c1CCCN(C)c1ccc([N+](=O)[O-])nc1 ZINC000428678480 296711269 /nfs/dbraw/zinc/71/12/69/296711269.db2.gz HKAWPGDFORVYAQ-UHFFFAOYSA-N 1 1 303.366 2.665 20 5 DFBDMO CCc1nnc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000353078473 286545914 /nfs/dbraw/zinc/54/59/14/286545914.db2.gz HQJBWRFNWKIGDS-ALCCZGGFSA-N 1 1 304.375 2.812 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)n1 ZINC000185332591 158054271 /nfs/dbraw/zinc/05/42/71/158054271.db2.gz FBEFVNWXRPTEMH-LLVKDONJSA-N 1 1 322.315 2.559 20 5 DFBDMO Cn1cccc1[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246275262 158083131 /nfs/dbraw/zinc/08/31/31/158083131.db2.gz MVFQLOJHWBRCKE-IAGOWNOFSA-N 1 1 315.373 2.804 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246483966 158093821 /nfs/dbraw/zinc/09/38/21/158093821.db2.gz QTLVGBDUEYUEDN-IUODEOHRSA-N 1 1 320.393 2.753 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000246950714 158108412 /nfs/dbraw/zinc/10/84/12/158108412.db2.gz LVYXRWHHYYBOIY-HIFRSBDPSA-N 1 1 317.389 2.602 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247672788 158147773 /nfs/dbraw/zinc/14/77/73/158147773.db2.gz RANWCFNHQSRJHY-CZUORRHYSA-N 1 1 300.362 2.874 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248368276 158169116 /nfs/dbraw/zinc/16/91/16/158169116.db2.gz VAAYMMHDPCGQOU-AWEZNQCLSA-N 1 1 309.797 2.918 20 5 DFBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000356750339 158312397 /nfs/dbraw/zinc/31/23/97/158312397.db2.gz YWEMOCFBXLTQEL-SNVBAGLBSA-N 1 1 315.320 2.727 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000358384600 158374391 /nfs/dbraw/zinc/37/43/91/158374391.db2.gz ZJBITJMHAMSJRM-KGLIPLIRSA-N 1 1 319.405 2.896 20 5 DFBDMO C[N@@H+](CCCOCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000053608006 425888333 /nfs/dbraw/zinc/88/83/33/425888333.db2.gz DLPAEMREESWFPR-UHFFFAOYSA-N 1 1 306.284 2.996 20 5 DFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000130990213 196130029 /nfs/dbraw/zinc/13/00/29/196130029.db2.gz FSVBKJUCJUXUOX-RRMDADRESA-N 1 1 312.435 2.615 20 5 DFBDMO CC[C@@H](NC(=O)C[N@@H+](CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000133166629 196318228 /nfs/dbraw/zinc/31/82/28/196318228.db2.gz DWZKUDPOEKSDRZ-OAHLLOKOSA-N 1 1 305.378 2.646 20 5 DFBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC000134271311 196376297 /nfs/dbraw/zinc/37/62/97/196376297.db2.gz YAQNWJAAEKMJHN-MRXNPFEDSA-N 1 1 314.389 2.917 20 5 DFBDMO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271641235 209085692 /nfs/dbraw/zinc/08/56/92/209085692.db2.gz RMUJAWNKIYPGMQ-VXGBXAGGSA-N 1 1 307.394 2.939 20 5 DFBDMO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271641233 209085796 /nfs/dbraw/zinc/08/57/96/209085796.db2.gz RMUJAWNKIYPGMQ-RYUDHWBXSA-N 1 1 307.394 2.939 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cs1 ZINC000291270614 222274691 /nfs/dbraw/zinc/27/46/91/222274691.db2.gz NTJYKPZFSNMKEL-INIZCTEOSA-N 1 1 318.398 2.792 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cs1 ZINC000291270614 222274693 /nfs/dbraw/zinc/27/46/93/222274693.db2.gz NTJYKPZFSNMKEL-INIZCTEOSA-N 1 1 318.398 2.792 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000298139774 228377256 /nfs/dbraw/zinc/37/72/56/228377256.db2.gz DAJRIPJFAIQRSS-AWEZNQCLSA-N 1 1 319.405 2.898 20 5 DFBDMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000299396897 229096902 /nfs/dbraw/zinc/09/69/02/229096902.db2.gz UOLFUYDITRSBNT-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1nn(C)c(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000302065199 230074853 /nfs/dbraw/zinc/07/48/53/230074853.db2.gz VSJJAUAEAGJTFI-DGCLKSJQSA-N 1 1 321.425 2.702 20 5 DFBDMO Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000063694101 425900934 /nfs/dbraw/zinc/90/09/34/425900934.db2.gz SPZJVJFLUHPDGL-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO CCOC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066695646 425906009 /nfs/dbraw/zinc/90/60/09/425906009.db2.gz DUCUUHOPLHAFJS-GFCCVEGCSA-N 1 1 306.362 2.931 20 5 DFBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000067661129 425912097 /nfs/dbraw/zinc/91/20/97/425912097.db2.gz MHSIWEFXJSPGCC-ZFWWWQNUSA-N 1 1 310.394 2.701 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000124453702 425920340 /nfs/dbraw/zinc/92/03/40/425920340.db2.gz ZWKDHPLVZNNQNM-AWEZNQCLSA-N 1 1 319.405 2.693 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000016481415 425786145 /nfs/dbraw/zinc/78/61/45/425786145.db2.gz KXKYXNZBDRQJCR-UHFFFAOYSA-N 1 1 313.357 2.623 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507185 268136074 /nfs/dbraw/zinc/13/60/74/268136074.db2.gz WCLBYWJLPJHLSI-UHFFFAOYSA-N 1 1 316.361 2.576 20 5 DFBDMO COc1ccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269699646 268189759 /nfs/dbraw/zinc/18/97/59/268189759.db2.gz LITYNNBCJVIDNP-KRWDZBQOSA-N 1 1 316.357 2.769 20 5 DFBDMO C[C@@H](O)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269670608 268190153 /nfs/dbraw/zinc/19/01/53/268190153.db2.gz UOTYYCURXSAAIR-CXAGYDPISA-N 1 1 322.405 2.644 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCNC[C@@H]2c2ccccc2)cc1 ZINC000313362953 268340014 /nfs/dbraw/zinc/34/00/14/268340014.db2.gz MBGNCEYBUJKBNR-GOSISDBHSA-N 1 1 311.385 2.784 20 5 DFBDMO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125630865 425982841 /nfs/dbraw/zinc/98/28/41/425982841.db2.gz YKIRANMWZPSIGZ-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000125179564 425956990 /nfs/dbraw/zinc/95/69/90/425956990.db2.gz DZMMBPBCNIMVDC-NWDGAFQWSA-N 1 1 305.378 2.704 20 5 DFBDMO C[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000104773274 425965135 /nfs/dbraw/zinc/96/51/35/425965135.db2.gz DJBHKFWBCSVJPS-UHFFFAOYSA-N 1 1 306.366 2.591 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC1CCC1 ZINC000111299554 426045726 /nfs/dbraw/zinc/04/57/26/426045726.db2.gz RLGUXEMTWKYZLJ-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000162108735 426052578 /nfs/dbraw/zinc/05/25/78/426052578.db2.gz QYJYOEVDSFRSMD-OAHLLOKOSA-N 1 1 320.393 2.837 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](CO)C3)o2)cc1 ZINC000127218637 426056298 /nfs/dbraw/zinc/05/62/98/426056298.db2.gz WWOHYYVOYVDCDO-LBPRGKRZSA-N 1 1 302.330 2.669 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000112309759 426072476 /nfs/dbraw/zinc/07/24/76/426072476.db2.gz SVQIWWWEAHLVJU-UHFFFAOYSA-N 1 1 313.785 2.710 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000163219211 426094481 /nfs/dbraw/zinc/09/44/81/426094481.db2.gz SFOWWWSBVXPQOM-JSGCOSHPSA-N 1 1 318.377 2.604 20 5 DFBDMO Cc1c(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000164608930 426115573 /nfs/dbraw/zinc/11/55/73/426115573.db2.gz NVXITMHGSGXKEP-FZMZJTMJSA-N 1 1 320.393 2.753 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000127612013 426076562 /nfs/dbraw/zinc/07/65/62/426076562.db2.gz CJNGOWYKICXJQB-CYBMUJFWSA-N 1 1 320.393 2.675 20 5 DFBDMO COc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000075861381 426087104 /nfs/dbraw/zinc/08/71/04/426087104.db2.gz MIDDQRLCBAMCRR-OAHLLOKOSA-N 1 1 321.421 2.910 20 5 DFBDMO C[C@@H](O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512873 426172905 /nfs/dbraw/zinc/17/29/05/426172905.db2.gz XECWPCVLEINAJY-CQSZACIVSA-N 1 1 322.405 2.989 20 5 DFBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000135593113 426223664 /nfs/dbraw/zinc/22/36/64/426223664.db2.gz DVPBKJGGCRONBM-OAHLLOKOSA-N 1 1 300.362 2.838 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000084439836 426237474 /nfs/dbraw/zinc/23/74/74/426237474.db2.gz DDZCTYKBQDCHKC-NSHDSACASA-N 1 1 309.797 2.822 20 5 DFBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(C)C ZINC000118833083 426247089 /nfs/dbraw/zinc/24/70/89/426247089.db2.gz FQWGHDRKAYUGCX-LBPRGKRZSA-N 1 1 323.393 2.908 20 5 DFBDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000117344754 426211482 /nfs/dbraw/zinc/21/14/82/426211482.db2.gz BVTPJGIXGMOMMT-GFCCVEGCSA-N 1 1 305.378 2.706 20 5 DFBDMO CC(C)[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000117334845 426212237 /nfs/dbraw/zinc/21/22/37/426212237.db2.gz NJNHSPAQWHHXQV-UHFFFAOYSA-N 1 1 319.361 2.766 20 5 DFBDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000117348955 426212753 /nfs/dbraw/zinc/21/27/53/426212753.db2.gz CZSAYLHMGDWTPV-AWEZNQCLSA-N 1 1 305.378 2.704 20 5 DFBDMO CC(C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000080643232 426216231 /nfs/dbraw/zinc/21/62/31/426216231.db2.gz RLILVYVRQFDUCF-ZBFHGGJFSA-N 1 1 322.405 2.703 20 5 DFBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nccs1 ZINC000175109049 426278910 /nfs/dbraw/zinc/27/89/10/426278910.db2.gz ZHFXKSLPCRIWFC-UHFFFAOYSA-N 1 1 320.374 2.512 20 5 DFBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nccs1 ZINC000175109049 426278912 /nfs/dbraw/zinc/27/89/12/426278912.db2.gz ZHFXKSLPCRIWFC-UHFFFAOYSA-N 1 1 320.374 2.512 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)C[C@@H]1CCCO1 ZINC000175138825 426281207 /nfs/dbraw/zinc/28/12/07/426281207.db2.gz GQXKYGDZIGIIKB-HNNXBMFYSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000175138825 426281208 /nfs/dbraw/zinc/28/12/08/426281208.db2.gz GQXKYGDZIGIIKB-HNNXBMFYSA-N 1 1 308.378 2.994 20 5 DFBDMO COCC[N@@H+](C)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153758601 426404218 /nfs/dbraw/zinc/40/42/18/426404218.db2.gz HYXYEBKSEDHYSQ-CQSZACIVSA-N 1 1 309.410 2.522 20 5 DFBDMO COCCN(C)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153758601 426404227 /nfs/dbraw/zinc/40/42/27/426404227.db2.gz HYXYEBKSEDHYSQ-CQSZACIVSA-N 1 1 309.410 2.522 20 5 DFBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000152843981 426357910 /nfs/dbraw/zinc/35/79/10/426357910.db2.gz QBECFQAPXRPVMA-LLVKDONJSA-N 1 1 323.418 2.745 20 5 DFBDMO COc1ccc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176194914 426359516 /nfs/dbraw/zinc/35/95/16/426359516.db2.gz WFMUSCXGLPUFQN-OAHLLOKOSA-N 1 1 316.361 2.637 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccc(F)cc2)CC2CC2)n1 ZINC000176246692 426363547 /nfs/dbraw/zinc/36/35/47/426363547.db2.gz WRVMLQBPCZPIJM-UHFFFAOYSA-N 1 1 318.352 2.843 20 5 DFBDMO CC[N@H+]1CCC[C@H](CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000122388632 426373050 /nfs/dbraw/zinc/37/30/50/426373050.db2.gz OFOMMKLHURREMA-GFCCVEGCSA-N 1 1 321.377 2.525 20 5 DFBDMO COCCCOC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000122645437 426386772 /nfs/dbraw/zinc/38/67/72/426386772.db2.gz VUNFWBMFQGZARH-UHFFFAOYSA-N 1 1 314.407 2.674 20 5 DFBDMO COc1ccc(NC(=O)Cn2cc[nH+]c2C(C)C)c([N+](=O)[O-])c1 ZINC000123537149 426439111 /nfs/dbraw/zinc/43/91/11/426439111.db2.gz KKMUFXXIFMCOGL-UHFFFAOYSA-N 1 1 318.333 2.562 20 5 DFBDMO CC(C)c1[nH+]ccn1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000123650467 426445804 /nfs/dbraw/zinc/44/58/04/426445804.db2.gz OOTJDTDTWODMJB-UHFFFAOYSA-N 1 1 302.334 2.578 20 5 DFBDMO COCCO[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000340766459 269009131 /nfs/dbraw/zinc/00/91/31/269009131.db2.gz IIAIGTAUNFVLNG-KGLIPLIRSA-N 1 1 308.378 2.783 20 5 DFBDMO Cc1cccc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341063219 269037145 /nfs/dbraw/zinc/03/71/45/269037145.db2.gz DXRRAWQVVROMHL-OKILXGFUSA-N 1 1 319.405 2.896 20 5 DFBDMO CCOc1ccccc1[C@@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341089560 269042809 /nfs/dbraw/zinc/04/28/09/269042809.db2.gz BGCXODKZKIRTNJ-LLVKDONJSA-N 1 1 304.350 2.578 20 5 DFBDMO C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123700519 426448215 /nfs/dbraw/zinc/44/82/15/426448215.db2.gz DHDQZZFLJMATSP-QJXJPNQISA-N 1 1 317.389 2.549 20 5 DFBDMO C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177220951 426455029 /nfs/dbraw/zinc/45/50/29/426455029.db2.gz QUTYUHUOFNJVQS-CABZTGNLSA-N 1 1 323.780 2.603 20 5 DFBDMO Cc1nc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154922044 426459376 /nfs/dbraw/zinc/45/93/76/426459376.db2.gz GDGQBGGPXCOPTM-LBPRGKRZSA-N 1 1 304.394 2.751 20 5 DFBDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000280154353 426508386 /nfs/dbraw/zinc/50/83/86/426508386.db2.gz DXAINJXBYPDITE-HNNXBMFYSA-N 1 1 323.349 2.894 20 5 DFBDMO CCC[N@@H+](CC)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000288426208 426522176 /nfs/dbraw/zinc/52/21/76/426522176.db2.gz OBOCHBZUYZWUHF-UHFFFAOYSA-N 1 1 309.395 2.743 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280316578 426548248 /nfs/dbraw/zinc/54/82/48/426548248.db2.gz GTMUZUKCMRMBIS-DYVFJYSZSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280316578 426548252 /nfs/dbraw/zinc/54/82/52/426548252.db2.gz GTMUZUKCMRMBIS-DYVFJYSZSA-N 1 1 320.389 2.926 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000177496703 426490125 /nfs/dbraw/zinc/49/01/25/426490125.db2.gz CSUVFEBVZMSYAR-CYBMUJFWSA-N 1 1 320.393 2.709 20 5 DFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000265167486 426589636 /nfs/dbraw/zinc/58/96/36/426589636.db2.gz CYYCPLDNGGHULA-GJZGRUSLSA-N 1 1 308.378 2.729 20 5 DFBDMO CSCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272555939 426556128 /nfs/dbraw/zinc/55/61/28/426556128.db2.gz SGPUTCNKUUEUDR-CQSZACIVSA-N 1 1 320.418 2.760 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])cc1OC ZINC000280669200 426631170 /nfs/dbraw/zinc/63/11/70/426631170.db2.gz UCSOKRUSVLZBKP-INIZCTEOSA-N 1 1 324.377 2.613 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])cc1OC ZINC000280669200 426631177 /nfs/dbraw/zinc/63/11/77/426631177.db2.gz UCSOKRUSVLZBKP-INIZCTEOSA-N 1 1 324.377 2.613 20 5 DFBDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273299876 426637365 /nfs/dbraw/zinc/63/73/65/426637365.db2.gz GXSAVUGQIKFPLH-BBRMVZONSA-N 1 1 322.405 2.845 20 5 DFBDMO CCC[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1cccc([N+](=O)[O-])c1 ZINC000187734817 426688192 /nfs/dbraw/zinc/68/81/92/426688192.db2.gz ADSSHLXRKFIDQN-HNNXBMFYSA-N 1 1 317.345 2.918 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC=C(C)C1 ZINC000280957010 426693108 /nfs/dbraw/zinc/69/31/08/426693108.db2.gz YJNITCXQLKVOSU-UHFFFAOYSA-N 1 1 319.361 2.584 20 5 DFBDMO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)n1 ZINC000290244436 426725342 /nfs/dbraw/zinc/72/53/42/426725342.db2.gz SVWPCDPKOISYTA-LLVKDONJSA-N 1 1 317.345 2.858 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281625167 426731567 /nfs/dbraw/zinc/73/15/67/426731567.db2.gz HTKDJJYSWYDUJF-TZMCWYRMSA-N 1 1 308.378 2.993 20 5 DFBDMO C[N@H+](CCCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000281664112 426739559 /nfs/dbraw/zinc/73/95/59/426739559.db2.gz CPHWSEGWCJZQKW-UHFFFAOYSA-N 1 1 307.375 2.533 20 5 DFBDMO C[N@@H+](CCCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000281664112 426739565 /nfs/dbraw/zinc/73/95/65/426739565.db2.gz CPHWSEGWCJZQKW-UHFFFAOYSA-N 1 1 307.375 2.533 20 5 DFBDMO Cc1c[nH]nc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290323009 426740175 /nfs/dbraw/zinc/74/01/75/426740175.db2.gz BTVFIRZCBHWERX-UHFFFAOYSA-N 1 1 316.361 2.670 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245514452 426746172 /nfs/dbraw/zinc/74/61/72/426746172.db2.gz BWVAXMRMIXGHSB-MFKMUULPSA-N 1 1 318.295 2.963 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245514452 426746176 /nfs/dbraw/zinc/74/61/76/426746176.db2.gz BWVAXMRMIXGHSB-MFKMUULPSA-N 1 1 318.295 2.963 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245531074 426748613 /nfs/dbraw/zinc/74/86/13/426748613.db2.gz SYHKHXUWWDXHNZ-STQMWFEESA-N 1 1 305.378 2.552 20 5 DFBDMO CCC[NH+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000179539621 426800500 /nfs/dbraw/zinc/80/05/00/426800500.db2.gz SFWXMZXDZRPXMS-UHFFFAOYSA-N 1 1 319.405 2.688 20 5 DFBDMO Cc1noc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000267047524 426816084 /nfs/dbraw/zinc/81/60/84/426816084.db2.gz PYWHHYQOYABTPZ-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000267047524 426816085 /nfs/dbraw/zinc/81/60/85/426816085.db2.gz PYWHHYQOYABTPZ-LBPRGKRZSA-N 1 1 320.324 2.805 20 5 DFBDMO CC(=O)N1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000179813343 426818487 /nfs/dbraw/zinc/81/84/87/426818487.db2.gz FGOJGRANAGKQCP-UHFFFAOYSA-N 1 1 319.405 2.772 20 5 DFBDMO CC(=O)N1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000179813343 426818492 /nfs/dbraw/zinc/81/84/92/426818492.db2.gz FGOJGRANAGKQCP-UHFFFAOYSA-N 1 1 319.405 2.772 20 5 DFBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267110019 426824686 /nfs/dbraw/zinc/82/46/86/426824686.db2.gz XARPSNJBJABLQN-ZBFHGGJFSA-N 1 1 314.389 2.744 20 5 DFBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000274803768 426839850 /nfs/dbraw/zinc/83/98/50/426839850.db2.gz LACBMFINBCNQNF-UHFFFAOYSA-N 1 1 317.349 2.620 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC000275598057 426877615 /nfs/dbraw/zinc/87/76/15/426877615.db2.gz QFQDMFPAXPIOLB-SECBINFHSA-N 1 1 307.741 2.514 20 5 DFBDMO C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000247035746 426892859 /nfs/dbraw/zinc/89/28/59/426892859.db2.gz VCSKNIATIRKVHT-STQMWFEESA-N 1 1 317.389 2.604 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247882121 426964709 /nfs/dbraw/zinc/96/47/09/426964709.db2.gz BWFNIHBCTQLFRY-BBRMVZONSA-N 1 1 308.353 2.861 20 5 DFBDMO COc1c(O)cccc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283050081 426940235 /nfs/dbraw/zinc/94/02/35/426940235.db2.gz ORXHGHCLPFNISC-UHFFFAOYSA-N 1 1 316.357 2.984 20 5 DFBDMO CC[N@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000295727646 427014766 /nfs/dbraw/zinc/01/47/66/427014766.db2.gz VKHVBKGKSNWUAV-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO C[C@@H]1C[C@H](C)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182239939 427034144 /nfs/dbraw/zinc/03/41/44/427034144.db2.gz BUUUNOIIFOVSDW-KFWWJZLASA-N 1 1 322.405 2.703 20 5 DFBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000248813988 427043826 /nfs/dbraw/zinc/04/38/26/427043826.db2.gz IBNXEIDVYSTUGD-YCPHGPKFSA-N 1 1 318.373 2.677 20 5 DFBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000248813988 427043829 /nfs/dbraw/zinc/04/38/29/427043829.db2.gz IBNXEIDVYSTUGD-YCPHGPKFSA-N 1 1 318.373 2.677 20 5 DFBDMO COc1ccc(C[NH2+][C@@H](C)c2ccncc2F)cc1[N+](=O)[O-] ZINC000337939953 427050600 /nfs/dbraw/zinc/05/06/00/427050600.db2.gz AMWYEDZCYJKVAZ-JTQLQIEISA-N 1 1 305.309 2.988 20 5 DFBDMO Cc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000296134081 427085706 /nfs/dbraw/zinc/08/57/06/427085706.db2.gz ILRHUFHKPMYNJV-AGUYFDCRSA-N 1 1 318.377 2.650 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@@H](C)C1 ZINC000190403931 427096758 /nfs/dbraw/zinc/09/67/58/427096758.db2.gz JBZBPLYQHZIVPD-NSHDSACASA-N 1 1 323.418 2.527 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190403931 427096762 /nfs/dbraw/zinc/09/67/62/427096762.db2.gz JBZBPLYQHZIVPD-NSHDSACASA-N 1 1 323.418 2.527 20 5 DFBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276603123 427111976 /nfs/dbraw/zinc/11/19/76/427111976.db2.gz KUBBFPDHKYRJHR-LBPRGKRZSA-N 1 1 300.362 2.531 20 5 DFBDMO CC(C)CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000044898531 270948464 /nfs/dbraw/zinc/94/84/64/270948464.db2.gz OIFLWIGZKCPARM-UHFFFAOYSA-N 1 1 305.378 2.704 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249520771 427122234 /nfs/dbraw/zinc/12/22/34/427122234.db2.gz MNHJYJRFWDLVFG-UONOGXRCSA-N 1 1 308.378 2.599 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1F ZINC000292235902 427139831 /nfs/dbraw/zinc/13/98/31/427139831.db2.gz WIDNLNRJKFKFDP-CQSZACIVSA-N 1 1 308.353 2.982 20 5 DFBDMO CCCCC[N@@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184214482 271196578 /nfs/dbraw/zinc/19/65/78/271196578.db2.gz QKPXKMHXWQZFSB-UHFFFAOYSA-N 1 1 314.357 2.727 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000292443574 427182508 /nfs/dbraw/zinc/18/25/08/427182508.db2.gz YMORSEZVOSSADH-GFCCVEGCSA-N 1 1 304.394 2.609 20 5 DFBDMO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000292885079 427203426 /nfs/dbraw/zinc/20/34/26/427203426.db2.gz VGEUZHOOHVFDJR-TXEJJXNPSA-N 1 1 300.362 2.672 20 5 DFBDMO C[N@@H+](CCCO[C@@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000338234913 427207920 /nfs/dbraw/zinc/20/79/20/427207920.db2.gz JEIBMYGASZICSJ-MRXNPFEDSA-N 1 1 308.378 2.960 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000285374890 427215406 /nfs/dbraw/zinc/21/54/06/427215406.db2.gz CGNBREAOHJIIFV-JTQLQIEISA-N 1 1 322.315 2.976 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSCC[C@H]1C ZINC000285601583 427285570 /nfs/dbraw/zinc/28/55/70/427285570.db2.gz BWEPPPDFLUHOLL-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSCC[C@H]1C ZINC000285601583 427285577 /nfs/dbraw/zinc/28/55/77/427285577.db2.gz BWEPPPDFLUHOLL-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000293155551 427229596 /nfs/dbraw/zinc/22/95/96/427229596.db2.gz XMQIUFWQMJEIOL-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000330399458 427230845 /nfs/dbraw/zinc/23/08/45/427230845.db2.gz RMMRWDQNRVGPMY-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454131 427236809 /nfs/dbraw/zinc/23/68/09/427236809.db2.gz YIKLJZHNHKGVHV-MEBBXXQBSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454131 427236817 /nfs/dbraw/zinc/23/68/17/427236817.db2.gz YIKLJZHNHKGVHV-MEBBXXQBSA-N 1 1 314.332 2.856 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](O)CC3)co2)cc1 ZINC000293196424 427243350 /nfs/dbraw/zinc/24/33/50/427243350.db2.gz QNDIJEUYLVHHTE-OAHLLOKOSA-N 1 1 317.345 2.597 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255180183 427245685 /nfs/dbraw/zinc/24/56/85/427245685.db2.gz TVPQRPKPTHDIPO-WOLCWHLNSA-N 1 1 317.389 2.551 20 5 DFBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183311144 427246245 /nfs/dbraw/zinc/24/62/45/427246245.db2.gz KHEONOMIYUZSDO-OAHLLOKOSA-N 1 1 319.405 2.641 20 5 DFBDMO O=C(CC[N@H+]1CC[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337354659 271502897 /nfs/dbraw/zinc/50/28/97/271502897.db2.gz BOQDTXLCTQGJFA-TZMCWYRMSA-N 1 1 303.362 2.798 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000183393970 427261714 /nfs/dbraw/zinc/26/17/14/427261714.db2.gz QUZXSVTZDUESDL-NVXWUHKLSA-N 1 1 303.406 2.819 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC=C(C)CC1 ZINC000270360680 427331528 /nfs/dbraw/zinc/33/15/28/427331528.db2.gz RPPABPABCPRNNT-UHFFFAOYSA-N 1 1 319.361 2.584 20 5 DFBDMO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261966013 427346160 /nfs/dbraw/zinc/34/61/60/427346160.db2.gz YKLDOHRMPBAXFB-DOMZBBRYSA-N 1 1 312.373 2.640 20 5 DFBDMO CC1([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000183855493 427352122 /nfs/dbraw/zinc/35/21/22/427352122.db2.gz PONJBUAVSVFNSN-AWEZNQCLSA-N 1 1 306.362 2.570 20 5 DFBDMO CC[C@@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000293641637 427390940 /nfs/dbraw/zinc/39/09/40/427390940.db2.gz IBLBXSKGKHKKQD-JSGCOSHPSA-N 1 1 306.410 2.702 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184107759 427396134 /nfs/dbraw/zinc/39/61/34/427396134.db2.gz QYFCNFSUSXHPSA-CQSZACIVSA-N 1 1 320.389 2.785 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C(F)F)CC1 ZINC000331139136 427354264 /nfs/dbraw/zinc/35/42/64/427354264.db2.gz JPGPUQOOOSSPPG-SNVBAGLBSA-N 1 1 300.305 2.748 20 5 DFBDMO CCOc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000338743256 427464424 /nfs/dbraw/zinc/46/44/24/427464424.db2.gz HEKKTGGALRVTQJ-QGZVFWFLSA-N 1 1 319.405 2.916 20 5 DFBDMO CCC[N@H+](CCc1cccs1)CCn1cc([N+](=O)[O-])cn1 ZINC000184505475 427475216 /nfs/dbraw/zinc/47/52/16/427475216.db2.gz UAVCDXKYRNODDK-UHFFFAOYSA-N 1 1 308.407 2.808 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286090243 427422710 /nfs/dbraw/zinc/42/27/10/427422710.db2.gz DMEMLBDGOSVRIZ-NNQSOWQGSA-N 1 1 317.389 2.600 20 5 DFBDMO CC(C)c1cccc2c1CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000191894470 427440589 /nfs/dbraw/zinc/44/05/89/427440589.db2.gz OGZKZLPZYJSRNE-UHFFFAOYSA-N 1 1 314.389 2.973 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000192188416 427497839 /nfs/dbraw/zinc/49/78/39/427497839.db2.gz LHGNSHRBFCIBTP-RYUDHWBXSA-N 1 1 323.418 2.749 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCS[C@@H](C)CC1 ZINC000192188416 427497845 /nfs/dbraw/zinc/49/78/45/427497845.db2.gz LHGNSHRBFCIBTP-RYUDHWBXSA-N 1 1 323.418 2.749 20 5 DFBDMO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000332081601 427504344 /nfs/dbraw/zinc/50/43/44/427504344.db2.gz MKESZDYYCXRBMN-CMPLNLGQSA-N 1 1 302.334 2.837 20 5 DFBDMO C[C@@]12CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000298198096 427532081 /nfs/dbraw/zinc/53/20/81/427532081.db2.gz CBYXDWYLNXUTSD-UONOGXRCSA-N 1 1 312.316 2.951 20 5 DFBDMO CCCC(=O)N[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263700713 427543795 /nfs/dbraw/zinc/54/37/95/427543795.db2.gz NOVBBMQMUZPAQB-HNNXBMFYSA-N 1 1 319.405 2.518 20 5 DFBDMO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)[N@@H+]1C ZINC000294118124 427556272 /nfs/dbraw/zinc/55/62/72/427556272.db2.gz ZOHFRCNYZDXJHY-PHIMTYICSA-N 1 1 317.345 2.506 20 5 DFBDMO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)[N@H+]1C ZINC000294118124 427556265 /nfs/dbraw/zinc/55/62/65/427556265.db2.gz ZOHFRCNYZDXJHY-PHIMTYICSA-N 1 1 317.345 2.506 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000332594325 427621499 /nfs/dbraw/zinc/62/14/99/427621499.db2.gz OLZUBSMWWIOMPP-KGLIPLIRSA-N 1 1 317.389 2.520 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000298305457 427566945 /nfs/dbraw/zinc/56/69/45/427566945.db2.gz YIPASMBDCWMBOG-UHFFFAOYSA-N 1 1 309.366 2.662 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332326179 427580853 /nfs/dbraw/zinc/58/08/53/427580853.db2.gz OLRYFHDCESWMCP-NEPJUHHUSA-N 1 1 301.350 2.654 20 5 DFBDMO COC(=O)C1(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000279169088 427581974 /nfs/dbraw/zinc/58/19/74/427581974.db2.gz GZNPHXLJFIUCEV-UHFFFAOYSA-N 1 1 312.753 2.633 20 5 DFBDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000338952669 427586632 /nfs/dbraw/zinc/58/66/32/427586632.db2.gz HVJKTUNOWHMLJR-HNNXBMFYSA-N 1 1 308.378 2.531 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000332369298 427593146 /nfs/dbraw/zinc/59/31/46/427593146.db2.gz ACYMRCTZOSCALQ-UHFFFAOYSA-N 1 1 319.405 2.751 20 5 DFBDMO CCOCC[N@H+]1CCN(c2c(C)cccc2[N+](=O)[O-])C[C@@H]1CC ZINC000339016930 427626916 /nfs/dbraw/zinc/62/69/16/427626916.db2.gz LXTUKKIGPNWGHK-HNNXBMFYSA-N 1 1 321.421 2.840 20 5 DFBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000193044818 427655023 /nfs/dbraw/zinc/65/50/23/427655023.db2.gz GBOKWXIXTCRGBH-GFCCVEGCSA-N 1 1 317.345 2.810 20 5 DFBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000185482708 427660799 /nfs/dbraw/zinc/66/07/99/427660799.db2.gz ILLPQAVGUXRHLS-LBPRGKRZSA-N 1 1 318.402 2.935 20 5 DFBDMO CC(C)C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342692482 272042067 /nfs/dbraw/zinc/04/20/67/272042067.db2.gz DIQICSNJGIUDGV-CABCVRRESA-N 1 1 322.405 2.845 20 5 DFBDMO CCC[N@@H+](CC(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342712455 272043973 /nfs/dbraw/zinc/04/39/73/272043973.db2.gz SDILHEPRYRITRE-CQSZACIVSA-N 1 1 310.394 2.703 20 5 DFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185584679 427674194 /nfs/dbraw/zinc/67/41/94/427674194.db2.gz GBTGJAWJKZYNFZ-IUODEOHRSA-N 1 1 305.378 2.678 20 5 DFBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185586456 427675291 /nfs/dbraw/zinc/67/52/91/427675291.db2.gz MNEVGTKPKPHDSC-WFASDCNBSA-N 1 1 305.378 2.962 20 5 DFBDMO CC(=O)NC1CCC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000344080277 272258410 /nfs/dbraw/zinc/25/84/10/272258410.db2.gz YUDNFCDYBDZZGI-UHFFFAOYSA-N 1 1 319.405 2.782 20 5 DFBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344217235 272289587 /nfs/dbraw/zinc/28/95/87/272289587.db2.gz QRJMNUQCBLHEBS-GFCCVEGCSA-N 1 1 323.368 2.584 20 5 DFBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000344425841 272330439 /nfs/dbraw/zinc/33/04/39/272330439.db2.gz WQESDTZEPVQZLK-DZGCQCFKSA-N 1 1 322.409 2.539 20 5 DFBDMO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000344439117 272331479 /nfs/dbraw/zinc/33/14/79/272331479.db2.gz UDXQMQWVDKCSDQ-UHFFFAOYSA-N 1 1 314.345 2.566 20 5 DFBDMO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339134432 427696420 /nfs/dbraw/zinc/69/64/20/427696420.db2.gz RXHDDWNILCLQSD-ZJUUUORDSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339134432 427696427 /nfs/dbraw/zinc/69/64/27/427696427.db2.gz RXHDDWNILCLQSD-ZJUUUORDSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295109648 427697818 /nfs/dbraw/zinc/69/78/18/427697818.db2.gz KXQCLZYCZGLHOE-ZYHUDNBSSA-N 1 1 323.780 2.557 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000298773444 427703932 /nfs/dbraw/zinc/70/39/32/427703932.db2.gz SRRZGJPPEMHUOX-TZMCWYRMSA-N 1 1 321.377 2.866 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000298773444 427703938 /nfs/dbraw/zinc/70/39/38/427703938.db2.gz SRRZGJPPEMHUOX-TZMCWYRMSA-N 1 1 321.377 2.866 20 5 DFBDMO CN1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279565202 427704242 /nfs/dbraw/zinc/70/42/42/427704242.db2.gz SHNUFAUECMDKLS-UHFFFAOYSA-N 1 1 317.311 2.797 20 5 DFBDMO Cc1cc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000193725175 427709894 /nfs/dbraw/zinc/70/98/94/427709894.db2.gz IKZXOCCJYWHSOC-CQSZACIVSA-N 1 1 318.377 2.605 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+]1CCCC[C@H]1C ZINC000336863832 427766268 /nfs/dbraw/zinc/76/62/68/427766268.db2.gz IYSNAVMWGGTORZ-GFCCVEGCSA-N 1 1 309.414 2.796 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000336874495 427769888 /nfs/dbraw/zinc/76/98/88/427769888.db2.gz ZEAGENMDOSGJAE-ARFHVFGLSA-N 1 1 320.389 2.729 20 5 DFBDMO C[N@H+]1CCC[C@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000339431217 427774032 /nfs/dbraw/zinc/77/40/32/427774032.db2.gz WOGJIFOAZONNNQ-INIZCTEOSA-N 1 1 307.369 2.652 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000301230786 427783493 /nfs/dbraw/zinc/78/34/93/427783493.db2.gz AQQBOMSUIIKRED-NSHDSACASA-N 1 1 323.422 2.980 20 5 DFBDMO Cc1ccnc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301289513 427787094 /nfs/dbraw/zinc/78/70/94/427787094.db2.gz NCSCUAOLESZQEI-BETUJISGSA-N 1 1 322.409 2.598 20 5 DFBDMO Cc1ccnc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301289513 427787100 /nfs/dbraw/zinc/78/71/00/427787100.db2.gz NCSCUAOLESZQEI-BETUJISGSA-N 1 1 322.409 2.598 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299075894 427746927 /nfs/dbraw/zinc/74/69/27/427746927.db2.gz HEWXHAIKLSCPTJ-GHMZBOCLSA-N 1 1 311.407 2.507 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000301495146 427799796 /nfs/dbraw/zinc/79/97/96/427799796.db2.gz AKNCKXUJYRFQND-LLVKDONJSA-N 1 1 311.357 2.886 20 5 DFBDMO CCOc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301507176 427801255 /nfs/dbraw/zinc/80/12/55/427801255.db2.gz HHYWKYHJSJNVTQ-CQSZACIVSA-N 1 1 305.378 2.668 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000301564087 427805291 /nfs/dbraw/zinc/80/52/91/427805291.db2.gz YSZQXWLFCNTKPL-CYBMUJFWSA-N 1 1 307.394 2.885 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675018 427810190 /nfs/dbraw/zinc/81/01/90/427810190.db2.gz RALMGMVUSPHVQN-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675018 427810193 /nfs/dbraw/zinc/81/01/93/427810193.db2.gz RALMGMVUSPHVQN-AWEZNQCLSA-N 1 1 317.389 2.964 20 5 DFBDMO COc1cc(NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000301613728 427810207 /nfs/dbraw/zinc/81/02/07/427810207.db2.gz HMURZFOTCCBSPV-LLVKDONJSA-N 1 1 311.357 2.886 20 5 DFBDMO Cc1ccc(N(C)CC(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000301767566 427822593 /nfs/dbraw/zinc/82/25/93/427822593.db2.gz IJDRAVBKHMUTRJ-UHFFFAOYSA-N 1 1 321.421 2.698 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339777302 427827362 /nfs/dbraw/zinc/82/73/62/427827362.db2.gz SQUBCMMOQVGLPA-CYBMUJFWSA-N 1 1 321.421 2.719 20 5 DFBDMO CCC[N@H+]1CCCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000301945551 427844249 /nfs/dbraw/zinc/84/42/49/427844249.db2.gz ZQQOEJWDDKMRHA-UHFFFAOYSA-N 1 1 311.357 2.665 20 5 DFBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000337366002 427867241 /nfs/dbraw/zinc/86/72/41/427867241.db2.gz LKKQORYBMGJLHO-QWHCGFSZSA-N 1 1 320.393 2.979 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000349974302 427912559 /nfs/dbraw/zinc/91/25/59/427912559.db2.gz WQCHOOAKITVIBU-RHSMWYFYSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000349974302 427912563 /nfs/dbraw/zinc/91/25/63/427912563.db2.gz WQCHOOAKITVIBU-RHSMWYFYSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000349974302 427912567 /nfs/dbraw/zinc/91/25/67/427912567.db2.gz WQCHOOAKITVIBU-RHSMWYFYSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000349974308 427914248 /nfs/dbraw/zinc/91/42/48/427914248.db2.gz WQCHOOAKITVIBU-WMLDXEAASA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000349974308 427914251 /nfs/dbraw/zinc/91/42/51/427914251.db2.gz WQCHOOAKITVIBU-WMLDXEAASA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000349974308 427914253 /nfs/dbraw/zinc/91/42/53/427914253.db2.gz WQCHOOAKITVIBU-WMLDXEAASA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000349974313 427915316 /nfs/dbraw/zinc/91/53/16/427915316.db2.gz WQCHOOAKITVIBU-YOEHRIQHSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000349974313 427915323 /nfs/dbraw/zinc/91/53/23/427915323.db2.gz WQCHOOAKITVIBU-YOEHRIQHSA-N 1 1 303.406 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000349974313 427915328 /nfs/dbraw/zinc/91/53/28/427915328.db2.gz WQCHOOAKITVIBU-YOEHRIQHSA-N 1 1 303.406 2.962 20 5 DFBDMO CC(C)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000304254749 427921915 /nfs/dbraw/zinc/92/19/15/427921915.db2.gz BGQXBPBXAVUQIH-OAHLLOKOSA-N 1 1 308.378 2.597 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000376742207 427989560 /nfs/dbraw/zinc/98/95/60/427989560.db2.gz MMPRCTYNZJJNEZ-UHFFFAOYSA-N 1 1 301.350 2.645 20 5 DFBDMO CCc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])nc(C)[nH+]1 ZINC000359724607 427990043 /nfs/dbraw/zinc/99/00/43/427990043.db2.gz VLSPWTMWJWEKTP-UHFFFAOYSA-N 1 1 320.780 3.564 20 5 DFBDMO Cc1cc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000347478971 272795418 /nfs/dbraw/zinc/79/54/18/272795418.db2.gz FSGNUJMTGOEBND-UHFFFAOYSA-N 1 1 319.405 2.755 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369764353 428055644 /nfs/dbraw/zinc/05/56/44/428055644.db2.gz BRYYQHCPAZNICM-CVEARBPZSA-N 1 1 307.369 2.793 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000359744788 428000608 /nfs/dbraw/zinc/00/06/08/428000608.db2.gz QWHVWSOMITVLIK-CYBMUJFWSA-N 1 1 307.394 2.753 20 5 DFBDMO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370054603 428123784 /nfs/dbraw/zinc/12/37/84/428123784.db2.gz BXDITLCOUJGBAU-HNNXBMFYSA-N 1 1 314.389 2.844 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352354893 428133277 /nfs/dbraw/zinc/13/32/77/428133277.db2.gz FTISUBCXMIRXCO-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000346343080 428133773 /nfs/dbraw/zinc/13/37/73/428133773.db2.gz VLUJIDYLTLFRLG-QRTARXTBSA-N 1 1 304.390 2.921 20 5 DFBDMO CCc1nc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000377493065 428139969 /nfs/dbraw/zinc/13/99/69/428139969.db2.gz GCJFMYLANLFUNW-ZDUSSCGKSA-N 1 1 316.361 2.920 20 5 DFBDMO CCc1nc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000377493065 428139976 /nfs/dbraw/zinc/13/99/76/428139976.db2.gz GCJFMYLANLFUNW-ZDUSSCGKSA-N 1 1 316.361 2.920 20 5 DFBDMO COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535421 428140004 /nfs/dbraw/zinc/14/00/04/428140004.db2.gz QJHQSBMDEYPSRG-CABCVRRESA-N 1 1 319.405 2.520 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000352544654 428145664 /nfs/dbraw/zinc/14/56/64/428145664.db2.gz CBXBZNMOEZECSX-QGZVFWFLSA-N 1 1 320.389 2.996 20 5 DFBDMO COc1cc(CN(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000352556406 428148923 /nfs/dbraw/zinc/14/89/23/428148923.db2.gz ZLMZGCSKWHCELY-OAHLLOKOSA-N 1 1 321.421 2.910 20 5 DFBDMO Cc1noc(C)c1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570738 428154551 /nfs/dbraw/zinc/15/45/51/428154551.db2.gz LNPRUCIIDAQMEI-UHFFFAOYSA-N 1 1 303.362 2.917 20 5 DFBDMO CCc1ccc([C@@H]([NH2+]CCCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346498174 428195643 /nfs/dbraw/zinc/19/56/43/428195643.db2.gz XHHHBXLMCYYHHX-INIZCTEOSA-N 1 1 304.346 2.812 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370402458 428201438 /nfs/dbraw/zinc/20/14/38/428201438.db2.gz AOHCQCVXVNJHQU-CXAGYDPISA-N 1 1 317.389 2.600 20 5 DFBDMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414396918 428283871 /nfs/dbraw/zinc/28/38/71/428283871.db2.gz GUUIVZNDPZZAIR-LLVKDONJSA-N 1 1 324.356 2.587 20 5 DFBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000352865904 428287914 /nfs/dbraw/zinc/28/79/14/428287914.db2.gz FNFJRRKHTMWKRK-GOEBONIOSA-N 1 1 322.405 2.989 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000356591977 428246330 /nfs/dbraw/zinc/24/63/30/428246330.db2.gz DSZRMKODUSIKGV-CYBMUJFWSA-N 1 1 307.394 2.753 20 5 DFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCn2ccnc2C1 ZINC000377860051 428248852 /nfs/dbraw/zinc/24/88/52/428248852.db2.gz KLDJKJHDBZZTIP-NSHDSACASA-N 1 1 306.391 2.547 20 5 DFBDMO CCc1ncc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000414444119 428298048 /nfs/dbraw/zinc/29/80/48/428298048.db2.gz UCPONRGUFHJAFD-UHFFFAOYSA-N 1 1 300.362 2.622 20 5 DFBDMO CCC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000346661945 428261483 /nfs/dbraw/zinc/26/14/83/428261483.db2.gz UWUGKXVMQIIIKJ-CQSZACIVSA-N 1 1 307.394 2.532 20 5 DFBDMO Cc1ccc(C[N@H+]2CCCc3c(cnn3C)C2)cc1[N+](=O)[O-] ZINC000414469487 428307656 /nfs/dbraw/zinc/30/76/56/428307656.db2.gz GKUWJILUVDWSMF-UHFFFAOYSA-N 1 1 300.362 2.585 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCCc3c(cnn3C)C2)cc1[N+](=O)[O-] ZINC000414469487 428307662 /nfs/dbraw/zinc/30/76/62/428307662.db2.gz GKUWJILUVDWSMF-UHFFFAOYSA-N 1 1 300.362 2.585 20 5 DFBDMO Cc1c(CN2CCC3(CCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000378434892 428395903 /nfs/dbraw/zinc/39/59/03/428395903.db2.gz VTCZSXLIHKAUES-UHFFFAOYSA-N 1 1 303.406 2.963 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000347003938 428404192 /nfs/dbraw/zinc/40/41/92/428404192.db2.gz ADSMZUWVXMYIIY-BXKDBHETSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000347003938 428404199 /nfs/dbraw/zinc/40/41/99/428404199.db2.gz ADSMZUWVXMYIIY-BXKDBHETSA-N 1 1 312.753 2.632 20 5 DFBDMO COCCc1cc[nH+]c(NC/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000353038244 428364919 /nfs/dbraw/zinc/36/49/19/428364919.db2.gz ZCLWDOKIEHGPLC-GQCTYLIASA-N 1 1 313.357 3.304 20 5 DFBDMO Cc1cc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc([N+](=O)[O-])c1 ZINC000346908869 428368000 /nfs/dbraw/zinc/36/80/00/428368000.db2.gz BVPFCUZLPBCLNN-UHFFFAOYSA-N 1 1 300.318 2.617 20 5 DFBDMO CN(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC000346922419 428372296 /nfs/dbraw/zinc/37/22/96/428372296.db2.gz KLWHGAFZDXHVTK-UHFFFAOYSA-N 1 1 320.736 2.962 20 5 DFBDMO Cc1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000346935592 428378542 /nfs/dbraw/zinc/37/85/42/428378542.db2.gz RPEYYXIBJNPXRE-UHFFFAOYSA-N 1 1 300.318 2.617 20 5 DFBDMO CNC(=O)C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000360780151 428436372 /nfs/dbraw/zinc/43/63/72/428436372.db2.gz DRJLRTHAXBHNHH-ZDUSSCGKSA-N 1 1 319.386 2.623 20 5 DFBDMO CCC(=O)N1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000378504433 428414807 /nfs/dbraw/zinc/41/48/07/428414807.db2.gz GVFGEBNDMUSILK-AWEZNQCLSA-N 1 1 319.405 2.909 20 5 DFBDMO CCC(=O)N1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000378504433 428414811 /nfs/dbraw/zinc/41/48/11/428414811.db2.gz GVFGEBNDMUSILK-AWEZNQCLSA-N 1 1 319.405 2.909 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000378515347 428416104 /nfs/dbraw/zinc/41/61/04/428416104.db2.gz WGHHLTNEZBIUMU-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000360915139 428488652 /nfs/dbraw/zinc/48/86/52/428488652.db2.gz VJJWKVJZNSZDGC-GFCCVEGCSA-N 1 1 307.398 2.548 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000360960836 428511316 /nfs/dbraw/zinc/51/13/16/428511316.db2.gz NHGWLTMNDOKQBR-NEPJUHHUSA-N 1 1 309.414 2.652 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000360960837 428511371 /nfs/dbraw/zinc/51/13/71/428511371.db2.gz NHGWLTMNDOKQBR-NWDGAFQWSA-N 1 1 309.414 2.652 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373247617 428525888 /nfs/dbraw/zinc/52/58/88/428525888.db2.gz RPSUUDRGNBECDC-KRWDZBQOSA-N 1 1 320.389 2.729 20 5 DFBDMO C[NH+](C)Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1Cl ZINC000343874487 428587085 /nfs/dbraw/zinc/58/70/85/428587085.db2.gz YGTMSJWILJKJNU-UHFFFAOYSA-N 1 1 322.752 2.890 20 5 DFBDMO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000347312106 428539532 /nfs/dbraw/zinc/53/95/32/428539532.db2.gz YNPZYOCYZDXFSC-HZMBPMFUSA-N 1 1 324.356 2.584 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000353590407 428609065 /nfs/dbraw/zinc/60/90/65/428609065.db2.gz JABREPJDXQOMHD-TZMCWYRMSA-N 1 1 318.402 2.513 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344030458 428612892 /nfs/dbraw/zinc/61/28/92/428612892.db2.gz BQPZXGRRXHEEAE-KBPBESRZSA-N 1 1 322.405 2.703 20 5 DFBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000373611513 428621420 /nfs/dbraw/zinc/62/14/20/428621420.db2.gz PMOCUZYZRWFLKC-QGZVFWFLSA-N 1 1 320.389 2.755 20 5 DFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000373611513 428621423 /nfs/dbraw/zinc/62/14/23/428621423.db2.gz PMOCUZYZRWFLKC-QGZVFWFLSA-N 1 1 320.389 2.755 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344433738 428642136 /nfs/dbraw/zinc/64/21/36/428642136.db2.gz JYFIGFNNHMLXQZ-ZDUSSCGKSA-N 1 1 301.350 2.590 20 5 DFBDMO Cc1ccc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353714117 428673245 /nfs/dbraw/zinc/67/32/45/428673245.db2.gz PUWABIHOBJQMJZ-GOEBONIOSA-N 1 1 303.406 2.962 20 5 DFBDMO COc1ccc(OCC[NH2+][C@H](C)c2ncc(C)o2)c([N+](=O)[O-])c1 ZINC000348354253 428718193 /nfs/dbraw/zinc/71/81/93/428718193.db2.gz APEOQCFVCVHDCK-LLVKDONJSA-N 1 1 321.333 2.629 20 5 DFBDMO Cc1cnc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000348399894 428732878 /nfs/dbraw/zinc/73/28/78/428732878.db2.gz RQMDZFNENHPCQV-NSHDSACASA-N 1 1 318.333 2.571 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000374365468 428676897 /nfs/dbraw/zinc/67/68/97/428676897.db2.gz KMMBIEMGJGHOIZ-GFCCVEGCSA-N 1 1 323.356 2.870 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344642946 428687982 /nfs/dbraw/zinc/68/79/82/428687982.db2.gz LXTZYJYOCYZZDL-HNNXBMFYSA-N 1 1 319.405 2.753 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000353900741 428770578 /nfs/dbraw/zinc/77/05/78/428770578.db2.gz HGDZCSODGNGRDZ-UHFFFAOYSA-N 1 1 320.393 2.717 20 5 DFBDMO Cc1cccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000374900699 428780019 /nfs/dbraw/zinc/78/00/19/428780019.db2.gz VKTNDOGZSNCYSR-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[C@@H]1O ZINC000348545715 428783982 /nfs/dbraw/zinc/78/39/82/428783982.db2.gz LBLKIKOKMJLWOX-RYUDHWBXSA-N 1 1 316.304 2.541 20 5 DFBDMO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000362431037 428739847 /nfs/dbraw/zinc/73/98/47/428739847.db2.gz QMDGVZXSDDRKFN-AOOOYVTPSA-N 1 1 311.769 2.775 20 5 DFBDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000362431037 428739849 /nfs/dbraw/zinc/73/98/49/428739849.db2.gz QMDGVZXSDDRKFN-AOOOYVTPSA-N 1 1 311.769 2.775 20 5 DFBDMO Cc1ccc(C[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000362618146 428794257 /nfs/dbraw/zinc/79/42/57/428794257.db2.gz WLXKXEBUXLBYKY-YCPHGPKFSA-N 1 1 317.389 2.522 20 5 DFBDMO CC(=O)c1ccc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000374987501 428795383 /nfs/dbraw/zinc/79/53/83/428795383.db2.gz LTRCDTISSAUWRI-UHFFFAOYSA-N 1 1 317.389 2.862 20 5 DFBDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000354015120 428822016 /nfs/dbraw/zinc/82/20/16/428822016.db2.gz PVSOJMVAXGWBST-LBPRGKRZSA-N 1 1 305.378 2.901 20 5 DFBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000354015120 428822022 /nfs/dbraw/zinc/82/20/22/428822022.db2.gz PVSOJMVAXGWBST-LBPRGKRZSA-N 1 1 305.378 2.901 20 5 DFBDMO CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000362997875 428839537 /nfs/dbraw/zinc/83/95/37/428839537.db2.gz SXRJDHNXUKHTKU-CQSZACIVSA-N 1 1 324.356 2.538 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411841382 428865973 /nfs/dbraw/zinc/86/59/73/428865973.db2.gz HKHWWPCGJGNQEY-LBPRGKRZSA-N 1 1 300.362 2.838 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000411841382 428865977 /nfs/dbraw/zinc/86/59/77/428865977.db2.gz HKHWWPCGJGNQEY-LBPRGKRZSA-N 1 1 300.362 2.838 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349115868 428924843 /nfs/dbraw/zinc/92/48/43/428924843.db2.gz FKVAZTGRXYGTNN-SWLSCSKDSA-N 1 1 305.378 2.646 20 5 DFBDMO Cc1cc(N2CC[C@](C)(C[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262412718 274712062 /nfs/dbraw/zinc/71/20/62/274712062.db2.gz DGJRUCAUOXOGAI-MRXNPFEDSA-N 1 1 300.362 2.627 20 5 DFBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000291023478 274722973 /nfs/dbraw/zinc/72/29/73/274722973.db2.gz XZJFEOGGKRAGHN-UHFFFAOYSA-N 1 1 321.768 2.606 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000345585763 428945990 /nfs/dbraw/zinc/94/59/90/428945990.db2.gz UUQUKKFAGLJJFR-CYBMUJFWSA-N 1 1 307.394 2.753 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000412091969 428949948 /nfs/dbraw/zinc/94/99/48/428949948.db2.gz CQJVGRSUFHQFNI-INIZCTEOSA-N 1 1 306.362 2.678 20 5 DFBDMO COc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000349293635 428956585 /nfs/dbraw/zinc/95/65/85/428956585.db2.gz GBZRYZZYGNONRT-NSHDSACASA-N 1 1 320.345 2.676 20 5 DFBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363632521 428957533 /nfs/dbraw/zinc/95/75/33/428957533.db2.gz FAAKSMIJCBRODV-IAGOWNOFSA-N 1 1 317.389 2.570 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000412109716 428958560 /nfs/dbraw/zinc/95/85/60/428958560.db2.gz UOJWCDVYSNUZAA-LRDDRELGSA-N 1 1 306.362 2.931 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000451774181 428970254 /nfs/dbraw/zinc/97/02/54/428970254.db2.gz AXMRRJPIWYBNDR-AWEZNQCLSA-N 1 1 310.394 2.703 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000375945343 429022918 /nfs/dbraw/zinc/02/29/18/429022918.db2.gz CUGKWNAWMYRXAP-SNVBAGLBSA-N 1 1 321.768 2.761 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000451784661 428973490 /nfs/dbraw/zinc/97/34/90/428973490.db2.gz DVQHLEWGXDGHLX-ZDUSSCGKSA-N 1 1 310.394 2.832 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451869686 429002813 /nfs/dbraw/zinc/00/28/13/429002813.db2.gz SDYWKJJLTWEEOH-HZPDHXFCSA-N 1 1 320.389 2.993 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCC1CCOCC1)CCO2 ZINC000433199223 429008911 /nfs/dbraw/zinc/00/89/11/429008911.db2.gz KFSITZBKAGRECF-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO O=[N+]([O-])c1c(NC[C@@H]2CCCC[N@H+]2C2CC2)nc2sccn21 ZINC000433821570 429053004 /nfs/dbraw/zinc/05/30/04/429053004.db2.gz PLQWDKUAIPAMLI-NSHDSACASA-N 1 1 321.406 2.733 20 5 DFBDMO COC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000452092197 429054782 /nfs/dbraw/zinc/05/47/82/429054782.db2.gz UDKXQANVGJASCS-LBPRGKRZSA-N 1 1 319.361 2.985 20 5 DFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC(F)(F)C[NH3+] ZINC000423337870 429067226 /nfs/dbraw/zinc/06/72/26/429067226.db2.gz HSYFFUMPLSCCSP-JTQLQIEISA-N 1 1 319.377 2.649 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000452135698 429067630 /nfs/dbraw/zinc/06/76/30/429067630.db2.gz WIFPGFUNLLRDCO-CQSZACIVSA-N 1 1 322.405 2.976 20 5 DFBDMO C[C@H](NC(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000452185619 429081740 /nfs/dbraw/zinc/08/17/40/429081740.db2.gz QBWHBSRJQUEQES-FZMZJTMJSA-N 1 1 314.345 2.546 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000494688798 429143291 /nfs/dbraw/zinc/14/32/91/429143291.db2.gz ILUVONBSERSDMK-OAHLLOKOSA-N 1 1 320.389 2.994 20 5 DFBDMO CC(=O)c1cc(NC[C@@H]2CCCn3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000376404099 429107670 /nfs/dbraw/zinc/10/76/70/429107670.db2.gz UQLQMLHQVVVYEN-LBPRGKRZSA-N 1 1 314.345 2.983 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@]3(CCCCO3)C2)c1 ZINC000376466983 429117669 /nfs/dbraw/zinc/11/76/69/429117669.db2.gz BRISAMVJQVTHHO-IRXDYDNUSA-N 1 1 320.389 2.663 20 5 DFBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(CC)CC ZINC000434983661 429117961 /nfs/dbraw/zinc/11/79/61/429117961.db2.gz SOIRLKPCNRWHTE-KGLIPLIRSA-N 1 1 324.425 2.707 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452576562 429129659 /nfs/dbraw/zinc/12/96/59/429129659.db2.gz UFWXNDQUOQRLQJ-SWLSCSKDSA-N 1 1 305.378 2.646 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301751704 275033561 /nfs/dbraw/zinc/03/35/61/275033561.db2.gz VDASOEWGWFYYJP-CYZMBNFOSA-N 1 1 322.796 2.564 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000375747957 275035902 /nfs/dbraw/zinc/03/59/02/275035902.db2.gz FRTRWOXGAHPTSH-FPMFFAJLSA-N 1 1 305.353 2.654 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000369019573 275042035 /nfs/dbraw/zinc/04/20/35/275042035.db2.gz QNHPIGOQAGVNOB-OAHLLOKOSA-N 1 1 300.362 2.671 20 5 DFBDMO Cc1cc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000364333789 429186288 /nfs/dbraw/zinc/18/62/88/429186288.db2.gz CYARUBQTILWJHX-LBPRGKRZSA-N 1 1 306.391 2.651 20 5 DFBDMO CO[C@H]1C[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000488596474 429187802 /nfs/dbraw/zinc/18/78/02/429187802.db2.gz YQRMFVQVJGOBQR-HOTGVXAUSA-N 1 1 308.378 2.564 20 5 DFBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000488746586 429195795 /nfs/dbraw/zinc/19/57/95/429195795.db2.gz NKYYYPVJVBENQF-MISXGVKJSA-N 1 1 324.812 2.810 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000364416333 429198007 /nfs/dbraw/zinc/19/80/07/429198007.db2.gz LMSFZZMGAYZQAW-MNOVXSKESA-N 1 1 323.780 2.605 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000364416334 429199184 /nfs/dbraw/zinc/19/91/84/429199184.db2.gz LMSFZZMGAYZQAW-QWRGUYRKSA-N 1 1 323.780 2.605 20 5 DFBDMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCO[C@@H]1C ZINC000489457808 429244469 /nfs/dbraw/zinc/24/44/69/429244469.db2.gz AFZKGGPIKDDUBI-CZUORRHYSA-N 1 1 308.378 2.529 20 5 DFBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000443971205 429260012 /nfs/dbraw/zinc/26/00/12/429260012.db2.gz VLARJRKAJUIAGD-ZDUSSCGKSA-N 1 1 320.393 2.675 20 5 DFBDMO CCOC(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000491009975 429318172 /nfs/dbraw/zinc/31/81/72/429318172.db2.gz QNNJPHHBHSLEFL-UHFFFAOYSA-N 1 1 321.377 2.648 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425554849 429322160 /nfs/dbraw/zinc/32/21/60/429322160.db2.gz WYMBDORIIWLSGY-RYUDHWBXSA-N 1 1 301.350 2.572 20 5 DFBDMO COc1cc(N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000365562173 429342709 /nfs/dbraw/zinc/34/27/09/429342709.db2.gz ZHVOKILQGNXQQK-LBPRGKRZSA-N 1 1 316.361 2.721 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000446044326 429295384 /nfs/dbraw/zinc/29/53/84/429295384.db2.gz VFLHFUZDNVCOAL-OKILXGFUSA-N 1 1 319.405 2.896 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426462905 429392426 /nfs/dbraw/zinc/39/24/26/429392426.db2.gz WIYWJDZBUUWLGG-WFASDCNBSA-N 1 1 303.362 2.716 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000426504814 429398438 /nfs/dbraw/zinc/39/84/38/429398438.db2.gz PUDHVVCJEPQZJH-GQPJMJRUSA-N 1 1 302.374 2.845 20 5 DFBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1noc(C2CC2)n1 ZINC000449297817 429379553 /nfs/dbraw/zinc/37/95/53/429379553.db2.gz HSDMRSINIOKVDP-NSHDSACASA-N 1 1 316.361 2.966 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000365838627 429383033 /nfs/dbraw/zinc/38/30/33/429383033.db2.gz RMOZYDARJZUIFJ-CYBMUJFWSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c(Cl)c1 ZINC000365838627 429383035 /nfs/dbraw/zinc/38/30/35/429383035.db2.gz RMOZYDARJZUIFJ-CYBMUJFWSA-N 1 1 306.753 2.892 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000449526120 429443217 /nfs/dbraw/zinc/44/32/17/429443217.db2.gz YYTLZJPVZSZEDV-LTPTVGFGSA-N 1 1 301.390 2.634 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000449526120 429443220 /nfs/dbraw/zinc/44/32/20/429443220.db2.gz YYTLZJPVZSZEDV-LTPTVGFGSA-N 1 1 301.390 2.634 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000449526120 429443223 /nfs/dbraw/zinc/44/32/23/429443223.db2.gz YYTLZJPVZSZEDV-LTPTVGFGSA-N 1 1 301.390 2.634 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000449526121 429444750 /nfs/dbraw/zinc/44/47/50/429444750.db2.gz YYTLZJPVZSZEDV-UJEYXKBXSA-N 1 1 301.390 2.634 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000449526121 429444754 /nfs/dbraw/zinc/44/47/54/429444754.db2.gz YYTLZJPVZSZEDV-UJEYXKBXSA-N 1 1 301.390 2.634 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000449526121 429444757 /nfs/dbraw/zinc/44/47/57/429444757.db2.gz YYTLZJPVZSZEDV-UJEYXKBXSA-N 1 1 301.390 2.634 20 5 DFBDMO CC(C)c1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449467101 429427116 /nfs/dbraw/zinc/42/71/16/429427116.db2.gz IGYDGMHHFOVNFP-OAHLLOKOSA-N 1 1 314.332 2.920 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449467101 429427119 /nfs/dbraw/zinc/42/71/19/429427119.db2.gz IGYDGMHHFOVNFP-OAHLLOKOSA-N 1 1 314.332 2.920 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000449476958 429429592 /nfs/dbraw/zinc/42/95/92/429429592.db2.gz VZKNFGPDKZEHKZ-OCOPJHETSA-N 1 1 312.316 2.700 20 5 DFBDMO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000519777365 429487932 /nfs/dbraw/zinc/48/79/32/429487932.db2.gz YVPIJRIMAKMPAM-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000519777365 429487936 /nfs/dbraw/zinc/48/79/36/429487936.db2.gz YVPIJRIMAKMPAM-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004332 429570304 /nfs/dbraw/zinc/57/03/04/429570304.db2.gz FINXYGVHPIVNNF-KEYYUXOJSA-N 1 1 303.406 2.757 20 5 DFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429002861 429571320 /nfs/dbraw/zinc/57/13/20/429571320.db2.gz WAWYOOJGUYZUIQ-BZPMIXESSA-N 1 1 309.435 2.818 20 5 DFBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429035345 429575110 /nfs/dbraw/zinc/57/51/10/429575110.db2.gz LQESGOSDBQWBIK-IIYDPXPESA-N 1 1 321.396 2.896 20 5 DFBDMO CC(C)[N@@H+](C)CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450250581 429585969 /nfs/dbraw/zinc/58/59/69/429585969.db2.gz LOJUINBZKDQNRZ-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DFBDMO CC(C)([NH2+]CC(=O)NC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429233738 429588447 /nfs/dbraw/zinc/58/84/47/429588447.db2.gz FPCWWWCSIKJLRL-UHFFFAOYSA-N 1 1 319.405 2.868 20 5 DFBDMO CC1=CC[N@@H+](CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450439961 429627021 /nfs/dbraw/zinc/62/70/21/429627021.db2.gz PKYOSIOBMIAQCG-UHFFFAOYSA-N 1 1 312.373 3.207 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000450550973 429646226 /nfs/dbraw/zinc/64/62/26/429646226.db2.gz ZEPXDXFQJTWRJO-LBPRGKRZSA-N 1 1 317.389 2.718 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)nc1 ZINC000450556591 429647336 /nfs/dbraw/zinc/64/73/36/429647336.db2.gz AYOMREOPJUJTOZ-LLVKDONJSA-N 1 1 312.320 2.521 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450329289 429600445 /nfs/dbraw/zinc/60/04/45/429600445.db2.gz QLLGDYHVVWGDBQ-LLVKDONJSA-N 1 1 318.402 2.859 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCC(OC)CC1 ZINC000430202932 429663739 /nfs/dbraw/zinc/66/37/39/429663739.db2.gz DUBITHJNMUISAO-UHFFFAOYSA-N 1 1 308.378 2.993 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000430219002 429664269 /nfs/dbraw/zinc/66/42/69/429664269.db2.gz KGABKFAAFDBDBL-MRXNPFEDSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000430245037 429667883 /nfs/dbraw/zinc/66/78/83/429667883.db2.gz ZRMGUBICKKZJQA-QGZVFWFLSA-N 1 1 322.405 2.976 20 5 DFBDMO CC1=C[C@H](C)C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430284646 429673451 /nfs/dbraw/zinc/67/34/51/429673451.db2.gz MUDYFOSTKVAVTB-WCQYABFASA-N 1 1 303.362 2.820 20 5 DFBDMO CC1=C[C@H](C)C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430284646 429673457 /nfs/dbraw/zinc/67/34/57/429673457.db2.gz MUDYFOSTKVAVTB-WCQYABFASA-N 1 1 303.362 2.820 20 5 DFBDMO CCOCC[N@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1CC ZINC000110560673 276323870 /nfs/dbraw/zinc/32/38/70/276323870.db2.gz LGAACWOLKJSTKR-CQSZACIVSA-N 1 1 307.394 2.532 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367840026 429727537 /nfs/dbraw/zinc/72/75/37/429727537.db2.gz FCBJHDJESGKZOD-GFCCVEGCSA-N 1 1 314.345 2.525 20 5 DFBDMO Cn1c2cc(F)ccc2[nH+]c1NCc1ccccc1[N+](=O)[O-] ZINC000431026173 429736079 /nfs/dbraw/zinc/73/60/79/429736079.db2.gz QUUOOCIHNGAHMK-UHFFFAOYSA-N 1 1 300.293 3.233 20 5 DFBDMO CC1(C)CCC[N@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000450952819 429738302 /nfs/dbraw/zinc/73/83/02/429738302.db2.gz VLRDPFKVGDYFJK-UHFFFAOYSA-N 1 1 309.395 2.590 20 5 DFBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431127120 429743233 /nfs/dbraw/zinc/74/32/33/429743233.db2.gz IVHUUJZRVSEPFM-BBRMVZONSA-N 1 1 322.405 2.701 20 5 DFBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431127123 429744194 /nfs/dbraw/zinc/74/41/94/429744194.db2.gz IVHUUJZRVSEPFM-CJNGLKHVSA-N 1 1 322.405 2.701 20 5 DFBDMO Cc1cccc2c1CC(C)(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000451260222 429797003 /nfs/dbraw/zinc/79/70/03/429797003.db2.gz JFERPJZUHATTOF-UHFFFAOYSA-N 1 1 314.389 2.937 20 5 DFBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451262319 429798780 /nfs/dbraw/zinc/79/87/80/429798780.db2.gz XJTPYSBGLJSPRK-CJNGLKHVSA-N 1 1 322.405 2.975 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](CO)[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000451263709 429799384 /nfs/dbraw/zinc/79/93/84/429799384.db2.gz IGYIQCYLTHRAMK-KBPBESRZSA-N 1 1 308.378 2.586 20 5 DFBDMO CC[N@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000432142372 429804571 /nfs/dbraw/zinc/80/45/71/429804571.db2.gz DUFSOEQFXJDKIQ-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO Cn1c2cc(F)ccc2[nH+]c1NCCc1ccccc1[N+](=O)[O-] ZINC000431415636 429759822 /nfs/dbraw/zinc/75/98/22/429759822.db2.gz SDXXMLDVJFECDK-UHFFFAOYSA-N 1 1 314.320 3.275 20 5 DFBDMO CC(C)[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000487042396 429762477 /nfs/dbraw/zinc/76/24/77/429762477.db2.gz IKZLIDCGZFGJFH-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368096301 429787094 /nfs/dbraw/zinc/78/70/94/429787094.db2.gz VQKYACBCLOKAEZ-LALPHHSUSA-N 1 1 303.362 2.796 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368096301 429787098 /nfs/dbraw/zinc/78/70/98/429787098.db2.gz VQKYACBCLOKAEZ-LALPHHSUSA-N 1 1 303.362 2.796 20 5 DFBDMO CN(C)C(=O)C1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000451398173 429822818 /nfs/dbraw/zinc/82/28/18/429822818.db2.gz DXQHQKHYIFXOJD-UHFFFAOYSA-N 1 1 323.368 2.615 20 5 DFBDMO CCO[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451521109 429840358 /nfs/dbraw/zinc/84/03/58/429840358.db2.gz CUJCBMNEWWJQNO-BBRMVZONSA-N 1 1 308.378 2.721 20 5 DFBDMO CCOCC[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543152 429848187 /nfs/dbraw/zinc/84/81/87/429848187.db2.gz BAIYRUVQOKQDTI-DOTOQJQBSA-N 1 1 322.405 2.562 20 5 DFBDMO Nc1ncccc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550062 429851060 /nfs/dbraw/zinc/85/10/60/429851060.db2.gz QRPONHYSPZTRJR-CQSZACIVSA-N 1 1 312.373 2.952 20 5 DFBDMO CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000451555976 429853588 /nfs/dbraw/zinc/85/35/88/429853588.db2.gz KODYEDALGBXSRI-AWEZNQCLSA-N 1 1 318.377 2.718 20 5 DFBDMO CO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000451555976 429853591 /nfs/dbraw/zinc/85/35/91/429853591.db2.gz KODYEDALGBXSRI-AWEZNQCLSA-N 1 1 318.377 2.718 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451645657 429866620 /nfs/dbraw/zinc/86/66/20/429866620.db2.gz BNBYYWPGRAEJDW-AWEZNQCLSA-N 1 1 308.403 2.931 20 5 DFBDMO CS[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000451324978 429810880 /nfs/dbraw/zinc/81/08/80/429810880.db2.gz MOFHRIYGECKEQQ-LBPRGKRZSA-N 1 1 320.374 2.582 20 5 DFBDMO CS[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000451324978 429810882 /nfs/dbraw/zinc/81/08/82/429810882.db2.gz MOFHRIYGECKEQQ-LBPRGKRZSA-N 1 1 320.374 2.582 20 5 DFBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000368670614 429884997 /nfs/dbraw/zinc/88/49/97/429884997.db2.gz FGHMPIMFPISTHR-IRXDYDNUSA-N 1 1 317.389 2.570 20 5 DFBDMO CC(C)C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368820564 429896578 /nfs/dbraw/zinc/89/65/78/429896578.db2.gz BHCPJTMOJYTSPS-UHFFFAOYSA-N 1 1 320.393 2.790 20 5 DFBDMO Cc1c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368839660 429898102 /nfs/dbraw/zinc/89/81/02/429898102.db2.gz XOJHNVUHACMHBW-WQVCFCJDSA-N 1 1 317.389 2.522 20 5 DFBDMO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000369275593 429922486 /nfs/dbraw/zinc/92/24/86/429922486.db2.gz XYHARUYSWXCMKQ-HNNXBMFYSA-N 1 1 317.389 2.572 20 5 DFBDMO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000369275593 429922487 /nfs/dbraw/zinc/92/24/87/429922487.db2.gz XYHARUYSWXCMKQ-HNNXBMFYSA-N 1 1 317.389 2.572 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC23CCOCC3)c1 ZINC000368575416 429870145 /nfs/dbraw/zinc/87/01/45/429870145.db2.gz HUNOSEVZBVBVMC-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000573918214 429994340 /nfs/dbraw/zinc/99/43/40/429994340.db2.gz SKPOXMUTUPXYRI-UHFFFAOYSA-N 1 1 309.366 2.662 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574146699 430014661 /nfs/dbraw/zinc/01/46/61/430014661.db2.gz FKQHKTUFMBGDQQ-CJNGLKHVSA-N 1 1 319.405 2.689 20 5 DFBDMO Cc1cc(N2CC[NH2+]C[C@](C)(F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000574143526 430015103 /nfs/dbraw/zinc/01/51/03/430015103.db2.gz WMKCVZYCNCNOGR-INIZCTEOSA-N 1 1 318.352 2.589 20 5 DFBDMO CCCC[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562058828 430107173 /nfs/dbraw/zinc/10/71/73/430107173.db2.gz SNWMUPRJORJLQX-UONOGXRCSA-N 1 1 310.394 2.845 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000249034475 277092509 /nfs/dbraw/zinc/09/25/09/277092509.db2.gz FTULDJKZNFYGIE-LALPHHSUSA-N 1 1 306.362 2.787 20 5 DFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000269085051 277156485 /nfs/dbraw/zinc/15/64/85/277156485.db2.gz HQLSOEMMROETBA-GXFFZTMASA-N 1 1 310.785 2.564 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)[C@H]2C1 ZINC000376484444 277178433 /nfs/dbraw/zinc/17/84/33/277178433.db2.gz NEVOHOHBELWMAW-LRDDRELGSA-N 1 1 312.373 2.673 20 5 DFBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000286471981 277228024 /nfs/dbraw/zinc/22/80/24/277228024.db2.gz NTMLFNNSPAYGFO-OAHLLOKOSA-N 1 1 319.405 2.518 20 5 DFBDMO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566476540 430264648 /nfs/dbraw/zinc/26/46/48/430264648.db2.gz ZNVUNLSNNDVCMU-DAXOMENPSA-N 1 1 303.406 2.900 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566476540 430264650 /nfs/dbraw/zinc/26/46/50/430264650.db2.gz ZNVUNLSNNDVCMU-DAXOMENPSA-N 1 1 303.406 2.900 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000544438888 430283034 /nfs/dbraw/zinc/28/30/34/430283034.db2.gz GUIQYSHAVIZARD-CVEARBPZSA-N 1 1 322.405 2.703 20 5 DFBDMO CC(=O)c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000568310918 430346438 /nfs/dbraw/zinc/34/64/38/430346438.db2.gz AFEUGPWPQKVMQP-LBPRGKRZSA-N 1 1 303.362 2.694 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000568626043 430376307 /nfs/dbraw/zinc/37/63/07/430376307.db2.gz MOEPZIKNBAEEIG-WMLDXEAASA-N 1 1 320.389 2.865 20 5 DFBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000237368920 277624551 /nfs/dbraw/zinc/62/45/51/277624551.db2.gz KZWQROZRCNYODT-SECBINFHSA-N 1 1 320.374 2.998 20 5 DFBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000548453552 430477989 /nfs/dbraw/zinc/47/79/89/430477989.db2.gz RJBNXAJAOZWUKR-HNNXBMFYSA-N 1 1 319.405 2.850 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C1CC1 ZINC000552836620 430601755 /nfs/dbraw/zinc/60/17/55/430601755.db2.gz MCDHYNXIWVCWPG-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000570840198 430580827 /nfs/dbraw/zinc/58/08/27/430580827.db2.gz XLAZIIPUPVGSIQ-HNNXBMFYSA-N 1 1 313.357 2.858 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000570840199 430581438 /nfs/dbraw/zinc/58/14/38/430581438.db2.gz XLAZIIPUPVGSIQ-OAHLLOKOSA-N 1 1 313.357 2.858 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000552493856 430598369 /nfs/dbraw/zinc/59/83/69/430598369.db2.gz MXYLNCPNNDSIQK-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO CC[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](C)C1 ZINC000553604148 430620374 /nfs/dbraw/zinc/62/03/74/430620374.db2.gz HFOVZPLIEBDROL-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301411400 278246500 /nfs/dbraw/zinc/24/65/00/278246500.db2.gz KHPNYFYALHPDRO-RISCZKNCSA-N 1 1 305.378 2.716 20 5 DFBDMO CC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267546112 278246628 /nfs/dbraw/zinc/24/66/28/278246628.db2.gz CSNACRYOKSYECW-BXUZGUMPSA-N 1 1 305.378 2.574 20 5 DFBDMO CC(=O)c1ccc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269076194 278246879 /nfs/dbraw/zinc/24/68/79/278246879.db2.gz BVNBYTOQWFGVCY-HUUCEWRRSA-N 1 1 317.389 2.718 20 5 DFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299075901 278259446 /nfs/dbraw/zinc/25/94/46/278259446.db2.gz HEWXHAIKLSCPTJ-QWRGUYRKSA-N 1 1 311.407 2.507 20 5 DFBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1nccs1 ZINC000271591242 278379390 /nfs/dbraw/zinc/37/93/90/278379390.db2.gz FVNCECMRSLAZDX-NXEZZACHSA-N 1 1 320.374 2.729 20 5 DFBDMO Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262058628 280567502 /nfs/dbraw/zinc/56/75/02/280567502.db2.gz DRUSVBHMCKSASL-QMTHXVAHSA-N 1 1 300.362 2.625 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000178234707 281011204 /nfs/dbraw/zinc/01/12/04/281011204.db2.gz NTRVBGPYNPNDFT-UHFFFAOYSA-N 1 1 304.394 2.753 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332341365 281019623 /nfs/dbraw/zinc/01/96/23/281019623.db2.gz QZQUHAFCFVSLMO-CHWSQXEVSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000124994837 281194045 /nfs/dbraw/zinc/19/40/45/281194045.db2.gz BJZONSXJNRSRDZ-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000376741037 281672166 /nfs/dbraw/zinc/67/21/66/281672166.db2.gz CCKKLNJZSRBWGK-UHFFFAOYSA-N 1 1 321.768 2.990 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286613337 288641958 /nfs/dbraw/zinc/64/19/58/288641958.db2.gz BYGUCKGVQQQNAM-ZDUSSCGKSA-N 1 1 315.377 2.777 20 5 DFBDMO C[C@@H]1[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[N@H+]1C ZINC000436362802 297000008 /nfs/dbraw/zinc/00/00/08/297000008.db2.gz QDTVVRQVHWJWIA-BDAKNGLRSA-N 1 1 318.299 2.903 20 5 DFBDMO Cc1cccc(NCCNc2c3c(ccc2[N+](=O)[O-])NCC3)[nH+]1 ZINC000436381071 297000747 /nfs/dbraw/zinc/00/07/47/297000747.db2.gz HFUITIYDUBFZGE-UHFFFAOYSA-N 1 1 313.361 2.790 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1NC[C@H]1CCCC[N@H+]1C1CC1)CCN2 ZINC000436428973 297002718 /nfs/dbraw/zinc/00/27/18/297002718.db2.gz LEBGCOJSGCTWOX-CYBMUJFWSA-N 1 1 316.405 2.992 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000437538686 297063424 /nfs/dbraw/zinc/06/34/24/297063424.db2.gz RUOPFPCBMCBEFQ-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000369359042 294430519 /nfs/dbraw/zinc/43/05/19/294430519.db2.gz PQIWJSMPUMXZJE-JTQLQIEISA-N 1 1 321.768 2.761 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000441192537 297174884 /nfs/dbraw/zinc/17/48/84/297174884.db2.gz DTVQXKKJYNEYOW-CABCVRRESA-N 1 1 320.389 2.722 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441280033 297178042 /nfs/dbraw/zinc/17/80/42/297178042.db2.gz BZNGRXPAIBWUMY-LSDHHAIUSA-N 1 1 320.389 2.722 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000443954520 297229054 /nfs/dbraw/zinc/22/90/54/297229054.db2.gz CSEQEBLNFCIIQT-AAEUAGOBSA-N 1 1 320.393 2.816 20 5 DFBDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444637619 297242650 /nfs/dbraw/zinc/24/26/50/297242650.db2.gz ISKOWZAGGIATJY-GJZGRUSLSA-N 1 1 318.377 2.597 20 5 DFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444637619 297242651 /nfs/dbraw/zinc/24/26/51/297242651.db2.gz ISKOWZAGGIATJY-GJZGRUSLSA-N 1 1 318.377 2.597 20 5 DFBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000444750195 297248789 /nfs/dbraw/zinc/24/87/89/297248789.db2.gz YZSFRYGZVGJPBN-GDBMZVCRSA-N 1 1 322.405 2.703 20 5 DFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444775365 297250618 /nfs/dbraw/zinc/25/06/18/297250618.db2.gz ICOBVNJEPWOIER-INIZCTEOSA-N 1 1 318.377 2.598 20 5 DFBDMO Cc1nc(C)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000446842666 297288606 /nfs/dbraw/zinc/28/86/06/297288606.db2.gz GXOCJKQJLSHUNL-UHFFFAOYSA-N 1 1 317.374 2.834 20 5 DFBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C(C)(F)F ZINC000449411369 297461459 /nfs/dbraw/zinc/46/14/59/297461459.db2.gz AVDZJNKRHHKIPK-ZJUUUORDSA-N 1 1 315.320 2.945 20 5 DFBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C(C)(F)F ZINC000449411367 297461478 /nfs/dbraw/zinc/46/14/78/297461478.db2.gz AVDZJNKRHHKIPK-UWVGGRQHSA-N 1 1 315.320 2.945 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454142687 298125778 /nfs/dbraw/zinc/12/57/78/298125778.db2.gz INXDLZSSTGAZKU-UHFFFAOYSA-N 1 1 320.393 2.899 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454635021 298212455 /nfs/dbraw/zinc/21/24/55/298212455.db2.gz WLUVZTQHLXDXNR-ZDUSSCGKSA-N 1 1 322.409 2.687 20 5 DFBDMO COC(=O)[C@@H](CC(C)C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000510607602 300246925 /nfs/dbraw/zinc/24/69/25/300246925.db2.gz HUGPKXSFNAZCHC-OAHLLOKOSA-N 1 1 308.378 2.657 20 5 DFBDMO COC(=O)[C@@H](CC(C)C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000510607602 300246927 /nfs/dbraw/zinc/24/69/27/300246927.db2.gz HUGPKXSFNAZCHC-OAHLLOKOSA-N 1 1 308.378 2.657 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000515388403 300304302 /nfs/dbraw/zinc/30/43/02/300304302.db2.gz ATIKAWJITVONAJ-WBMJQRKESA-N 1 1 301.390 2.656 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000515388403 300304306 /nfs/dbraw/zinc/30/43/06/300304306.db2.gz ATIKAWJITVONAJ-WBMJQRKESA-N 1 1 301.390 2.656 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531911544 301118546 /nfs/dbraw/zinc/11/85/46/301118546.db2.gz KYXUSPHTKMTBRZ-UKRRQHHQSA-N 1 1 323.368 2.789 20 5 DFBDMO C[C@@H]1C[C@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000532582107 301160954 /nfs/dbraw/zinc/16/09/54/301160954.db2.gz NMZJQDNXLLQAAO-NEPJUHHUSA-N 1 1 319.361 2.623 20 5 DFBDMO COC(C)(C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000533342290 301197276 /nfs/dbraw/zinc/19/72/76/301197276.db2.gz YWBGMKMIZPZYBQ-UHFFFAOYSA-N 1 1 323.393 2.589 20 5 DFBDMO COc1cc(C[NH2+]C(C)(C)c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000546709785 301509541 /nfs/dbraw/zinc/50/95/41/301509541.db2.gz FBPQCWFNVDQFID-UHFFFAOYSA-N 1 1 322.340 2.501 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC000562307482 301960164 /nfs/dbraw/zinc/96/01/64/301960164.db2.gz MYURJTJHLDKDDE-CVEARBPZSA-N 1 1 323.368 2.789 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000563305204 302060782 /nfs/dbraw/zinc/06/07/82/302060782.db2.gz OKQVXONCOBRCGN-LBPRGKRZSA-N 1 1 300.362 2.897 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423670 302071204 /nfs/dbraw/zinc/07/12/04/302071204.db2.gz OGPHRKAZUYWFOE-CJNGLKHVSA-N 1 1 303.406 2.902 20 5 DFBDMO CCC[N@H+]1CC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582646 302142905 /nfs/dbraw/zinc/14/29/05/302142905.db2.gz FJPWNCJLMAVNPZ-CJNGLKHVSA-N 1 1 303.406 2.904 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000567486310 302363009 /nfs/dbraw/zinc/36/30/09/302363009.db2.gz FNWNLBROALYQML-LLVKDONJSA-N 1 1 302.334 2.711 20 5 DFBDMO C[C@@H](O)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000568097753 302418367 /nfs/dbraw/zinc/41/83/67/302418367.db2.gz MIVQJEMRPZVULN-BDJLRTHQSA-N 1 1 304.321 2.946 20 5 DFBDMO COCCO[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000179343705 316007768 /nfs/dbraw/zinc/00/77/68/316007768.db2.gz CDDQZSIKHSHGJU-HNNXBMFYSA-N 1 1 308.378 2.531 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179695050 316016326 /nfs/dbraw/zinc/01/63/26/316016326.db2.gz AEXVUZJCLSNSMQ-UHFFFAOYSA-N 1 1 321.421 2.982 20 5 DFBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183302058 316137582 /nfs/dbraw/zinc/13/75/82/316137582.db2.gz QECWKLQEQZFCSL-INIZCTEOSA-N 1 1 319.405 2.736 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449559599 317044741 /nfs/dbraw/zinc/04/47/41/317044741.db2.gz CBHYNDUJAXACPJ-OHRKKDJYSA-N 1 1 303.406 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ZINC000299515974 528990333 /nfs/dbraw/zinc/99/03/33/528990333.db2.gz CUUWCABAPFTVGB-UHFFFAOYSA-N 1 1 305.422 2.942 20 5 DFBDMO CC(C)[NH+]1CCC(N(C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299515974 528990337 /nfs/dbraw/zinc/99/03/37/528990337.db2.gz CUUWCABAPFTVGB-UHFFFAOYSA-N 1 1 305.422 2.942 20 5 DFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000305790162 529236101 /nfs/dbraw/zinc/23/61/01/529236101.db2.gz AZTBWRWFYADPNK-DZGCQCFKSA-N 1 1 308.378 2.729 20 5 DFBDMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331736857 529253950 /nfs/dbraw/zinc/25/39/50/529253950.db2.gz VJQRORWWJYKCBQ-JSGCOSHPSA-N 1 1 317.389 2.747 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H](C)OC ZINC000361574379 535706834 /nfs/dbraw/zinc/70/68/34/535706834.db2.gz VVJGGEZRAGXLKP-CYBMUJFWSA-N 1 1 323.393 2.589 20 5 DFBDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355597330 535820466 /nfs/dbraw/zinc/82/04/66/535820466.db2.gz DWMDDPYLTUIKQJ-CYBMUJFWSA-N 1 1 322.361 2.521 20 5 DFBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000330930985 529401917 /nfs/dbraw/zinc/40/19/17/529401917.db2.gz RNVDWULVIYHDPT-BXUZGUMPSA-N 1 1 323.418 2.749 20 5 DFBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000330930985 529401919 /nfs/dbraw/zinc/40/19/19/529401919.db2.gz RNVDWULVIYHDPT-BXUZGUMPSA-N 1 1 323.418 2.749 20 5 DFBDMO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCO1 ZINC000278726665 214358137 /nfs/dbraw/zinc/35/81/37/214358137.db2.gz UBWINAOFQHGSGI-ZIAGYGMSSA-N 1 1 314.769 2.532 20 5 DFBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000318611655 231173520 /nfs/dbraw/zinc/17/35/20/231173520.db2.gz SPMZWALVDRLCLL-MRVPVSSYSA-N 1 1 316.283 2.657 20 5 DFBDMO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1nccn1C ZINC000271678693 209118888 /nfs/dbraw/zinc/11/88/88/209118888.db2.gz HZLGSKHBBIGZJC-GFCCVEGCSA-N 1 1 304.350 2.578 20 5 DFBDMO COc1cc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])cc1C ZINC000596200396 398355521 /nfs/dbraw/zinc/35/55/21/398355521.db2.gz LDXTVIYRHWXPHG-LLVKDONJSA-N 1 1 302.334 2.535 20 5 DFBDMO COc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596245762 398366559 /nfs/dbraw/zinc/36/65/59/398366559.db2.gz DRZJUZCPNWBSDP-AOOOYVTPSA-N 1 1 313.785 2.786 20 5 DFBDMO COc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596245762 398366562 /nfs/dbraw/zinc/36/65/62/398366562.db2.gz DRZJUZCPNWBSDP-AOOOYVTPSA-N 1 1 313.785 2.786 20 5 DFBDMO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000459387243 299093307 /nfs/dbraw/zinc/09/33/07/299093307.db2.gz MRUHGVLDWIWCDJ-SNVBAGLBSA-N 1 1 314.345 2.819 20 5 DFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000305790788 529712049 /nfs/dbraw/zinc/71/20/49/529712049.db2.gz AZTBWRWFYADPNK-HIFRSBDPSA-N 1 1 308.378 2.729 20 5 DFBDMO C[C@H]1CC2(C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592183236 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2.998 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000585796346 398447590 /nfs/dbraw/zinc/44/75/90/398447590.db2.gz RJEYUUBKJYWONN-KBPBESRZSA-N 1 1 319.405 2.942 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000026159249 398450492 /nfs/dbraw/zinc/45/04/92/398450492.db2.gz FRHSDVCVFZQDMZ-GFCCVEGCSA-N 1 1 305.378 2.964 20 5 DFBDMO Cc1noc(C)c1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000166358740 282381843 /nfs/dbraw/zinc/38/18/43/282381843.db2.gz IVSVMJVSHJJVDY-UHFFFAOYSA-N 1 1 301.346 2.800 20 5 DFBDMO Cc1noc(C)c1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000166358740 282381844 /nfs/dbraw/zinc/38/18/44/282381844.db2.gz IVSVMJVSHJJVDY-UHFFFAOYSA-N 1 1 301.346 2.800 20 5 DFBDMO CC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000592770833 398482926 /nfs/dbraw/zinc/48/29/26/398482926.db2.gz DZTFMRUEBNXCQC-HOTGVXAUSA-N 1 1 317.389 2.789 20 5 DFBDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000030269495 398499258 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CON1CCC([N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000459578316 299138455 /nfs/dbraw/zinc/13/84/55/299138455.db2.gz ILRXQKVHUXOXPA-UHFFFAOYSA-N 1 1 313.785 2.706 20 5 DFBDMO CON1CCC([N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000459578316 299138458 /nfs/dbraw/zinc/13/84/58/299138458.db2.gz ILRXQKVHUXOXPA-UHFFFAOYSA-N 1 1 313.785 2.706 20 5 DFBDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593040813 398528688 /nfs/dbraw/zinc/52/86/88/398528688.db2.gz MLAXBDVLRUXRGI-MRXNPFEDSA-N 1 1 318.352 2.594 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589187095 398534681 /nfs/dbraw/zinc/53/46/81/398534681.db2.gz WUPCXJXICLVDFN-XFUCPCLHSA-N 1 1 314.385 2.963 20 5 DFBDMO Cc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000068906606 398537383 /nfs/dbraw/zinc/53/73/83/398537383.db2.gz RNAGQRIAIIWIHW-UHFFFAOYSA-N 1 1 319.405 2.898 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCCC[C@@H]1C ZINC000032732415 398537635 /nfs/dbraw/zinc/53/76/35/398537635.db2.gz FIQXUQIRGXNLSL-QWRGUYRKSA-N 1 1 311.407 2.649 20 5 DFBDMO O=[N+]([O-])c1ccccc1CN(Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000596978999 398539839 /nfs/dbraw/zinc/53/98/39/398539839.db2.gz CVYZRGZRTJYICX-UHFFFAOYSA-N 1 1 312.373 2.902 20 5 DFBDMO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593092099 398543480 /nfs/dbraw/zinc/54/34/80/398543480.db2.gz MMHQZCAZDYCEJB-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593092099 398543484 /nfs/dbraw/zinc/54/34/84/398543484.db2.gz MMHQZCAZDYCEJB-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO CC[C@@H]1C[C@H](C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000459619422 299149542 /nfs/dbraw/zinc/14/95/42/299149542.db2.gz IGFDWADJUDZKTJ-UKRRQHHQSA-N 1 1 320.389 2.863 20 5 DFBDMO CCc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593188764 398567410 /nfs/dbraw/zinc/56/74/10/398567410.db2.gz PJSAIFHEBZGQHY-AGIUHOORSA-N 1 1 319.405 2.710 20 5 DFBDMO C[C@H](C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000593189184 398567521 /nfs/dbraw/zinc/56/75/21/398567521.db2.gz JPTXTZBYFOQJTA-XJFOESAGSA-N 1 1 319.405 2.638 20 5 DFBDMO C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000069499786 398573075 /nfs/dbraw/zinc/57/30/75/398573075.db2.gz IVRBJXBYHJDWLM-UHFFFAOYSA-N 1 1 309.366 2.572 20 5 DFBDMO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000287074035 219299049 /nfs/dbraw/zinc/29/90/49/219299049.db2.gz VYOGJHWBXHVNCW-CYBMUJFWSA-N 1 1 306.391 2.936 20 5 DFBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000287074035 219299051 /nfs/dbraw/zinc/29/90/51/219299051.db2.gz VYOGJHWBXHVNCW-CYBMUJFWSA-N 1 1 306.391 2.936 20 5 DFBDMO Cc1[nH+]ccn1-c1cncc(NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000092925666 398608276 /nfs/dbraw/zinc/60/82/76/398608276.db2.gz KTNKSFLQMPQFBJ-UHFFFAOYSA-N 1 1 324.344 2.534 20 5 DFBDMO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)ccc1[N+](=O)[O-] ZINC000459683311 299164187 /nfs/dbraw/zinc/16/41/87/299164187.db2.gz TXYFLKQRTIJDFO-UKRRQHHQSA-N 1 1 318.373 2.604 20 5 DFBDMO Cc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000043084374 398611787 /nfs/dbraw/zinc/61/17/87/398611787.db2.gz XMBIRQXGLOMDHI-UONOGXRCSA-N 1 1 319.405 2.896 20 5 DFBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000459694644 299166542 /nfs/dbraw/zinc/16/65/42/299166542.db2.gz AFVNYPMODLMYDD-AWEZNQCLSA-N 1 1 308.378 2.994 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000150787547 186065819 /nfs/dbraw/zinc/06/58/19/186065819.db2.gz RTKXBDKFTDSKII-ZDUSSCGKSA-N 1 1 315.377 2.899 20 5 DFBDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000459694646 299166243 /nfs/dbraw/zinc/16/62/43/299166243.db2.gz AFVNYPMODLMYDD-CQSZACIVSA-N 1 1 308.378 2.994 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@H]1CCn2cc[nH+]c2C1 ZINC000593470357 398639164 /nfs/dbraw/zinc/63/91/64/398639164.db2.gz JKNAINCEYBTIJL-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N[C@@H]1CCn2cc[nH+]c2C1 ZINC000593470355 398639334 /nfs/dbraw/zinc/63/93/34/398639334.db2.gz JKNAINCEYBTIJL-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000177878305 186197715 /nfs/dbraw/zinc/19/77/15/186197715.db2.gz BTRAYRCSMWLPJK-UTUOFQBUSA-N 1 1 321.377 2.661 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000173316494 186176215 /nfs/dbraw/zinc/17/62/15/186176215.db2.gz IPFYIEMLVIGCDN-CQSZACIVSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683356 398641771 /nfs/dbraw/zinc/64/17/71/398641771.db2.gz QXLDIYOAHHOYDD-CQSZACIVSA-N 1 1 319.405 2.608 20 5 DFBDMO CC1(C)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181912533 186218384 /nfs/dbraw/zinc/21/83/84/186218384.db2.gz TXVOQTFCBUZSCK-CQSZACIVSA-N 1 1 322.405 2.847 20 5 DFBDMO CC1([C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183869682 186225621 /nfs/dbraw/zinc/22/56/21/186225621.db2.gz ZLBPZHXXHAYJDJ-GFCCVEGCSA-N 1 1 312.391 2.631 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000072871791 398643651 /nfs/dbraw/zinc/64/36/51/398643651.db2.gz GJRYIDRJUMHYGS-NTZNESFSSA-N 1 1 305.378 2.818 20 5 DFBDMO CC(=O)c1ccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267839883 186372205 /nfs/dbraw/zinc/37/22/05/186372205.db2.gz ANNRMZKNXGBBJN-MFKMUULPSA-N 1 1 303.362 2.835 20 5 DFBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302788225 282747635 /nfs/dbraw/zinc/74/76/35/282747635.db2.gz CBKQGDIZPIGENB-GFCCVEGCSA-N 1 1 318.352 2.927 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000590762869 398669313 /nfs/dbraw/zinc/66/93/13/398669313.db2.gz BZAYIMGIRQQWJZ-QGZVFWFLSA-N 1 1 320.389 2.866 20 5 DFBDMO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000459766144 299185619 /nfs/dbraw/zinc/18/56/19/299185619.db2.gz OXJUNQQNWMRGKV-LLVKDONJSA-N 1 1 306.341 2.530 20 5 DFBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000459766144 299185621 /nfs/dbraw/zinc/18/56/21/299185621.db2.gz OXJUNQQNWMRGKV-LLVKDONJSA-N 1 1 306.341 2.530 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(C)(C)C1 ZINC000072828151 191234735 /nfs/dbraw/zinc/23/47/35/191234735.db2.gz XDPXKAMZCSOGQZ-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO Cc1sc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597716151 398685313 /nfs/dbraw/zinc/68/53/13/398685313.db2.gz ONRJYLXIWWKRCH-HNNXBMFYSA-N 1 1 323.418 2.523 20 5 DFBDMO Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000174186167 198302561 /nfs/dbraw/zinc/30/25/61/198302561.db2.gz PZESXISEBGTAFS-TZMCWYRMSA-N 1 1 320.393 2.850 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174361810 198324208 /nfs/dbraw/zinc/32/42/08/198324208.db2.gz KBRZQQYNCZNHQP-DOMZBBRYSA-N 1 1 320.393 2.789 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597854802 398704421 /nfs/dbraw/zinc/70/44/21/398704421.db2.gz LWRAVEXXXRCDNG-NSHDSACASA-N 1 1 323.368 2.584 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000174862763 198394300 /nfs/dbraw/zinc/39/43/00/198394300.db2.gz TWRMSBNFLGUJSR-UHFFFAOYSA-N 1 1 318.352 2.638 20 5 DFBDMO CCCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046773655 398718231 /nfs/dbraw/zinc/71/82/31/398718231.db2.gz YHZAZMTWJFMMCT-HNNXBMFYSA-N 1 1 308.378 2.599 20 5 DFBDMO CCOc1cc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000277055575 213266397 /nfs/dbraw/zinc/26/63/97/213266397.db2.gz ITHMAPVZBUGXNI-DABQJJPHSA-N 1 1 308.378 2.727 20 5 DFBDMO Cc1c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000046859295 398722531 /nfs/dbraw/zinc/72/25/31/398722531.db2.gz BVVKBMXMHZZOFQ-LBPRGKRZSA-N 1 1 305.378 2.507 20 5 DFBDMO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@@H+](C)C1 ZINC000597945027 398725646 /nfs/dbraw/zinc/72/56/46/398725646.db2.gz GQXBTMAKNRQPHD-ZDUSSCGKSA-N 1 1 317.345 2.507 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111294327 398726010 /nfs/dbraw/zinc/72/60/10/398726010.db2.gz SXCWVQWFCWBMJD-BBRMVZONSA-N 1 1 317.389 2.743 20 5 DFBDMO C[C@@H](O)C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000594061944 398735393 /nfs/dbraw/zinc/73/53/93/398735393.db2.gz DQZKSHQFECLMGC-LLVKDONJSA-N 1 1 317.345 2.595 20 5 DFBDMO C[C@@H](O)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000594061944 398735395 /nfs/dbraw/zinc/73/53/95/398735395.db2.gz DQZKSHQFECLMGC-LLVKDONJSA-N 1 1 317.345 2.595 20 5 DFBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594094194 398742217 /nfs/dbraw/zinc/74/22/17/398742217.db2.gz IGFUXJKYNJUGIK-LSDHHAIUSA-N 1 1 318.377 2.733 20 5 DFBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047265593 398742333 /nfs/dbraw/zinc/74/23/33/398742333.db2.gz YRBNGXZVUVXIJQ-CQSZACIVSA-N 1 1 312.373 2.873 20 5 DFBDMO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000047264499 398742401 /nfs/dbraw/zinc/74/24/01/398742401.db2.gz IRUHYTXIBIDGPR-UHFFFAOYSA-N 1 1 317.414 2.974 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000047405021 398747217 /nfs/dbraw/zinc/74/72/17/398747217.db2.gz BCZQISPCMZIWMB-LLVKDONJSA-N 1 1 308.338 2.647 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000591478558 398767527 /nfs/dbraw/zinc/76/75/27/398767527.db2.gz HNSYPAKVGFBOSE-HNNXBMFYSA-N 1 1 322.405 2.848 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591578312 398773895 /nfs/dbraw/zinc/77/38/95/398773895.db2.gz QHIWGLBOCDJPRZ-GXTWGEPZSA-N 1 1 307.394 2.786 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276922142 213176763 /nfs/dbraw/zinc/17/67/63/213176763.db2.gz PGGXUOMWJVFOHZ-MLGOLLRUSA-N 1 1 308.378 2.850 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000276899257 213162485 /nfs/dbraw/zinc/16/24/85/213162485.db2.gz LOEMZNZSRIISAS-DZGCQCFKSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1cc(CN2CCC[N@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000276883098 213153872 /nfs/dbraw/zinc/15/38/72/213153872.db2.gz JCBDEGPTUTVUEQ-UHFFFAOYSA-N 1 1 321.421 2.910 20 5 DFBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000075667359 398816246 /nfs/dbraw/zinc/81/62/46/398816246.db2.gz KZUFQMAISIXTMY-CYBMUJFWSA-N 1 1 311.357 2.503 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075677491 398817043 /nfs/dbraw/zinc/81/70/43/398817043.db2.gz CTADZEHVABIIGA-QWHCGFSZSA-N 1 1 305.378 2.646 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075677491 398817045 /nfs/dbraw/zinc/81/70/45/398817045.db2.gz CTADZEHVABIIGA-QWHCGFSZSA-N 1 1 305.378 2.646 20 5 DFBDMO CC(C)[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179658368 199071059 /nfs/dbraw/zinc/07/10/59/199071059.db2.gz LPFYYVGKQHTYJO-UHFFFAOYSA-N 1 1 317.345 2.551 20 5 DFBDMO CC(C)[N@@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179658368 199071061 /nfs/dbraw/zinc/07/10/61/199071061.db2.gz LPFYYVGKQHTYJO-UHFFFAOYSA-N 1 1 317.345 2.551 20 5 DFBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000598562135 398832107 /nfs/dbraw/zinc/83/21/07/398832107.db2.gz UNDYKRVJQZIZMD-GFCCVEGCSA-N 1 1 323.418 2.508 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598647040 398846927 /nfs/dbraw/zinc/84/69/27/398846927.db2.gz JSVZRGQGKDEEJZ-CQSZACIVSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000467780199 299274519 /nfs/dbraw/zinc/27/45/19/299274519.db2.gz MHDVFXWTTBBTLM-YPMHNXCESA-N 1 1 321.377 2.666 20 5 DFBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000052607866 398847692 /nfs/dbraw/zinc/84/76/92/398847692.db2.gz QVJOTZFCDZGTQQ-UHFFFAOYSA-N 1 1 308.378 2.865 20 5 DFBDMO COc1cc(C[N@H+]2CC(C)(C)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000598648791 398847813 /nfs/dbraw/zinc/84/78/13/398847813.db2.gz SFVFUEPPSXIHGT-ZDUSSCGKSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)OC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153224212 283358567 /nfs/dbraw/zinc/35/85/67/283358567.db2.gz BWJTZEPOOGOJFZ-UHFFFAOYSA-N 1 1 306.362 2.901 20 5 DFBDMO Cc1c(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000180604969 199183695 /nfs/dbraw/zinc/18/36/95/199183695.db2.gz XCKPHCQYISDPLH-OAHLLOKOSA-N 1 1 320.393 2.707 20 5 DFBDMO Cn1ncc(C2CCC2)c1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594984742 398886386 /nfs/dbraw/zinc/88/63/86/398886386.db2.gz SEJQUTOSHBCONS-UHFFFAOYSA-N 1 1 306.391 2.947 20 5 DFBDMO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000595003438 398889453 /nfs/dbraw/zinc/88/94/53/398889453.db2.gz GQLBBLHOONSDRS-NSHDSACASA-N 1 1 317.345 2.858 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004657 398889975 /nfs/dbraw/zinc/88/99/75/398889975.db2.gz QXAAWBFYBCSFHC-GXTWGEPZSA-N 1 1 307.394 2.738 20 5 DFBDMO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004657 398889977 /nfs/dbraw/zinc/88/99/77/398889977.db2.gz QXAAWBFYBCSFHC-GXTWGEPZSA-N 1 1 307.394 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C(C)C ZINC000140425575 398890702 /nfs/dbraw/zinc/89/07/02/398890702.db2.gz KGYALILLFJISIR-CQSZACIVSA-N 1 1 321.377 2.662 20 5 DFBDMO CCn1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000595067772 398901323 /nfs/dbraw/zinc/90/13/23/398901323.db2.gz IDNDFPIKALBAPO-MRXNPFEDSA-N 1 1 315.377 2.764 20 5 DFBDMO COc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999965 398906547 /nfs/dbraw/zinc/90/65/47/398906547.db2.gz PJTPGYGZHXIWGC-OAHLLOKOSA-N 1 1 319.405 2.710 20 5 DFBDMO COc1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999965 398906548 /nfs/dbraw/zinc/90/65/48/398906548.db2.gz PJTPGYGZHXIWGC-OAHLLOKOSA-N 1 1 319.405 2.710 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC2(CC2)C1 ZINC000186996685 200045517 /nfs/dbraw/zinc/04/55/17/200045517.db2.gz OAHAHYRNISDQAR-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC2(CC2)C1 ZINC000186996685 200045519 /nfs/dbraw/zinc/04/55/19/200045519.db2.gz OAHAHYRNISDQAR-LBPRGKRZSA-N 1 1 303.362 2.798 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186962281 200038282 /nfs/dbraw/zinc/03/82/82/200038282.db2.gz WJZKYABFFAEMGL-UHFFFAOYSA-N 1 1 303.362 2.718 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC2(CC2)C1 ZINC000186962281 200038284 /nfs/dbraw/zinc/03/82/84/200038284.db2.gz WJZKYABFFAEMGL-UHFFFAOYSA-N 1 1 303.362 2.718 20 5 DFBDMO O=[N+]([O-])c1c(NC[C@@H]2CC[N@H+]2C2CCCC2)nc2sccn21 ZINC000599163146 398932084 /nfs/dbraw/zinc/93/20/84/398932084.db2.gz CAFFGCMEEFHNQF-NSHDSACASA-N 1 1 321.406 2.733 20 5 DFBDMO CO[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCOC1 ZINC000595403835 398932900 /nfs/dbraw/zinc/93/29/00/398932900.db2.gz JKAVUFGFEVEIKB-WMLDXEAASA-N 1 1 320.389 2.611 20 5 DFBDMO COc1cc(N2CCC[N@@H+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000078255966 398944157 /nfs/dbraw/zinc/94/41/57/398944157.db2.gz ZKLZEGNBKQZRKP-UHFFFAOYSA-N 1 1 307.394 2.772 20 5 DFBDMO C[N@H+]1CCC[C@]2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505818 398953434 /nfs/dbraw/zinc/95/34/34/398953434.db2.gz VRHNZTTXZZBBIA-INIZCTEOSA-N 1 1 307.369 2.652 20 5 DFBDMO Cc1noc(C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)c1[N+](=O)[O-] ZINC000595520900 398956162 /nfs/dbraw/zinc/95/61/62/398956162.db2.gz PFZZKKHGGOBLFE-GFCCVEGCSA-N 1 1 302.334 2.584 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)c1[N+](=O)[O-] ZINC000595520900 398956166 /nfs/dbraw/zinc/95/61/66/398956166.db2.gz PFZZKKHGGOBLFE-GFCCVEGCSA-N 1 1 302.334 2.584 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1Cl ZINC000078455380 398957275 /nfs/dbraw/zinc/95/72/75/398957275.db2.gz ZZBOZEKXPRUPKG-LLVKDONJSA-N 1 1 312.801 2.954 20 5 DFBDMO CC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000595536940 398959366 /nfs/dbraw/zinc/95/93/66/398959366.db2.gz XZGXPOJAYCZXAF-CYBMUJFWSA-N 1 1 307.394 2.520 20 5 DFBDMO CC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000595536941 398959387 /nfs/dbraw/zinc/95/93/87/398959387.db2.gz XZGXPOJAYCZXAF-ZDUSSCGKSA-N 1 1 307.394 2.520 20 5 DFBDMO COc1cc(C[N@@H+](CCO)CC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000613378983 398966374 /nfs/dbraw/zinc/96/63/74/398966374.db2.gz SQJHGEJRHWDOIK-UHFFFAOYSA-N 1 1 314.357 2.583 20 5 DFBDMO CC(C)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000193215194 201007773 /nfs/dbraw/zinc/00/77/73/201007773.db2.gz MABBIRXGBVXUKV-HNNXBMFYSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078625757 398974641 /nfs/dbraw/zinc/97/46/41/398974641.db2.gz MGRCKQZDOVQAHL-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DFBDMO O=C(CC[N@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000595565116 398974918 /nfs/dbraw/zinc/97/49/18/398974918.db2.gz BEAOZORYSOFTDW-WFASDCNBSA-N 1 1 303.362 2.798 20 5 DFBDMO Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000193667865 201099723 /nfs/dbraw/zinc/09/97/23/201099723.db2.gz GBLMMGZJLIVHRV-CYBMUJFWSA-N 1 1 320.393 2.899 20 5 DFBDMO COC(=O)CC1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000281495806 216340185 /nfs/dbraw/zinc/34/01/85/216340185.db2.gz QVMAACPRCSTFLN-UHFFFAOYSA-N 1 1 318.373 2.903 20 5 DFBDMO CCOC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193962235 201155019 /nfs/dbraw/zinc/15/50/19/201155019.db2.gz XLUMJWKNWGTPTB-GFCCVEGCSA-N 1 1 323.349 2.752 20 5 DFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193962235 201155022 /nfs/dbraw/zinc/15/50/22/201155022.db2.gz XLUMJWKNWGTPTB-GFCCVEGCSA-N 1 1 323.349 2.752 20 5 DFBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000600230112 399014742 /nfs/dbraw/zinc/01/47/42/399014742.db2.gz ZKCLTTUENCZPRW-ZDUSSCGKSA-N 1 1 323.418 2.793 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+](C3CC3)C3CC3)n2)c1 ZINC000599594679 399026175 /nfs/dbraw/zinc/02/61/75/399026175.db2.gz RCSGQJFEMNHPQP-UHFFFAOYSA-N 1 1 300.318 2.772 20 5 DFBDMO COc1ccc(OCC[NH2+][C@@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000595668689 399026548 /nfs/dbraw/zinc/02/65/48/399026548.db2.gz OJWPAXFPTJPJJD-JTQLQIEISA-N 1 1 323.374 2.790 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000595677639 399031317 /nfs/dbraw/zinc/03/13/17/399031317.db2.gz PPHDDYUVQLHTHU-HIFRSBDPSA-N 1 1 322.405 2.976 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000595699834 399042784 /nfs/dbraw/zinc/04/27/84/399042784.db2.gz ONMUCQOOBPVRLF-HIFRSBDPSA-N 1 1 322.405 2.976 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000599656174 399049081 /nfs/dbraw/zinc/04/90/81/399049081.db2.gz ZZGYDZOFNVKHEA-OAGGEKHMSA-N 1 1 318.373 2.758 20 5 DFBDMO CC(C)N(C(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000271796577 209223711 /nfs/dbraw/zinc/22/37/11/209223711.db2.gz VUMQJWBBOGBKPR-ZDUSSCGKSA-N 1 1 307.394 2.891 20 5 DFBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000599695192 399067409 /nfs/dbraw/zinc/06/74/09/399067409.db2.gz JZNMMTUROGLUMF-HNNXBMFYSA-N 1 1 318.377 2.733 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000595749116 399069447 /nfs/dbraw/zinc/06/94/47/399069447.db2.gz DYAQOHZPBARMJP-HNNXBMFYSA-N 1 1 310.781 2.985 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755265 399069745 /nfs/dbraw/zinc/06/97/45/399069745.db2.gz JXFTTXWQEKSDTI-STQMWFEESA-N 1 1 323.368 2.993 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000595753316 399070341 /nfs/dbraw/zinc/07/03/41/399070341.db2.gz YOQHHDDPERFNBB-QGZVFWFLSA-N 1 1 320.389 2.601 20 5 DFBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595782248 399082805 /nfs/dbraw/zinc/08/28/05/399082805.db2.gz IGNORQWKIRPRFS-VXGBXAGGSA-N 1 1 305.378 2.704 20 5 DFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618324075 399082884 /nfs/dbraw/zinc/08/28/84/399082884.db2.gz YWUDTNRNVBCNST-INIZCTEOSA-N 1 1 319.361 2.863 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419339525 296135768 /nfs/dbraw/zinc/13/57/68/296135768.db2.gz UQCWQSNJKRXCCO-HUUCEWRRSA-N 1 1 321.421 2.903 20 5 DFBDMO C[C@H]1[C@@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000419369997 296137368 /nfs/dbraw/zinc/13/73/68/296137368.db2.gz ISJWAULJDYSJHG-JHJVBQTASA-N 1 1 305.378 2.534 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419380425 296137995 /nfs/dbraw/zinc/13/79/95/296137995.db2.gz XKJOHRNBAFPMAR-YVECIDJPSA-N 1 1 305.378 2.898 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419380422 296138202 /nfs/dbraw/zinc/13/82/02/296138202.db2.gz XKJOHRNBAFPMAR-FDYHWXHSSA-N 1 1 305.378 2.898 20 5 DFBDMO CC[C@@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339100318 284137092 /nfs/dbraw/zinc/13/70/92/284137092.db2.gz LAPKDHZFWZDDHR-CYBMUJFWSA-N 1 1 318.295 2.960 20 5 DFBDMO CC[C@@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339100318 284137094 /nfs/dbraw/zinc/13/70/94/284137094.db2.gz LAPKDHZFWZDDHR-CYBMUJFWSA-N 1 1 318.295 2.960 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NCCOc1ccccc1[N+](=O)[O-] ZINC000595873609 399119117 /nfs/dbraw/zinc/11/91/17/399119117.db2.gz NOCLIYSNUUXONX-UHFFFAOYSA-N 1 1 309.410 2.684 20 5 DFBDMO CCCN(C)CC(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000595873609 399119119 /nfs/dbraw/zinc/11/91/19/399119119.db2.gz NOCLIYSNUUXONX-UHFFFAOYSA-N 1 1 309.410 2.684 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534330 193266263 /nfs/dbraw/zinc/26/62/63/193266263.db2.gz LNXPRRFVGGIKSL-GFCCVEGCSA-N 1 1 302.334 2.578 20 5 DFBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000060361127 399125798 /nfs/dbraw/zinc/12/57/98/399125798.db2.gz KRCYIOPEHFGOCI-HNNXBMFYSA-N 1 1 319.405 2.579 20 5 DFBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900970 399127556 /nfs/dbraw/zinc/12/75/56/399127556.db2.gz QNIZTMLBZPAJPN-CQSZACIVSA-N 1 1 319.405 2.512 20 5 DFBDMO Cc1nn(C)c(NCCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000060817381 399143889 /nfs/dbraw/zinc/14/38/89/399143889.db2.gz ODZXCMKZDCFNJB-UHFFFAOYSA-N 1 1 317.393 2.571 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264943132 204291136 /nfs/dbraw/zinc/29/11/36/204291136.db2.gz IBWGDHHKSKWVAZ-CYBMUJFWSA-N 1 1 305.378 2.589 20 5 DFBDMO O=[N+]([O-])c1c(NC[C@H]2CC[NH2+]CC2(F)F)ccc2ncccc21 ZINC000420291532 296170190 /nfs/dbraw/zinc/17/01/90/296170190.db2.gz VRUDNTXWJPWHKU-SNVBAGLBSA-N 1 1 322.315 2.800 20 5 DFBDMO Cc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c([N+](=O)[O-])s1 ZINC000596059050 399159030 /nfs/dbraw/zinc/15/90/30/399159030.db2.gz MFQSGKMPBCKDPJ-GFCCVEGCSA-N 1 1 313.423 2.733 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000266161429 205149027 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DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000016446268 182044934 /nfs/dbraw/zinc/04/49/34/182044934.db2.gz QFAHNBSYDVFOTR-GFCCVEGCSA-N 1 1 321.377 2.664 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000016446268 182044936 /nfs/dbraw/zinc/04/49/36/182044936.db2.gz QFAHNBSYDVFOTR-GFCCVEGCSA-N 1 1 321.377 2.664 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000016446269 182045353 /nfs/dbraw/zinc/04/53/53/182045353.db2.gz QFAHNBSYDVFOTR-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000016446269 182045354 /nfs/dbraw/zinc/04/53/54/182045354.db2.gz QFAHNBSYDVFOTR-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000342636015 284383065 /nfs/dbraw/zinc/38/30/65/284383065.db2.gz LCQJLPLNNZXDSV-UHFFFAOYSA-N 1 1 303.318 2.648 20 5 DFBDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000267020743 205751779 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COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602458524 399449704 /nfs/dbraw/zinc/44/97/04/399449704.db2.gz NEDKADAMJMHYAZ-AWEZNQCLSA-N 1 1 316.361 2.674 20 5 DFBDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602458524 399449705 /nfs/dbraw/zinc/44/97/05/399449705.db2.gz NEDKADAMJMHYAZ-AWEZNQCLSA-N 1 1 316.361 2.674 20 5 DFBDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254670 399451902 /nfs/dbraw/zinc/45/19/02/399451902.db2.gz QDQJZJWARVXVDW-ZDUSSCGKSA-N 1 1 306.362 2.986 20 5 DFBDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602470542 399453061 /nfs/dbraw/zinc/45/30/61/399453061.db2.gz HPAULZYSIMXGKL-UHFFFAOYSA-N 1 1 320.368 2.922 20 5 DFBDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602471277 399453473 /nfs/dbraw/zinc/45/34/73/399453473.db2.gz AZGZSEZXZIAWPR-TZMCWYRMSA-N 1 1 300.362 2.706 20 5 DFBDMO CO[C@]1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCOC1 ZINC000602440684 399445417 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399485939 /nfs/dbraw/zinc/48/59/39/399485939.db2.gz DKAQEWITVJUQSO-CABCVRRESA-N 1 1 319.405 2.662 20 5 DFBDMO Cc1cccc(C2=CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])CC2)c1 ZINC000602608467 399489383 /nfs/dbraw/zinc/48/93/83/399489383.db2.gz VBYPLVIFCCDEIA-UHFFFAOYSA-N 1 1 312.373 2.926 20 5 DFBDMO Cc1cccc(C2=CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])CC2)c1 ZINC000602608467 399489389 /nfs/dbraw/zinc/48/93/89/399489389.db2.gz VBYPLVIFCCDEIA-UHFFFAOYSA-N 1 1 312.373 2.926 20 5 DFBDMO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422784146 296332350 /nfs/dbraw/zinc/33/23/50/296332350.db2.gz IFBJEWVNOFRRGZ-YOEHRIQHSA-N 1 1 313.401 2.685 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000602623806 399494359 /nfs/dbraw/zinc/49/43/59/399494359.db2.gz QWZYBJQLVFDGDN-RNCFNFMXSA-N 1 1 318.295 2.816 20 5 DFBDMO Cc1ccc([C@@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)c(C)c1 ZINC000602646504 399501126 /nfs/dbraw/zinc/50/11/26/399501126.db2.gz ADODAJUIQBXZBT-CQSZACIVSA-N 1 1 314.389 2.935 20 5 DFBDMO CC(C)[N@@H+]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000611708971 399508358 /nfs/dbraw/zinc/50/83/58/399508358.db2.gz OUCRJXXCADOLMW-NHYWBVRUSA-N 1 1 315.377 2.679 20 5 DFBDMO CC(C)[N@H+](C)C[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602671203 399513751 /nfs/dbraw/zinc/51/37/51/399513751.db2.gz SGBKHCXFQCFUQM-NSHDSACASA-N 1 1 306.366 2.554 20 5 DFBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000119673453 195015130 /nfs/dbraw/zinc/01/51/30/195015130.db2.gz WFSQPSPXXKNGKO-UHFFFAOYSA-N 1 1 308.378 2.863 20 5 DFBDMO CC[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H](C)CO ZINC000602677143 399516545 /nfs/dbraw/zinc/51/65/45/399516545.db2.gz UUSJZSDAWLUVDA-ZETCQYMHSA-N 1 1 323.212 2.622 20 5 DFBDMO CC[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H](C)CO ZINC000602677143 399516547 /nfs/dbraw/zinc/51/65/47/399516547.db2.gz UUSJZSDAWLUVDA-ZETCQYMHSA-N 1 1 323.212 2.622 20 5 DFBDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602686805 399520552 /nfs/dbraw/zinc/52/05/52/399520552.db2.gz FCAPYWOOERCTHH-NSHDSACASA-N 1 1 306.341 2.530 20 5 DFBDMO CC[N@H+]1CC[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602696046 399524696 /nfs/dbraw/zinc/52/46/96/399524696.db2.gz ZTMWMJHLFVIRSJ-GFCCVEGCSA-N 1 1 317.311 2.797 20 5 DFBDMO CCN1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602696046 399524697 /nfs/dbraw/zinc/52/46/97/399524697.db2.gz ZTMWMJHLFVIRSJ-GFCCVEGCSA-N 1 1 317.311 2.797 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cn2cncn2)c(Cl)c1 ZINC000611782831 399525583 /nfs/dbraw/zinc/52/55/83/399525583.db2.gz KYRJEHSZVONTIZ-ZDUSSCGKSA-N 1 1 321.768 2.504 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2Cn2cncn2)c(Cl)c1 ZINC000611782831 399525586 /nfs/dbraw/zinc/52/55/86/399525586.db2.gz KYRJEHSZVONTIZ-ZDUSSCGKSA-N 1 1 321.768 2.504 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@]2(C)CCCO)cc1[N+](=O)[O-] ZINC000271987999 209362638 /nfs/dbraw/zinc/36/26/38/209362638.db2.gz DFXGLBNBAWLAMK-MRXNPFEDSA-N 1 1 308.378 2.730 20 5 DFBDMO COc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000318594178 533038725 /nfs/dbraw/zinc/03/87/25/533038725.db2.gz IURFIGVCUTWASP-MNOVXSKESA-N 1 1 309.341 2.781 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000269651901 285093848 /nfs/dbraw/zinc/09/38/48/285093848.db2.gz QRDZTQHSSJXWAR-VIFPVBQESA-N 1 1 308.288 2.980 20 5 DFBDMO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423012205 296367542 /nfs/dbraw/zinc/36/75/42/296367542.db2.gz KHUVNIAVDZKEQA-KBXCAEBGSA-N 1 1 313.401 2.685 20 5 DFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000288661960 220331235 /nfs/dbraw/zinc/33/12/35/220331235.db2.gz BSZNUZFFAIDUGP-QGZVFWFLSA-N 1 1 322.405 2.978 20 5 DFBDMO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000158641297 197290287 /nfs/dbraw/zinc/29/02/87/197290287.db2.gz ONRBCXOJFWUGSJ-GJZGRUSLSA-N 1 1 319.405 2.520 20 5 DFBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000602765939 399562028 /nfs/dbraw/zinc/56/20/28/399562028.db2.gz NBCCSUCRZBCHNQ-UHFFFAOYSA-N 1 1 318.377 2.630 20 5 DFBDMO Nc1ccc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000286531453 219038167 /nfs/dbraw/zinc/03/81/67/219038167.db2.gz YGCGGQJSLONLKZ-UHFFFAOYSA-N 1 1 318.402 2.709 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3cn[nH]c3C1)CCC2 ZINC000365735535 285145217 /nfs/dbraw/zinc/14/52/17/285145217.db2.gz LMGCRYOAOHMAPL-CZUORRHYSA-N 1 1 312.373 2.842 20 5 DFBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000602779798 399569104 /nfs/dbraw/zinc/56/91/04/399569104.db2.gz RJGGDZWCCSAIMI-GFCCVEGCSA-N 1 1 318.377 2.888 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000602782826 399569932 /nfs/dbraw/zinc/56/99/32/399569932.db2.gz XIMYVPSVZNADSG-LLVKDONJSA-N 1 1 318.352 2.858 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000602782826 399569935 /nfs/dbraw/zinc/56/99/35/399569935.db2.gz XIMYVPSVZNADSG-LLVKDONJSA-N 1 1 318.352 2.858 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000602779863 399569949 /nfs/dbraw/zinc/56/99/49/399569949.db2.gz SYDCGCJJFZBLCN-BLLLJJGKSA-N 1 1 300.362 2.793 20 5 DFBDMO CCOc1ccccc1[C@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602802194 399581397 /nfs/dbraw/zinc/58/13/97/399581397.db2.gz PQWQNYOXYCJKEW-NSHDSACASA-N 1 1 304.350 2.578 20 5 DFBDMO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602803012 399581593 /nfs/dbraw/zinc/58/15/93/399581593.db2.gz UUILWOCEODAACC-GFCCVEGCSA-N 1 1 318.377 2.966 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2F)C2CC2)c1 ZINC000157447255 197188407 /nfs/dbraw/zinc/18/84/07/197188407.db2.gz UFFQUNATMQFYKX-UHFFFAOYSA-N 1 1 304.325 2.595 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2F)C2CC2)c1 ZINC000157447255 197188409 /nfs/dbraw/zinc/18/84/09/197188409.db2.gz UFFQUNATMQFYKX-UHFFFAOYSA-N 1 1 304.325 2.595 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000602822162 399588744 /nfs/dbraw/zinc/58/87/44/399588744.db2.gz ZHYCPIADTZNAIV-UHFFFAOYSA-N 1 1 314.389 2.775 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000363170831 285189572 /nfs/dbraw/zinc/18/95/72/285189572.db2.gz OOVNQUJIPRWRTA-HNNXBMFYSA-N 1 1 322.315 2.907 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000363170831 285189576 /nfs/dbraw/zinc/18/95/76/285189576.db2.gz OOVNQUJIPRWRTA-HNNXBMFYSA-N 1 1 322.315 2.907 20 5 DFBDMO CC(C)[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1F ZINC000602881371 399613799 /nfs/dbraw/zinc/61/37/99/399613799.db2.gz DTLGLZVXASQYEC-CQSZACIVSA-N 1 1 306.341 2.954 20 5 DFBDMO Cc1ccc(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000289639443 221121831 /nfs/dbraw/zinc/12/18/31/221121831.db2.gz XJSQYGGMZHWMBM-UHFFFAOYSA-N 1 1 312.373 2.926 20 5 DFBDMO Cc1ccc(C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000289639443 221121833 /nfs/dbraw/zinc/12/18/33/221121833.db2.gz XJSQYGGMZHWMBM-UHFFFAOYSA-N 1 1 312.373 2.926 20 5 DFBDMO COC(=O)[C@@]1(C)C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602931567 399631308 /nfs/dbraw/zinc/63/13/08/399631308.db2.gz OGKKYYYVNOPDRR-OZVIIMIRSA-N 1 1 306.362 2.787 20 5 DFBDMO Cc1ccc(C[NH2+]Cc2ncccc2N(C)C)cc1[N+](=O)[O-] ZINC000289890528 221294935 /nfs/dbraw/zinc/29/49/35/221294935.db2.gz SRPQYGZQAWISSI-UHFFFAOYSA-N 1 1 300.362 2.654 20 5 DFBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1[C@@H]1CCCO1 ZINC000289889666 221296574 /nfs/dbraw/zinc/29/65/74/221296574.db2.gz SIAJGDNXCJJCFB-HRCADAONSA-N 1 1 320.389 2.518 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000294944917 224329417 /nfs/dbraw/zinc/32/94/17/224329417.db2.gz LOEMECFROKYRNG-GFCCVEGCSA-N 1 1 313.785 2.507 20 5 DFBDMO CCc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc1 ZINC000602963532 399641782 /nfs/dbraw/zinc/64/17/82/399641782.db2.gz XNUOLTUSYYNROB-KRWDZBQOSA-N 1 1 315.373 2.550 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997653 399654504 /nfs/dbraw/zinc/65/45/04/399654504.db2.gz OLGHYFQIDOPGHX-JYJNAYRXSA-N 1 1 320.389 2.729 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997826 399654697 /nfs/dbraw/zinc/65/46/97/399654697.db2.gz RUCXVDUJTFWTCV-DZKIICNBSA-N 1 1 320.389 2.599 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602998172 399656180 /nfs/dbraw/zinc/65/61/80/399656180.db2.gz YMAUOLZLVOCRRT-PJODQICGSA-N 1 1 308.353 2.859 20 5 DFBDMO C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602967945 399642926 /nfs/dbraw/zinc/64/29/26/399642926.db2.gz VBWLZPKHSPUADZ-BBBLOLIVSA-N 1 1 320.315 2.880 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000612790172 399724761 /nfs/dbraw/zinc/72/47/61/399724761.db2.gz ADMHZKISUMIGRV-JOYOIKCWSA-N 1 1 315.320 2.948 20 5 DFBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000271627857 209072874 /nfs/dbraw/zinc/07/28/74/209072874.db2.gz YMSPYBJNZXLZQY-NEPJUHHUSA-N 1 1 321.377 2.805 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)c1 ZINC000603395484 399764913 /nfs/dbraw/zinc/76/49/13/399764913.db2.gz FFBNQYYIANECCN-HZPDHXFCSA-N 1 1 319.405 2.814 20 5 DFBDMO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000301292390 543045404 /nfs/dbraw/zinc/04/54/04/543045404.db2.gz XBYARAIUAPLJEH-ZDUSSCGKSA-N 1 1 300.362 2.922 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000604553983 399855304 /nfs/dbraw/zinc/85/53/04/399855304.db2.gz IMLPXVWXPVPXMQ-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccon2)cccc1[N+](=O)[O-] ZINC000349236391 285810912 /nfs/dbraw/zinc/81/09/12/285810912.db2.gz GZAPICWERPDZRE-NSHDSACASA-N 1 1 318.333 2.571 20 5 DFBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072861511 145190082 /nfs/dbraw/zinc/19/00/82/145190082.db2.gz MQEABHRCQAMCOZ-AWEZNQCLSA-N 1 1 323.418 2.751 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153728022 145215181 /nfs/dbraw/zinc/21/51/81/145215181.db2.gz UFPOYEOFFZYZST-UHFFFAOYSA-N 1 1 308.382 2.757 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172956811 145326009 /nfs/dbraw/zinc/32/60/09/145326009.db2.gz FHNODJSEATUDFX-LEWSCRJBSA-N 1 1 303.362 2.510 20 5 DFBDMO C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201074 146062884 /nfs/dbraw/zinc/06/28/84/146062884.db2.gz FHBRXXSIFHDCCZ-HZSPNIEDSA-N 1 1 319.405 2.515 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000245835677 146103824 /nfs/dbraw/zinc/10/38/24/146103824.db2.gz ANOPXALESQJDGC-CHWSQXEVSA-N 1 1 305.378 2.901 20 5 DFBDMO C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000245898752 146108356 /nfs/dbraw/zinc/10/83/56/146108356.db2.gz KVLCOVJMNNAQFX-IOASZLSFSA-N 1 1 317.389 2.678 20 5 DFBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1c1ccccc1 ZINC000246184594 146127369 /nfs/dbraw/zinc/12/73/69/146127369.db2.gz KUTBHMRENGGJPI-GOEBONIOSA-N 1 1 314.389 2.917 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000247078757 146160511 /nfs/dbraw/zinc/16/05/11/146160511.db2.gz WXJFCFSKFXGFEH-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000255838562 146235025 /nfs/dbraw/zinc/23/50/25/146235025.db2.gz ANXQVDKHUXOVAX-VURMDHGXSA-N 1 1 300.362 2.864 20 5 DFBDMO [NH3+]C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261873350 146293774 /nfs/dbraw/zinc/29/37/74/146293774.db2.gz XNYPNMOIQDSTMO-AEFFLSMTSA-N 1 1 311.385 2.769 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261979115 146313328 /nfs/dbraw/zinc/31/33/28/146313328.db2.gz RCYLVNXAYSGSQJ-OAHLLOKOSA-N 1 1 307.369 2.698 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC(CC[NH2+]C)CC1 ZINC000262003814 146321428 /nfs/dbraw/zinc/32/14/28/146321428.db2.gz QRCYQWCWJZQJQK-UHFFFAOYSA-N 1 1 321.421 2.815 20 5 DFBDMO Cc1c(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262449832 146361637 /nfs/dbraw/zinc/36/16/37/146361637.db2.gz HSCHTPQBQVUBMT-HRCADAONSA-N 1 1 303.406 2.914 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354411995 147026328 /nfs/dbraw/zinc/02/63/28/147026328.db2.gz WNYIAEOERSBUIF-SMDDNHRTSA-N 1 1 323.368 2.679 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000354416761 147028652 /nfs/dbraw/zinc/02/86/52/147028652.db2.gz VVFLFXVPCLIBQO-CQSZACIVSA-N 1 1 305.378 2.589 20 5 DFBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000354508422 147062949 /nfs/dbraw/zinc/06/29/49/147062949.db2.gz NLCQFKJSHGVBGV-GXTWGEPZSA-N 1 1 313.361 2.632 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000357663780 148075013 /nfs/dbraw/zinc/07/50/13/148075013.db2.gz RNLFOCOHASYHLR-CQSZACIVSA-N 1 1 307.394 2.816 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358310490 148324957 /nfs/dbraw/zinc/32/49/57/148324957.db2.gz RAOVBUNRVLMRLU-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO C[C@H]1CCCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000358400289 148347165 /nfs/dbraw/zinc/34/71/65/148347165.db2.gz OMKZXLOXAZXUSC-ZDUSSCGKSA-N 1 1 305.378 2.822 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CC1CCCCC1 ZINC000362590523 149317495 /nfs/dbraw/zinc/31/74/95/149317495.db2.gz JNEZRVICSHJAFQ-UHFFFAOYSA-N 1 1 322.405 2.978 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000371546298 150063204 /nfs/dbraw/zinc/06/32/04/150063204.db2.gz ZICHPSAXRDKMCH-JPQUEUOBSA-N 1 1 301.390 2.634 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000372933564 150204021 /nfs/dbraw/zinc/20/40/21/150204021.db2.gz ZYULMRRHQHKTKK-HZPDHXFCSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1sc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000372949044 150206001 /nfs/dbraw/zinc/20/60/01/150206001.db2.gz MRXWSYZFQOFJPL-ZYHUDNBSSA-N 1 1 323.418 2.664 20 5 DFBDMO Cc1sc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000372949044 150206002 /nfs/dbraw/zinc/20/60/02/150206002.db2.gz MRXWSYZFQOFJPL-ZYHUDNBSSA-N 1 1 323.418 2.664 20 5 DFBDMO Cc1sc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000372949026 150206628 /nfs/dbraw/zinc/20/66/28/150206628.db2.gz MRXWSYZFQOFJPL-CMPLNLGQSA-N 1 1 323.418 2.664 20 5 DFBDMO Cc1sc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000372949026 150206631 /nfs/dbraw/zinc/20/66/31/150206631.db2.gz MRXWSYZFQOFJPL-CMPLNLGQSA-N 1 1 323.418 2.664 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(NC[C@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000373044543 150221078 /nfs/dbraw/zinc/22/10/78/150221078.db2.gz GIXHITGYELFAOJ-VIFPVBQESA-N 1 1 308.288 2.744 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351633058 286176255 /nfs/dbraw/zinc/17/62/55/286176255.db2.gz YEXAULSKWFFBBS-OCCSQVGLSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351633057 286176333 /nfs/dbraw/zinc/17/63/33/286176333.db2.gz YEXAULSKWFFBBS-JSGCOSHPSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000373967314 150284993 /nfs/dbraw/zinc/28/49/93/150284993.db2.gz GYTNGLYBEJSIIC-KEYYUXOJSA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000373967314 150284996 /nfs/dbraw/zinc/28/49/96/150284996.db2.gz GYTNGLYBEJSIIC-KEYYUXOJSA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374025057 150294439 /nfs/dbraw/zinc/29/44/39/150294439.db2.gz HUVGWCQMWQXDHV-CPUCHLNUSA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374025057 150294440 /nfs/dbraw/zinc/29/44/40/150294440.db2.gz HUVGWCQMWQXDHV-CPUCHLNUSA-N 1 1 320.389 2.753 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377426557 150689469 /nfs/dbraw/zinc/68/94/69/150689469.db2.gz QABAJBUMLJOPSE-STQMWFEESA-N 1 1 318.377 2.652 20 5 DFBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1[C@H]1CCCO1 ZINC000351958039 286255567 /nfs/dbraw/zinc/25/55/67/286255567.db2.gz LYXFVSPNHAXUIK-CVEARBPZSA-N 1 1 320.389 2.863 20 5 DFBDMO C[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000352184072 286313769 /nfs/dbraw/zinc/31/37/69/286313769.db2.gz MIDLJKFWJLWCPF-AXFHLTTASA-N 1 1 309.341 2.934 20 5 DFBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000352281144 286335428 /nfs/dbraw/zinc/33/54/28/286335428.db2.gz SUVMXMJNNBTXML-OAHLLOKOSA-N 1 1 319.405 2.818 20 5 DFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360078 286353056 /nfs/dbraw/zinc/35/30/56/286353056.db2.gz LOKAEPJQRLXRHS-SWLSCSKDSA-N 1 1 314.389 2.919 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000352399943 286363847 /nfs/dbraw/zinc/36/38/47/286363847.db2.gz OYZAQSNKHRWPHA-CQSZACIVSA-N 1 1 316.361 2.674 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000352399943 286363848 /nfs/dbraw/zinc/36/38/48/286363848.db2.gz OYZAQSNKHRWPHA-CQSZACIVSA-N 1 1 316.361 2.674 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000352392655 286362155 /nfs/dbraw/zinc/36/21/55/286362155.db2.gz VLDCESUUIGUIIQ-CQSZACIVSA-N 1 1 316.361 2.555 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291387220 292295898 /nfs/dbraw/zinc/29/58/98/292295898.db2.gz BCTMFHCVVYHFRE-NWDGAFQWSA-N 1 1 314.332 2.914 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCC[C@H](C)C1 ZINC000301564090 158220126 /nfs/dbraw/zinc/22/01/26/158220126.db2.gz YSZQXWLFCNTKPL-ZDUSSCGKSA-N 1 1 307.394 2.885 20 5 DFBDMO CC[N@@H+](CCC1CC1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000355058474 158263424 /nfs/dbraw/zinc/26/34/24/158263424.db2.gz MGNDXZBVENUZFM-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000129789443 196075790 /nfs/dbraw/zinc/07/57/90/196075790.db2.gz QIIYVNIVMVFYKS-LRDDRELGSA-N 1 1 307.394 2.882 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000133890915 196343550 /nfs/dbraw/zinc/34/35/50/196343550.db2.gz VIGQBESRBMDWMY-SFHVURJKSA-N 1 1 312.369 2.729 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134433205 196391001 /nfs/dbraw/zinc/39/10/01/196391001.db2.gz MIRGZDSTIYRZIW-LBPRGKRZSA-N 1 1 323.368 2.538 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000054676274 425891010 /nfs/dbraw/zinc/89/10/10/425891010.db2.gz IFFPCUBBODPDEX-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H](C)OC ZINC000291210016 222226006 /nfs/dbraw/zinc/22/60/06/222226006.db2.gz KQIMZUCMZMBRJL-GFCCVEGCSA-N 1 1 323.393 2.589 20 5 DFBDMO Cc1[nH+]ccn1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000297556612 227298042 /nfs/dbraw/zinc/29/80/42/227298042.db2.gz CNSCILYNDUTZKT-UHFFFAOYSA-N 1 1 316.361 2.537 20 5 DFBDMO COc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000301646122 229796604 /nfs/dbraw/zinc/79/66/04/229796604.db2.gz PKVRPCZGDVNOPS-ZWNOBZJWSA-N 1 1 311.357 2.883 20 5 DFBDMO Cc1nn(C)c(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000302065197 230075279 /nfs/dbraw/zinc/07/52/79/230075279.db2.gz VSJJAUAEAGJTFI-AAEUAGOBSA-N 1 1 321.425 2.702 20 5 DFBDMO Cc1cccc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000302508302 230275064 /nfs/dbraw/zinc/27/50/64/230275064.db2.gz RJKLNGADSRMPJM-MRXNPFEDSA-N 1 1 320.437 2.587 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000066532176 425904658 /nfs/dbraw/zinc/90/46/58/425904658.db2.gz GOEKYUBCODZMOW-BETUJISGSA-N 1 1 305.378 2.821 20 5 DFBDMO Cc1ncsc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000066562561 425905078 /nfs/dbraw/zinc/90/50/78/425905078.db2.gz YWKGHXMNOQIWRW-UHFFFAOYSA-N 1 1 307.375 2.871 20 5 DFBDMO C[C@H]1c2cccn2CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386557 425910142 /nfs/dbraw/zinc/91/01/42/425910142.db2.gz UBCNWRSGTTVULI-ZDUSSCGKSA-N 1 1 301.346 2.852 20 5 DFBDMO C[C@H]1c2cccn2CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386557 425910143 /nfs/dbraw/zinc/91/01/43/425910143.db2.gz UBCNWRSGTTVULI-ZDUSSCGKSA-N 1 1 301.346 2.852 20 5 DFBDMO CC(C)[C@H](C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458387 425910666 /nfs/dbraw/zinc/91/06/66/425910666.db2.gz GVIVYQSHBOOHEC-AWEZNQCLSA-N 1 1 321.421 2.966 20 5 DFBDMO CC(C)[C@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458387 425910667 /nfs/dbraw/zinc/91/06/67/425910667.db2.gz GVIVYQSHBOOHEC-AWEZNQCLSA-N 1 1 321.421 2.966 20 5 DFBDMO O=C(N[C@H]1CCC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000068526149 425918649 /nfs/dbraw/zinc/91/86/49/425918649.db2.gz LYGURTWCJPZSPI-LBPRGKRZSA-N 1 1 321.377 2.715 20 5 DFBDMO CCOC(=O)c1cc(NCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000124506749 425923224 /nfs/dbraw/zinc/92/32/24/425923224.db2.gz IQXJQSPCNIWLDD-UHFFFAOYSA-N 1 1 309.366 2.524 20 5 DFBDMO CN(C(=O)C[N@H+]1CCC[C@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000102925890 425931322 /nfs/dbraw/zinc/93/13/22/425931322.db2.gz HHYDZHSHRLPAEG-INIZCTEOSA-N 1 1 317.389 2.822 20 5 DFBDMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000007787624 267377898 /nfs/dbraw/zinc/37/78/98/267377898.db2.gz FORBQSNDWRDEFO-JTQLQIEISA-N 1 1 311.769 2.919 20 5 DFBDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000007787624 267377900 /nfs/dbraw/zinc/37/79/00/267377900.db2.gz FORBQSNDWRDEFO-JTQLQIEISA-N 1 1 311.769 2.919 20 5 DFBDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000026476515 425812217 /nfs/dbraw/zinc/81/22/17/425812217.db2.gz FPUVFLYGZCSOJR-SMDDNHRTSA-N 1 1 305.378 2.704 20 5 DFBDMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000031654261 425835789 /nfs/dbraw/zinc/83/57/89/425835789.db2.gz ZLQHEPSDRITQAV-NSHDSACASA-N 1 1 303.362 2.796 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000194715188 268113365 /nfs/dbraw/zinc/11/33/65/268113365.db2.gz ZLOVEJJNKTUBMJ-NEPJUHHUSA-N 1 1 314.345 2.668 20 5 DFBDMO CCC[N@@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000270751690 268211254 /nfs/dbraw/zinc/21/12/54/268211254.db2.gz KBXSQVDIYWKWFZ-UHFFFAOYSA-N 1 1 309.366 2.664 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000315194927 268342210 /nfs/dbraw/zinc/34/22/10/268342210.db2.gz LHKGQNQDLDKDOK-TXEJJXNPSA-N 1 1 309.797 2.680 20 5 DFBDMO CC[N@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000050053631 425881344 /nfs/dbraw/zinc/88/13/44/425881344.db2.gz TZHLUBGYQQPWIJ-UHFFFAOYSA-N 1 1 300.742 2.633 20 5 DFBDMO CC[N@@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000050053631 425881345 /nfs/dbraw/zinc/88/13/45/425881345.db2.gz TZHLUBGYQQPWIJ-UHFFFAOYSA-N 1 1 300.742 2.633 20 5 DFBDMO CC[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000125664032 425984192 /nfs/dbraw/zinc/98/41/92/425984192.db2.gz XIOGMVOUOLJILY-LLVKDONJSA-N 1 1 302.334 2.877 20 5 DFBDMO CC[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000125713382 425987066 /nfs/dbraw/zinc/98/70/66/425987066.db2.gz WTXSIOUXQLSUGU-NSHDSACASA-N 1 1 302.334 2.877 20 5 DFBDMO Cc1c(C[N@H+]2CCCN(C(=O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000069608814 425949021 /nfs/dbraw/zinc/94/90/21/425949021.db2.gz SEUQVQMKHATNFM-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO Cc1c(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000069608814 425949026 /nfs/dbraw/zinc/94/90/26/425949026.db2.gz SEUQVQMKHATNFM-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000125180245 425957647 /nfs/dbraw/zinc/95/76/47/425957647.db2.gz CTDYDOPIIVTRRS-ZDUSSCGKSA-N 1 1 323.368 2.584 20 5 DFBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCC1 ZINC000111299576 426046441 /nfs/dbraw/zinc/04/64/41/426046441.db2.gz SGNIBLXEQXBYNZ-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC(C)(C)O ZINC000162455899 426065436 /nfs/dbraw/zinc/06/54/36/426065436.db2.gz MGUOQMXTELMWEA-UHFFFAOYSA-N 1 1 317.183 2.560 20 5 DFBDMO CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000126362055 426016049 /nfs/dbraw/zinc/01/60/49/426016049.db2.gz VBVDIDFBQZBELF-LLVKDONJSA-N 1 1 311.407 2.607 20 5 DFBDMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000072897653 426020845 /nfs/dbraw/zinc/02/08/45/426020845.db2.gz GLLAFBICCXBBHW-STQMWFEESA-N 1 1 317.389 2.604 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163120263 426090177 /nfs/dbraw/zinc/09/01/77/426090177.db2.gz SXULAUKJIIZIOL-OLZOCXBDSA-N 1 1 320.393 2.850 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000113364883 426113261 /nfs/dbraw/zinc/11/32/61/426113261.db2.gz QQZWBGWDXDDWSC-AWEZNQCLSA-N 1 1 320.393 2.981 20 5 DFBDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128878949 426137165 /nfs/dbraw/zinc/13/71/65/426137165.db2.gz JMMABCJGFMZWKK-NSHDSACASA-N 1 1 309.341 2.794 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc1 ZINC000112654807 426085720 /nfs/dbraw/zinc/08/57/20/426085720.db2.gz WZPWBRPFXCUXGX-OAHLLOKOSA-N 1 1 312.373 2.719 20 5 DFBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000112658560 426085814 /nfs/dbraw/zinc/08/58/14/426085814.db2.gz BXNYDQMQLHYFFJ-LBPRGKRZSA-N 1 1 323.393 2.908 20 5 DFBDMO Cc1[nH+]cn(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000171667641 426202899 /nfs/dbraw/zinc/20/28/99/426202899.db2.gz QPHVHDWBZWZCIQ-UHFFFAOYSA-N 1 1 308.725 2.700 20 5 DFBDMO Cc1[nH+]cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000171667011 426203022 /nfs/dbraw/zinc/20/30/22/426203022.db2.gz NJCVAOIGQSMHIJ-UHFFFAOYSA-N 1 1 308.725 2.700 20 5 DFBDMO CNC(=O)CC[N@@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000170783986 426149999 /nfs/dbraw/zinc/14/99/99/426149999.db2.gz URROJZUJIIXKHF-UHFFFAOYSA-N 1 1 324.380 2.514 20 5 DFBDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000130287513 426153422 /nfs/dbraw/zinc/15/34/22/426153422.db2.gz PECIRQVZGJRXKR-AWEZNQCLSA-N 1 1 305.378 2.704 20 5 DFBDMO COc1ccc(C[N@@H+](C)CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000171240306 426178231 /nfs/dbraw/zinc/17/82/31/426178231.db2.gz VUGMYOFCSGLFLO-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO Cc1c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116320863 426188102 /nfs/dbraw/zinc/18/81/02/426188102.db2.gz NHRRYINSMQDVHF-CQSZACIVSA-N 1 1 300.362 2.626 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095794 426219915 /nfs/dbraw/zinc/21/99/15/426219915.db2.gz MCFIHFFWUABDSY-CZUORRHYSA-N 1 1 321.421 2.766 20 5 DFBDMO Cc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000118787490 426244433 /nfs/dbraw/zinc/24/44/33/426244433.db2.gz CVUCBVCVZDPDHT-CYBMUJFWSA-N 1 1 320.393 2.709 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000173781741 426247034 /nfs/dbraw/zinc/24/70/34/426247034.db2.gz VQHDYRGTDRTXJR-AWEZNQCLSA-N 1 1 319.405 2.707 20 5 DFBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000150940942 426268388 /nfs/dbraw/zinc/26/83/88/426268388.db2.gz IPKALOOEPVHOFW-CYBMUJFWSA-N 1 1 320.393 2.694 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000174997878 426273419 /nfs/dbraw/zinc/27/34/19/426273419.db2.gz CTGGYWDODNBCKZ-LSDHHAIUSA-N 1 1 317.389 2.602 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2COC)C1 ZINC000175152197 426282341 /nfs/dbraw/zinc/28/23/41/426282341.db2.gz YGYKZYAWIZAVQD-CQSZACIVSA-N 1 1 321.421 2.909 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153740950 426403577 /nfs/dbraw/zinc/40/35/77/426403577.db2.gz XWQUARCKTOGWLL-UHFFFAOYSA-N 1 1 316.361 2.570 20 5 DFBDMO NC(=O)[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000092735338 426351105 /nfs/dbraw/zinc/35/11/05/426351105.db2.gz SRSDRDBIRRKXJI-LJQANCHMSA-N 1 1 320.392 2.679 20 5 DFBDMO Cc1cc(C(=O)NCC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000122118489 426358500 /nfs/dbraw/zinc/35/85/00/426358500.db2.gz RRVKTCMRBMRVSC-UHFFFAOYSA-N 1 1 319.405 2.898 20 5 DFBDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176202170 426359617 /nfs/dbraw/zinc/35/96/17/426359617.db2.gz UTSKGCLZJNVXDK-JTQLQIEISA-N 1 1 310.304 2.763 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2F)C2CC2)n1 ZINC000176197126 426360082 /nfs/dbraw/zinc/36/00/82/426360082.db2.gz RHBKGIMNAVSFEF-UHFFFAOYSA-N 1 1 304.325 2.595 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2F)C2CC2)n1 ZINC000176197126 426360086 /nfs/dbraw/zinc/36/00/86/426360086.db2.gz RHBKGIMNAVSFEF-UHFFFAOYSA-N 1 1 304.325 2.595 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccc(F)cc2F)C2CC2)n1 ZINC000176211914 426360694 /nfs/dbraw/zinc/36/06/94/426360694.db2.gz PVBHLLXRZRZGNB-UHFFFAOYSA-N 1 1 322.315 2.734 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccc(F)cc2F)C2CC2)n1 ZINC000176211914 426360697 /nfs/dbraw/zinc/36/06/97/426360697.db2.gz PVBHLLXRZRZGNB-UHFFFAOYSA-N 1 1 322.315 2.734 20 5 DFBDMO C[N@H+](CCc1ccc(Cl)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176244127 426363435 /nfs/dbraw/zinc/36/34/35/426363435.db2.gz ZFWNEZHKDNJQCE-UHFFFAOYSA-N 1 1 308.769 2.619 20 5 DFBDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000176235948 426363674 /nfs/dbraw/zinc/36/36/74/426363674.db2.gz HKJGORPTVLKLDG-JTQLQIEISA-N 1 1 309.395 2.558 20 5 DFBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1c1ccccc1 ZINC000176263454 426365290 /nfs/dbraw/zinc/36/52/90/426365290.db2.gz KUTBHMRENGGJPI-HOCLYGCPSA-N 1 1 314.389 2.917 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000122333225 426370558 /nfs/dbraw/zinc/37/05/58/426370558.db2.gz HANYYDCOUSIORQ-RISCZKNCSA-N 1 1 323.368 2.536 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000122668590 426387482 /nfs/dbraw/zinc/38/74/82/426387482.db2.gz AEZVSTDFFIDQAS-WCQYABFASA-N 1 1 305.378 2.820 20 5 DFBDMO CC[N@@H+](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000154011447 426418983 /nfs/dbraw/zinc/41/89/83/426418983.db2.gz XWWBAROVEFLDLK-UHFFFAOYSA-N 1 1 317.389 2.570 20 5 DFBDMO Cc1nn(C)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154252373 426432878 /nfs/dbraw/zinc/43/28/78/426432878.db2.gz JHHZIJGPICMLBT-UHFFFAOYSA-N 1 1 300.362 2.801 20 5 DFBDMO Cc1nn(C)cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154252373 426432879 /nfs/dbraw/zinc/43/28/79/426432879.db2.gz JHHZIJGPICMLBT-UHFFFAOYSA-N 1 1 300.362 2.801 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177025133 426434820 /nfs/dbraw/zinc/43/48/20/426434820.db2.gz FOIHATCTGCNZKT-CQSZACIVSA-N 1 1 306.366 2.543 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000154542613 426444675 /nfs/dbraw/zinc/44/46/75/426444675.db2.gz WKYWHUZRTMQWJF-HZPDHXFCSA-N 1 1 316.361 2.579 20 5 DFBDMO COCCO[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000340766461 269009654 /nfs/dbraw/zinc/00/96/54/269009654.db2.gz IIAIGTAUNFVLNG-UONOGXRCSA-N 1 1 308.378 2.783 20 5 DFBDMO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000340896329 269028466 /nfs/dbraw/zinc/02/84/66/269028466.db2.gz IWEDRDOQFWFHIM-STQMWFEESA-N 1 1 307.394 2.796 20 5 DFBDMO Cc1c(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000341061953 269037237 /nfs/dbraw/zinc/03/72/37/269037237.db2.gz ATJOWLMXQQDWMC-BETUJISGSA-N 1 1 319.405 2.896 20 5 DFBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000124115529 426470397 /nfs/dbraw/zinc/47/03/97/426470397.db2.gz UDHKBQFOPKIFEI-LLVKDONJSA-N 1 1 317.349 2.558 20 5 DFBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000124162814 426473434 /nfs/dbraw/zinc/47/34/34/426473434.db2.gz WBHRFUABJQGQET-UHFFFAOYSA-N 1 1 323.312 2.736 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000124365218 426481471 /nfs/dbraw/zinc/48/14/71/426481471.db2.gz UMOMIIUSGLZWQC-UHFFFAOYSA-N 1 1 301.346 2.543 20 5 DFBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000101912781 426486928 /nfs/dbraw/zinc/48/69/28/426486928.db2.gz TYQHZYKAEFTZLK-HNNXBMFYSA-N 1 1 319.405 2.723 20 5 DFBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000177891928 426534209 /nfs/dbraw/zinc/53/42/09/426534209.db2.gz XEAZUUHLSUNYLP-NXEZZACHSA-N 1 1 311.769 2.917 20 5 DFBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000177891928 426534216 /nfs/dbraw/zinc/53/42/16/426534216.db2.gz XEAZUUHLSUNYLP-NXEZZACHSA-N 1 1 311.769 2.917 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186499016 426538865 /nfs/dbraw/zinc/53/88/65/426538865.db2.gz LAWQKWJGOJWMME-UHFFFAOYSA-N 1 1 308.403 2.693 20 5 DFBDMO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264398904 426548081 /nfs/dbraw/zinc/54/80/81/426548081.db2.gz OOMUAKINCGJLMC-AWEZNQCLSA-N 1 1 319.405 2.722 20 5 DFBDMO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264398904 426548086 /nfs/dbraw/zinc/54/80/86/426548086.db2.gz OOMUAKINCGJLMC-AWEZNQCLSA-N 1 1 319.405 2.722 20 5 DFBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288925066 426552787 /nfs/dbraw/zinc/55/27/87/426552787.db2.gz VJLGEUAEMFZDJW-MRXNPFEDSA-N 1 1 308.378 2.588 20 5 DFBDMO Cn1cc([C@@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000264147546 426505755 /nfs/dbraw/zinc/50/57/55/426505755.db2.gz ZKGSBEPEENGLJV-INIZCTEOSA-N 1 1 316.361 2.544 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177688325 426505854 /nfs/dbraw/zinc/50/58/54/426505854.db2.gz VPGBINCBNHFROG-UKRRQHHQSA-N 1 1 321.421 2.908 20 5 DFBDMO Cc1cccc([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000273062635 426585813 /nfs/dbraw/zinc/58/58/13/426585813.db2.gz IAEYXKYFQJRNJE-HNNXBMFYSA-N 1 1 300.362 2.589 20 5 DFBDMO CC1([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)OCCO1 ZINC000273103447 426592987 /nfs/dbraw/zinc/59/29/87/426592987.db2.gz OZUMISWPONBGBI-CYBMUJFWSA-N 1 1 324.352 2.709 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC=C(C)C1 ZINC000280722739 426641984 /nfs/dbraw/zinc/64/19/84/426641984.db2.gz FXXCNTNFOZSBAT-UHFFFAOYSA-N 1 1 303.362 2.884 20 5 DFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273365797 426652474 /nfs/dbraw/zinc/65/24/74/426652474.db2.gz FYUFJZAHXVOSDQ-IINYFYTJSA-N 1 1 324.356 2.538 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273488085 426673599 /nfs/dbraw/zinc/67/35/99/426673599.db2.gz RXTNGTYZDCJNOU-NSHDSACASA-N 1 1 324.356 2.730 20 5 DFBDMO Cc1c(C[N@H+](CCCO)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000280923938 426687276 /nfs/dbraw/zinc/68/72/76/426687276.db2.gz GOALBKYASNTLBR-UHFFFAOYSA-N 1 1 315.373 2.683 20 5 DFBDMO Cc1c(C[N@@H+](CCCO)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000280923938 426687281 /nfs/dbraw/zinc/68/72/81/426687281.db2.gz GOALBKYASNTLBR-UHFFFAOYSA-N 1 1 315.373 2.683 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000178730773 426685257 /nfs/dbraw/zinc/68/52/57/426685257.db2.gz NODJSYIAGILJSF-CQSZACIVSA-N 1 1 316.361 2.504 20 5 DFBDMO CCC(=O)c1ccc(N(C)[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000280643101 426623701 /nfs/dbraw/zinc/62/37/01/426623701.db2.gz DNSMRAQHNBPYCN-CYBMUJFWSA-N 1 1 305.378 2.718 20 5 DFBDMO CCOc1cccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000273898296 426713299 /nfs/dbraw/zinc/71/32/99/426713299.db2.gz VIBPYFJVSKZYDR-UONOGXRCSA-N 1 1 319.405 2.914 20 5 DFBDMO Cc1sc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000274451176 426771471 /nfs/dbraw/zinc/77/14/71/426771471.db2.gz IXUBRHFWAQWFHG-NSHDSACASA-N 1 1 311.407 2.567 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179127830 426755270 /nfs/dbraw/zinc/75/52/70/426755270.db2.gz DDAZXRARIDBOJS-NSHDSACASA-N 1 1 312.753 2.776 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179127830 426755278 /nfs/dbraw/zinc/75/52/78/426755278.db2.gz DDAZXRARIDBOJS-NSHDSACASA-N 1 1 312.753 2.776 20 5 DFBDMO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000179183846 426765530 /nfs/dbraw/zinc/76/55/30/426765530.db2.gz PCYYVWYJYDDHBM-LBPRGKRZSA-N 1 1 317.345 2.861 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000179183846 426765531 /nfs/dbraw/zinc/76/55/31/426765531.db2.gz PCYYVWYJYDDHBM-LBPRGKRZSA-N 1 1 317.345 2.861 20 5 DFBDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266942654 426801091 /nfs/dbraw/zinc/80/10/91/426801091.db2.gz QIDQBPCSLFGKMN-ZBFHGGJFSA-N 1 1 314.389 2.744 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000290607320 426803121 /nfs/dbraw/zinc/80/31/21/426803121.db2.gz WHEJJFNEMHOEPP-NVXWUHKLSA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000290607320 426803122 /nfs/dbraw/zinc/80/31/22/426803122.db2.gz WHEJJFNEMHOEPP-NVXWUHKLSA-N 1 1 303.406 2.819 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000290860489 426857189 /nfs/dbraw/zinc/85/71/89/426857189.db2.gz INNUKBOUCVUJEM-NSHDSACASA-N 1 1 311.357 2.584 20 5 DFBDMO COc1cccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000274678408 426816552 /nfs/dbraw/zinc/81/65/52/426816552.db2.gz HOVHGVGIHLIEEI-LLVKDONJSA-N 1 1 302.334 2.711 20 5 DFBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000266917976 426796370 /nfs/dbraw/zinc/79/63/70/426796370.db2.gz HDBZJMJWNQQYFC-LBPRGKRZSA-N 1 1 305.378 2.678 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000268128680 426922687 /nfs/dbraw/zinc/92/26/87/426922687.db2.gz BCASTYJQEPFIRE-LLVKDONJSA-N 1 1 311.357 2.521 20 5 DFBDMO CC(=O)c1ccc(NC[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000275741058 426908258 /nfs/dbraw/zinc/90/82/58/426908258.db2.gz VKRCDNYPODVQIH-GFCCVEGCSA-N 1 1 314.345 2.668 20 5 DFBDMO Cc1c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000268103834 426913871 /nfs/dbraw/zinc/91/38/71/426913871.db2.gz LETOIQYZOCCDDN-SFHVURJKSA-N 1 1 312.369 2.995 20 5 DFBDMO Cc1c(C[N@H+]2CCc3ccccc3[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000268103834 426913873 /nfs/dbraw/zinc/91/38/73/426913873.db2.gz LETOIQYZOCCDDN-SFHVURJKSA-N 1 1 312.369 2.995 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247975902 426969864 /nfs/dbraw/zinc/96/98/64/426969864.db2.gz KVPPFBMDILMLDL-YOEHRIQHSA-N 1 1 320.389 2.730 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283293609 426989973 /nfs/dbraw/zinc/98/99/73/426989973.db2.gz YBBVGFAIVUEIDU-IUODEOHRSA-N 1 1 309.385 2.896 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291800842 426993552 /nfs/dbraw/zinc/99/35/52/426993552.db2.gz NCTRNIPARBWZDJ-GHMZBOCLSA-N 1 1 300.305 2.605 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291800842 426993562 /nfs/dbraw/zinc/99/35/62/426993562.db2.gz NCTRNIPARBWZDJ-GHMZBOCLSA-N 1 1 300.305 2.605 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291662516 426944066 /nfs/dbraw/zinc/94/40/66/426944066.db2.gz FWGHHZDBUWHHFJ-PWSUYJOCSA-N 1 1 300.305 2.605 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291662516 426944071 /nfs/dbraw/zinc/94/40/71/426944071.db2.gz FWGHHZDBUWHHFJ-PWSUYJOCSA-N 1 1 300.305 2.605 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295568307 427009943 /nfs/dbraw/zinc/00/99/43/427009943.db2.gz QWJNIWRGKSIJJX-UHFFFAOYSA-N 1 1 321.425 2.642 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000291991348 427051111 /nfs/dbraw/zinc/05/11/11/427051111.db2.gz UNJYPNPRVZPGLH-SNVBAGLBSA-N 1 1 313.785 2.707 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000283737173 427066310 /nfs/dbraw/zinc/06/63/10/427066310.db2.gz IPYRSZZSZZLWCQ-AWEZNQCLSA-N 1 1 319.405 2.966 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000249034484 427079518 /nfs/dbraw/zinc/07/95/18/427079518.db2.gz FTULDJKZNFYGIE-YWPYICTPSA-N 1 1 306.362 2.787 20 5 DFBDMO CN(c1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000276540826 427094768 /nfs/dbraw/zinc/09/47/68/427094768.db2.gz DFABCHOZJCVEJB-CYBMUJFWSA-N 1 1 300.362 2.673 20 5 DFBDMO CS[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296212257 427114289 /nfs/dbraw/zinc/11/42/89/427114289.db2.gz JRISQVWFOJAWNU-GFCCVEGCSA-N 1 1 323.418 2.669 20 5 DFBDMO CC[C@H]([NH2+]CCCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000268825077 427132161 /nfs/dbraw/zinc/13/21/61/427132161.db2.gz PDWMPYKSMQFXTC-INIZCTEOSA-N 1 1 309.410 2.604 20 5 DFBDMO CC[C@H](NCCC[N@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000268825077 427132164 /nfs/dbraw/zinc/13/21/64/427132164.db2.gz PDWMPYKSMQFXTC-INIZCTEOSA-N 1 1 309.410 2.604 20 5 DFBDMO CC[C@H](NCCC[N@@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000268825077 427132171 /nfs/dbraw/zinc/13/21/71/427132171.db2.gz PDWMPYKSMQFXTC-INIZCTEOSA-N 1 1 309.410 2.604 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)C1 ZINC000292288127 427160638 /nfs/dbraw/zinc/16/06/38/427160638.db2.gz MXANDLWPLAOBDG-KRWDZBQOSA-N 1 1 312.373 2.675 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccnc(OC(F)F)c2)cs1 ZINC000284095647 427133980 /nfs/dbraw/zinc/13/39/80/427133980.db2.gz RVCFKYIQAHWLFX-UHFFFAOYSA-N 1 1 315.301 2.943 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000268861696 427134147 /nfs/dbraw/zinc/13/41/47/427134147.db2.gz ROIBZVNMCGVALA-CZUORRHYSA-N 1 1 319.405 2.662 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292241866 427143411 /nfs/dbraw/zinc/14/34/11/427143411.db2.gz WWKHBJWXSMDKRT-OAHLLOKOSA-N 1 1 320.389 2.852 20 5 DFBDMO C[C@H](NCC[N@@H+](C)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284231772 427159081 /nfs/dbraw/zinc/15/90/81/427159081.db2.gz UQXYINCDHVPTNN-LBPRGKRZSA-N 1 1 306.410 2.702 20 5 DFBDMO C[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284231772 427159088 /nfs/dbraw/zinc/15/90/88/427159088.db2.gz UQXYINCDHVPTNN-LBPRGKRZSA-N 1 1 306.410 2.702 20 5 DFBDMO C[C@]1(O)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000125115447 271029251 /nfs/dbraw/zinc/02/92/51/271029251.db2.gz UOERVYZXGUPIGS-INIZCTEOSA-N 1 1 317.345 2.597 20 5 DFBDMO C[C@]1(O)CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000125115447 271029255 /nfs/dbraw/zinc/02/92/55/271029255.db2.gz UOERVYZXGUPIGS-INIZCTEOSA-N 1 1 317.345 2.597 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000270494247 271298973 /nfs/dbraw/zinc/29/89/73/271298973.db2.gz DNUWXBALSUOVBI-LLVKDONJSA-N 1 1 311.357 2.521 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302410834 271363150 /nfs/dbraw/zinc/36/31/50/271363150.db2.gz GWRCQRIJTHRISZ-LBPRGKRZSA-N 1 1 304.394 2.707 20 5 DFBDMO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000269396575 427187449 /nfs/dbraw/zinc/18/74/49/427187449.db2.gz FAUGXTJYZCYVCG-DZGCQCFKSA-N 1 1 316.405 2.751 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000296483339 427194601 /nfs/dbraw/zinc/19/46/01/427194601.db2.gz KPXIOFFEIIGUEV-NSHDSACASA-N 1 1 309.366 2.508 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000292704388 427196970 /nfs/dbraw/zinc/19/69/70/427196970.db2.gz ASYAIOPACICAMP-NSHDSACASA-N 1 1 304.268 2.834 20 5 DFBDMO Cc1cnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000269440630 427197102 /nfs/dbraw/zinc/19/71/02/427197102.db2.gz SMPXSYBHOYAFCL-DZGCQCFKSA-N 1 1 316.405 2.751 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269453541 427200212 /nfs/dbraw/zinc/20/02/12/427200212.db2.gz WMFMPAUCIVZNPZ-CZUORRHYSA-N 1 1 316.405 2.751 20 5 DFBDMO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000285462532 427240552 /nfs/dbraw/zinc/24/05/52/427240552.db2.gz ARBXHPRIJNBUPN-OTYXRUKQSA-N 1 1 323.299 2.652 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3sccc3C2)c1 ZINC000269687510 427252403 /nfs/dbraw/zinc/25/24/03/427252403.db2.gz TZPWXGCLMRRPOJ-AWEZNQCLSA-N 1 1 304.371 2.748 20 5 DFBDMO Cc1nc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000296879926 427263961 /nfs/dbraw/zinc/26/39/61/427263961.db2.gz WYCDBZTURJLDLR-AWEZNQCLSA-N 1 1 319.409 2.902 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000330589717 427271071 /nfs/dbraw/zinc/27/10/71/427271071.db2.gz POJKKHKPQGIEDW-QWRGUYRKSA-N 1 1 307.350 2.739 20 5 DFBDMO COc1ccc(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000293299386 427280908 /nfs/dbraw/zinc/28/09/08/427280908.db2.gz WJPWNPOTCIMGSB-INIZCTEOSA-N 1 1 308.378 2.850 20 5 DFBDMO Cc1c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000297093191 427327563 /nfs/dbraw/zinc/32/75/63/427327563.db2.gz CIADDZJIWSCQOS-YHWZYXNKSA-N 1 1 318.377 2.650 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277831881 427333711 /nfs/dbraw/zinc/33/37/11/427333711.db2.gz RPENOGQBLIXWCH-AAEUAGOBSA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277831881 427333719 /nfs/dbraw/zinc/33/37/19/427333719.db2.gz RPENOGQBLIXWCH-AAEUAGOBSA-N 1 1 318.295 2.730 20 5 DFBDMO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000331113056 427348530 /nfs/dbraw/zinc/34/85/30/427348530.db2.gz JJNIMTJGYPRLLP-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000278084695 427399312 /nfs/dbraw/zinc/39/93/12/427399312.db2.gz XOWFXFHXTXEOCW-CQSZACIVSA-N 1 1 319.405 2.707 20 5 DFBDMO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191716678 427411802 /nfs/dbraw/zinc/41/18/02/427411802.db2.gz LEVRNYIMWVFROS-HBNTYKKESA-N 1 1 320.349 2.719 20 5 DFBDMO CCOc1cc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331195228 427366612 /nfs/dbraw/zinc/36/66/12/427366612.db2.gz XVWUMIAZKOBVAM-OLZOCXBDSA-N 1 1 307.394 2.518 20 5 DFBDMO CCc1nc(NCc2ccc(OC)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000286250757 427468067 /nfs/dbraw/zinc/46/80/67/427468067.db2.gz IUTKHIWLXSLQQS-UHFFFAOYSA-N 1 1 302.334 2.876 20 5 DFBDMO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000278849890 427475700 /nfs/dbraw/zinc/47/57/00/427475700.db2.gz VOFMTOSLYZFCKF-JTQLQIEISA-N 1 1 304.302 2.825 20 5 DFBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC000331732828 427482921 /nfs/dbraw/zinc/48/29/21/427482921.db2.gz SDAMUFKAZGHZPN-GFCCVEGCSA-N 1 1 317.389 2.604 20 5 DFBDMO O=[N+]([O-])c1cnccc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000340929227 271759664 /nfs/dbraw/zinc/75/96/64/271759664.db2.gz QXBWYGWOKZHGQZ-IYBDPMFKSA-N 1 1 324.384 2.558 20 5 DFBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000293778028 427432609 /nfs/dbraw/zinc/43/26/09/427432609.db2.gz VUYROOOOMWNAMD-ZDUSSCGKSA-N 1 1 317.389 2.541 20 5 DFBDMO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413015 427435401 /nfs/dbraw/zinc/43/54/01/427435401.db2.gz FODZQEXJDIPWCV-CABCVRRESA-N 1 1 321.421 2.746 20 5 DFBDMO C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413015 427435410 /nfs/dbraw/zinc/43/54/10/427435410.db2.gz FODZQEXJDIPWCV-CABCVRRESA-N 1 1 321.421 2.746 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000192175284 427495253 /nfs/dbraw/zinc/49/52/53/427495253.db2.gz HVLVETNBOKZZQY-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@@H](C)CC1 ZINC000192175284 427495258 /nfs/dbraw/zinc/49/52/58/427495258.db2.gz HVLVETNBOKZZQY-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO C[C@H]([NH2+]Cc1cn2c(n1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293950624 427498431 /nfs/dbraw/zinc/49/84/31/427498431.db2.gz ZFZIAOPQPDIHIF-NSHDSACASA-N 1 1 315.377 2.561 20 5 DFBDMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000271438328 427539346 /nfs/dbraw/zinc/53/93/46/427539346.db2.gz BPGWYIDHSZETQN-STQMWFEESA-N 1 1 305.378 2.821 20 5 DFBDMO CCOc1cccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000341586174 271854469 /nfs/dbraw/zinc/85/44/69/271854469.db2.gz MWWLRFYKHWRLSQ-LLVKDONJSA-N 1 1 304.350 2.578 20 5 DFBDMO Cc1sc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294108269 427549722 /nfs/dbraw/zinc/54/97/22/427549722.db2.gz LCYHBXJMCXKXGE-HNNXBMFYSA-N 1 1 323.418 2.523 20 5 DFBDMO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332243220 427554231 /nfs/dbraw/zinc/55/42/31/427554231.db2.gz SCZQFXPWJKTROW-NWDGAFQWSA-N 1 1 318.377 2.597 20 5 DFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332243220 427554238 /nfs/dbraw/zinc/55/42/38/427554238.db2.gz SCZQFXPWJKTROW-NWDGAFQWSA-N 1 1 318.377 2.597 20 5 DFBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000338952670 427586720 /nfs/dbraw/zinc/58/67/20/427586720.db2.gz HVJKTUNOWHMLJR-OAHLLOKOSA-N 1 1 308.378 2.531 20 5 DFBDMO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192692105 427589554 /nfs/dbraw/zinc/58/95/54/427589554.db2.gz DFYGCCKOQNNPCS-SUMWQHHRSA-N 1 1 303.406 2.904 20 5 DFBDMO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192692105 427589561 /nfs/dbraw/zinc/58/95/61/427589561.db2.gz DFYGCCKOQNNPCS-SUMWQHHRSA-N 1 1 303.406 2.904 20 5 DFBDMO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373241 427640460 /nfs/dbraw/zinc/64/04/60/427640460.db2.gz BCJJYNLCAPOMAJ-NXEZZACHSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373241 427640465 /nfs/dbraw/zinc/64/04/65/427640465.db2.gz BCJJYNLCAPOMAJ-NXEZZACHSA-N 1 1 318.295 2.816 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])cc1F ZINC000185373086 427643740 /nfs/dbraw/zinc/64/37/40/427643740.db2.gz RHHWKLNFXPDIFG-GFCCVEGCSA-N 1 1 314.357 2.581 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342554000 272023318 /nfs/dbraw/zinc/02/33/18/272023318.db2.gz AFGOGRRVGXCSJJ-GFCCVEGCSA-N 1 1 308.382 2.837 20 5 DFBDMO COc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000342582206 272027627 /nfs/dbraw/zinc/02/76/27/272027627.db2.gz GIKXNFRTYQTPBY-LBPRGKRZSA-N 1 1 312.341 2.743 20 5 DFBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000343068689 272082182 /nfs/dbraw/zinc/08/21/82/272082182.db2.gz VPVZABMHIBSDKG-QWHCGFSZSA-N 1 1 305.378 2.588 20 5 DFBDMO C[C@H](C[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-])c1nccs1 ZINC000339082819 427666658 /nfs/dbraw/zinc/66/66/58/427666658.db2.gz IKOINQUAHDEOMR-SNVBAGLBSA-N 1 1 307.375 2.992 20 5 DFBDMO C[C@H](CN(C)Cc1cc([O-])ccc1[N+](=O)[O-])c1nccs1 ZINC000339082819 427666662 /nfs/dbraw/zinc/66/66/62/427666662.db2.gz IKOINQUAHDEOMR-SNVBAGLBSA-N 1 1 307.375 2.992 20 5 DFBDMO C[C@@H]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000287683337 427668125 /nfs/dbraw/zinc/66/81/25/427668125.db2.gz COEXLWBXUBPQEI-BDAKNGLRSA-N 1 1 319.390 2.637 20 5 DFBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000343463536 272153388 /nfs/dbraw/zinc/15/33/88/272153388.db2.gz UDJJEHJJUYZWFH-ZWNOBZJWSA-N 1 1 323.418 2.529 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000343558846 272170578 /nfs/dbraw/zinc/17/05/78/272170578.db2.gz CQIDEPSYNQRPQJ-CQSZACIVSA-N 1 1 305.378 2.507 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000343636376 272190197 /nfs/dbraw/zinc/19/01/97/272190197.db2.gz AZOVJTUMXQIJIM-INIZCTEOSA-N 1 1 319.405 2.518 20 5 DFBDMO C[NH+](C)CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000343792533 272219651 /nfs/dbraw/zinc/21/96/51/272219651.db2.gz FKZDXMZYNXOJEG-UHFFFAOYSA-N 1 1 315.329 2.887 20 5 DFBDMO CC1(C)CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000343905648 272234765 /nfs/dbraw/zinc/23/47/65/272234765.db2.gz JNQWLJMBXVPAHL-UHFFFAOYSA-N 1 1 319.361 2.767 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000343909208 272235294 /nfs/dbraw/zinc/23/52/94/272235294.db2.gz BPVPSAHMKYUMDB-CYBMUJFWSA-N 1 1 321.377 2.668 20 5 DFBDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000343957236 272243071 /nfs/dbraw/zinc/24/30/71/272243071.db2.gz DUMOMAUKAPXTNH-OAHLLOKOSA-N 1 1 318.377 2.883 20 5 DFBDMO CC[C@]1(C)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000344223522 272290802 /nfs/dbraw/zinc/29/08/02/272290802.db2.gz WANYMQUONUGECW-QGZVFWFLSA-N 1 1 317.389 2.606 20 5 DFBDMO CC[C@]1(C)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344220414 272291026 /nfs/dbraw/zinc/29/10/26/272291026.db2.gz QOPLNBVJRJCQGD-DOTOQJQBSA-N 1 1 317.389 2.822 20 5 DFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000344244732 272295997 /nfs/dbraw/zinc/29/59/97/272295997.db2.gz KYCXTYFWOKHQRQ-DLBZAZTESA-N 1 1 313.357 2.952 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000344625159 272348951 /nfs/dbraw/zinc/34/89/51/272348951.db2.gz WSXVVRSXYXOURG-OAHLLOKOSA-N 1 1 319.405 2.753 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000344698408 272357768 /nfs/dbraw/zinc/35/77/68/272357768.db2.gz IXLNOFNQJMNCMN-AWEZNQCLSA-N 1 1 323.368 2.584 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000344698409 272357923 /nfs/dbraw/zinc/35/79/23/272357923.db2.gz IXLNOFNQJMNCMN-CQSZACIVSA-N 1 1 323.368 2.584 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193863729 427721333 /nfs/dbraw/zinc/72/13/33/427721333.db2.gz KNSOGYNAPMHUQC-AWEZNQCLSA-N 1 1 300.362 2.740 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000193863729 427721339 /nfs/dbraw/zinc/72/13/39/427721339.db2.gz KNSOGYNAPMHUQC-AWEZNQCLSA-N 1 1 300.362 2.740 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](F)C[C@@H]3CO)o2)cc1 ZINC000344821483 272375187 /nfs/dbraw/zinc/37/51/87/272375187.db2.gz FBIXYDAJQORBSH-GXTWGEPZSA-N 1 1 320.320 2.760 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](F)C[C@@H]3CO)o2)cc1 ZINC000344821483 272375188 /nfs/dbraw/zinc/37/51/88/272375188.db2.gz FBIXYDAJQORBSH-GXTWGEPZSA-N 1 1 320.320 2.760 20 5 DFBDMO COc1cc(C[NH+]2CCC(CF)CC2)c([N+](=O)[O-])cc1F ZINC000295105370 427693646 /nfs/dbraw/zinc/69/36/46/427693646.db2.gz HQMDUOIOFMCXCZ-UHFFFAOYSA-N 1 1 300.305 2.924 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000295144050 427710006 /nfs/dbraw/zinc/71/00/06/427710006.db2.gz ZYNUKLIUBPVYFO-LRDDRELGSA-N 1 1 312.373 2.673 20 5 DFBDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185862974 427720323 /nfs/dbraw/zinc/72/03/23/427720323.db2.gz DHGUYBQQJYVWMB-AWEZNQCLSA-N 1 1 305.378 2.848 20 5 DFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000301363336 427791145 /nfs/dbraw/zinc/79/11/45/427791145.db2.gz PSEFFDFZUHDMBS-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000336891019 427771465 /nfs/dbraw/zinc/77/14/65/427771465.db2.gz IFKHTDHGUZKSTB-CQSZACIVSA-N 1 1 317.345 2.529 20 5 DFBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301064361 427772836 /nfs/dbraw/zinc/77/28/36/427772836.db2.gz OCNYVNLEAVKHSB-ZDUSSCGKSA-N 1 1 311.357 2.503 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000337000987 427786210 /nfs/dbraw/zinc/78/62/10/427786210.db2.gz UANPFOGIJKLAJY-JTQLQIEISA-N 1 1 319.390 2.578 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000334007515 427725827 /nfs/dbraw/zinc/72/58/27/427725827.db2.gz BQORSUHUZATKQE-OCCSQVGLSA-N 1 1 319.405 2.733 20 5 DFBDMO Cc1ccc(NC[C@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000301452698 427796982 /nfs/dbraw/zinc/79/69/82/427796982.db2.gz UUKWATPOOHBYKD-MRXNPFEDSA-N 1 1 307.394 2.672 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CNc1nc(C)[nH+]c(C)c1C ZINC000301703962 427818101 /nfs/dbraw/zinc/81/81/01/427818101.db2.gz UVCKJTBCVNXYCU-UHFFFAOYSA-N 1 1 302.334 2.931 20 5 DFBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340405868 427840578 /nfs/dbraw/zinc/84/05/78/427840578.db2.gz WDXDBYMCJFZKNK-UONOGXRCSA-N 1 1 308.378 2.863 20 5 DFBDMO Cc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000340411382 427842584 /nfs/dbraw/zinc/84/25/84/427842584.db2.gz HNYQCDDHBYNDCM-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO Cc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000340411382 427842589 /nfs/dbraw/zinc/84/25/89/427842589.db2.gz HNYQCDDHBYNDCM-UHFFFAOYSA-N 1 1 313.357 2.974 20 5 DFBDMO C[C@H]1CCC[N@H+]1C1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302015033 427847234 /nfs/dbraw/zinc/84/72/34/427847234.db2.gz BWEDTTJZNANTJH-ZDUSSCGKSA-N 1 1 319.405 2.540 20 5 DFBDMO Cc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302085001 427849760 /nfs/dbraw/zinc/84/97/60/427849760.db2.gz NBZZZEUWWXQIFV-PIGZYNQJSA-N 1 1 314.389 2.838 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302870269 427883575 /nfs/dbraw/zinc/88/35/75/427883575.db2.gz BKPUELGPDCZCRX-RISCZKNCSA-N 1 1 304.394 2.703 20 5 DFBDMO CC1=C[C@H](C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337464710 427917935 /nfs/dbraw/zinc/91/79/35/427917935.db2.gz MCWAOIITAYFTQH-LBPRGKRZSA-N 1 1 303.362 2.821 20 5 DFBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000345936126 427958466 /nfs/dbraw/zinc/95/84/66/427958466.db2.gz BQIXIOONEIPMBB-NXEZZACHSA-N 1 1 311.407 2.519 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000345936126 427958471 /nfs/dbraw/zinc/95/84/71/427958471.db2.gz BQIXIOONEIPMBB-NXEZZACHSA-N 1 1 311.407 2.519 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)[C@@H]2C1 ZINC000413226092 427995865 /nfs/dbraw/zinc/99/58/65/427995865.db2.gz CWFWVCCYLWAMST-MLGOLLRUSA-N 1 1 312.373 2.673 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413224417 427995935 /nfs/dbraw/zinc/99/59/35/427995935.db2.gz FPIZDRIYFSQKEU-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1 ZINC000413180585 427982573 /nfs/dbraw/zinc/98/25/73/427982573.db2.gz ZZMHEGVCROXKED-LBPRGKRZSA-N 1 1 308.357 2.805 20 5 DFBDMO CC(C)C[N@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000369513540 427986154 /nfs/dbraw/zinc/98/61/54/427986154.db2.gz ZNIYHKACBDZCLI-UHFFFAOYSA-N 1 1 321.421 2.637 20 5 DFBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000355896190 427940343 /nfs/dbraw/zinc/94/03/43/427940343.db2.gz MCPMXBAIJDYFNC-GFCCVEGCSA-N 1 1 307.350 2.503 20 5 DFBDMO C[N@@H+](CCCCNc1c2ccccc2ncc1[N+](=O)[O-])C1CC1 ZINC000413349186 428026762 /nfs/dbraw/zinc/02/67/62/428026762.db2.gz QYRUBROVDWTARL-UHFFFAOYSA-N 1 1 314.389 2.851 20 5 DFBDMO C[N@H+]1CCC[C@@H](CCNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000413433010 428049160 /nfs/dbraw/zinc/04/91/60/428049160.db2.gz CWRFQZILWNDGFI-ZDUSSCGKSA-N 1 1 314.389 2.709 20 5 DFBDMO C[N@H+]1CCC[C@H](CCNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000413443117 428051242 /nfs/dbraw/zinc/05/12/42/428051242.db2.gz RCWQDUQDJWGXHN-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DFBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000346258707 428094821 /nfs/dbraw/zinc/09/48/21/428094821.db2.gz ZHLQBVFODZUHQG-UHFFFAOYSA-N 1 1 319.405 2.782 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369967968 428099126 /nfs/dbraw/zinc/09/91/26/428099126.db2.gz VHKXHBMKFWWMQG-KBPBESRZSA-N 1 1 305.378 2.780 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369967969 428099390 /nfs/dbraw/zinc/09/93/90/428099390.db2.gz VHKXHBMKFWWMQG-KGLIPLIRSA-N 1 1 305.378 2.780 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1noc([C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000370013309 428112179 /nfs/dbraw/zinc/11/21/79/428112179.db2.gz WVLPKWGCSWUCHI-SNVBAGLBSA-N 1 1 311.301 2.571 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000370049963 428120245 /nfs/dbraw/zinc/12/02/45/428120245.db2.gz MAFREXZLHCKZNH-NHYWBVRUSA-N 1 1 309.797 2.774 20 5 DFBDMO C[C@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000352356636 428132279 /nfs/dbraw/zinc/13/22/79/428132279.db2.gz MWSUNEVTVGBGNJ-AAEUAGOBSA-N 1 1 312.373 3.180 20 5 DFBDMO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356342664 428133799 /nfs/dbraw/zinc/13/37/99/428133799.db2.gz OUMMBCDFBAGRPY-LBPRGKRZSA-N 1 1 323.393 2.541 20 5 DFBDMO C[N@@H+](CCC(=O)NC1CCCC1)CCc1ccccc1[N+](=O)[O-] ZINC000352539365 428142747 /nfs/dbraw/zinc/14/27/47/428142747.db2.gz XXSLSAGEMCNZKD-UHFFFAOYSA-N 1 1 319.405 2.518 20 5 DFBDMO Cc1cccc(NCCNc2ncc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000346418595 428165636 /nfs/dbraw/zinc/16/56/36/428165636.db2.gz KXAMUEKJFFKTDD-UHFFFAOYSA-N 1 1 307.741 2.871 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609089 428167650 /nfs/dbraw/zinc/16/76/50/428167650.db2.gz RBADAKYQEBXRSZ-AWEZNQCLSA-N 1 1 321.396 2.898 20 5 DFBDMO Cc1ccc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)s1 ZINC000377963211 428270844 /nfs/dbraw/zinc/27/08/44/428270844.db2.gz OFGNBAGRVUUALT-GFCCVEGCSA-N 1 1 306.391 2.998 20 5 DFBDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000370744147 428288840 /nfs/dbraw/zinc/28/88/40/428288840.db2.gz BOLWOSDUQOXGRO-INIZCTEOSA-N 1 1 317.389 2.572 20 5 DFBDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000370744147 428288844 /nfs/dbraw/zinc/28/88/44/428288844.db2.gz BOLWOSDUQOXGRO-INIZCTEOSA-N 1 1 317.389 2.572 20 5 DFBDMO Cc1cc(NC(=O)NCC[N@@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000352882921 428296070 /nfs/dbraw/zinc/29/60/70/428296070.db2.gz LNRLZABNHIJIRJ-UHFFFAOYSA-N 1 1 318.377 2.677 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352776518 428242067 /nfs/dbraw/zinc/24/20/67/428242067.db2.gz CRSFCIKTAQIXHV-CABCVRRESA-N 1 1 320.389 2.852 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352775999 428243868 /nfs/dbraw/zinc/24/38/68/428243868.db2.gz AMHSRLXSPVWCRR-GJZGRUSLSA-N 1 1 319.405 2.662 20 5 DFBDMO COC(=O)[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C ZINC000346628067 428246673 /nfs/dbraw/zinc/24/66/73/428246673.db2.gz AIBZQCJEAUSTEN-NXEZZACHSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C ZINC000346628067 428246676 /nfs/dbraw/zinc/24/66/76/428246676.db2.gz AIBZQCJEAUSTEN-NXEZZACHSA-N 1 1 312.753 2.632 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000370621370 428253301 /nfs/dbraw/zinc/25/33/01/428253301.db2.gz DKNWAIULLQMACO-AWEZNQCLSA-N 1 1 308.378 2.588 20 5 DFBDMO COC(=O)[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]1CCCC2 ZINC000342149067 428322319 /nfs/dbraw/zinc/32/23/19/428322319.db2.gz HRGDICAJMWPYFN-RHSMWYFYSA-N 1 1 318.373 2.760 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000414500473 428322747 /nfs/dbraw/zinc/32/27/47/428322747.db2.gz QHRIGBJCUSUKMM-CQSZACIVSA-N 1 1 319.405 2.628 20 5 DFBDMO Cc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000353016936 428353359 /nfs/dbraw/zinc/35/33/59/428353359.db2.gz JTIOWEOTVCOCLZ-OAHLLOKOSA-N 1 1 300.362 2.878 20 5 DFBDMO C[S@](=O)Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000353119249 428391078 /nfs/dbraw/zinc/39/10/78/428391078.db2.gz NSTUDQFZNSBVSX-NRFANRHFSA-N 1 1 324.427 2.825 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353033170 428364839 /nfs/dbraw/zinc/36/48/39/428364839.db2.gz YNYUVOBAWJRCCJ-SNVBAGLBSA-N 1 1 316.304 2.665 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000353038355 428366506 /nfs/dbraw/zinc/36/65/06/428366506.db2.gz MNBVKIJBCLZURL-OAHLLOKOSA-N 1 1 300.362 2.878 20 5 DFBDMO [NH3+]CC(F)(F)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414926449 428460417 /nfs/dbraw/zinc/46/04/17/428460417.db2.gz JKRLLDYIWSJKSV-UHFFFAOYSA-N 1 1 311.288 2.538 20 5 DFBDMO COc1ccc(-c2ccc(CNCC[C@@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414821411 428424092 /nfs/dbraw/zinc/42/40/92/428424092.db2.gz LDXWDMYEOIRZIK-LLVKDONJSA-N 1 1 319.361 2.690 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000414842573 428430948 /nfs/dbraw/zinc/43/09/48/428430948.db2.gz ITKICPWPQQZHNQ-CWRNSKLLSA-N 1 1 303.406 2.648 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342923198 428490153 /nfs/dbraw/zinc/49/01/53/428490153.db2.gz DUTLXLUZCNNEON-UHFFFAOYSA-N 1 1 318.377 2.536 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000360961107 428511916 /nfs/dbraw/zinc/51/19/16/428511916.db2.gz ORQJSUFEUKSLQO-FRRDWIJNSA-N 1 1 323.441 2.898 20 5 DFBDMO C[C@@H]1C[C@H]1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353408669 428522989 /nfs/dbraw/zinc/52/29/89/428522989.db2.gz UPYRRIPBHNAZNP-OSAQELSMSA-N 1 1 300.362 2.663 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2C[C@H]3CCCCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000372590559 428471855 /nfs/dbraw/zinc/47/18/55/428471855.db2.gz RHSOAYLURCYWIH-UKRRQHHQSA-N 1 1 317.389 2.848 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CC1CC1)C1CCC1 ZINC000361571622 428580705 /nfs/dbraw/zinc/58/07/05/428580705.db2.gz NFICECGRFNALCW-HNNXBMFYSA-N 1 1 320.389 2.599 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000407987381 428587784 /nfs/dbraw/zinc/58/77/84/428587784.db2.gz PHXKTHIGPWOMCN-UHFFFAOYSA-N 1 1 305.378 2.668 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398932479 428533395 /nfs/dbraw/zinc/53/33/95/428533395.db2.gz TUNWVTFSSVUUBZ-QJPTWQEYSA-N 1 1 310.781 2.841 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353463216 428548777 /nfs/dbraw/zinc/54/87/77/428548777.db2.gz WHKGUCZKSURXCT-CHWSQXEVSA-N 1 1 319.405 2.883 20 5 DFBDMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353463216 428548780 /nfs/dbraw/zinc/54/87/80/428548780.db2.gz WHKGUCZKSURXCT-CHWSQXEVSA-N 1 1 319.405 2.883 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000343539587 428558258 /nfs/dbraw/zinc/55/82/58/428558258.db2.gz FCZKMUSTYOSGCA-CYBMUJFWSA-N 1 1 305.378 2.507 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000408052334 428596262 /nfs/dbraw/zinc/59/62/62/428596262.db2.gz UDYDATSBWBKKCH-XQQFMLRXSA-N 1 1 321.377 2.665 20 5 DFBDMO Cn1c2cc(F)ccc2[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000362079811 428613032 /nfs/dbraw/zinc/61/30/32/428613032.db2.gz ZGVXAWZDNMPYJQ-UHFFFAOYSA-N 1 1 300.293 3.233 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000408243262 428626921 /nfs/dbraw/zinc/62/69/21/428626921.db2.gz FJSUDOMLQXNLSV-CHWSQXEVSA-N 1 1 320.393 2.768 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000408306354 428638409 /nfs/dbraw/zinc/63/84/09/428638409.db2.gz CORNUJDWGSRSKJ-QWHCGFSZSA-N 1 1 320.393 2.768 20 5 DFBDMO CO[C@H]1C[C@@H](CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)[N@@H+](C)C1 ZINC000284976839 274083008 /nfs/dbraw/zinc/08/30/08/274083008.db2.gz XOBZXTHJVBXDHN-BPUTZDHNSA-N 1 1 321.421 2.615 20 5 DFBDMO CO[C@H]1C[C@@H](C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)N(C)C1 ZINC000284976839 274083009 /nfs/dbraw/zinc/08/30/09/274083009.db2.gz XOBZXTHJVBXDHN-BPUTZDHNSA-N 1 1 321.421 2.615 20 5 DFBDMO CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)N(C)C1 ZINC000284976839 274083011 /nfs/dbraw/zinc/08/30/11/274083011.db2.gz XOBZXTHJVBXDHN-BPUTZDHNSA-N 1 1 321.421 2.615 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408464913 428666738 /nfs/dbraw/zinc/66/67/38/428666738.db2.gz GCEQZHRYHXSQIC-FRRDWIJNSA-N 1 1 322.384 2.971 20 5 DFBDMO Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408434882 428659546 /nfs/dbraw/zinc/65/95/46/428659546.db2.gz JJKNMZMIWQEBAQ-OLZOCXBDSA-N 1 1 314.389 2.980 20 5 DFBDMO C[C@@H]1CCCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000358417769 274284870 /nfs/dbraw/zinc/28/48/70/274284870.db2.gz YZUGKSHEMCMNFD-CYBMUJFWSA-N 1 1 317.389 2.748 20 5 DFBDMO 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C[C@H]1CCC(C)(C)[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452019703 429040545 /nfs/dbraw/zinc/04/05/45/429040545.db2.gz YYTANZWOJQUMPX-LBPRGKRZSA-N 1 1 317.389 2.747 20 5 DFBDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000452069378 429046392 /nfs/dbraw/zinc/04/63/92/429046392.db2.gz DXLXICPDRIDOJH-LBPRGKRZSA-N 1 1 319.405 2.952 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423398990 429080763 /nfs/dbraw/zinc/08/07/63/429080763.db2.gz UMHVZHLXXHMYHI-IACUBPJLSA-N 1 1 307.394 2.914 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423398989 429081280 /nfs/dbraw/zinc/08/12/80/429081280.db2.gz UMHVZHLXXHMYHI-FPMFFAJLSA-N 1 1 307.394 2.914 20 5 DFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1NCCCC1(C)C ZINC000423398976 429081817 /nfs/dbraw/zinc/08/18/17/429081817.db2.gz VRVSGAXZLQAZMO-XJKSGUPXSA-N 1 1 305.422 2.894 20 5 DFBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413140268 429146823 /nfs/dbraw/zinc/14/68/23/429146823.db2.gz RVJNQPZXFHDJJY-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494705414 429148403 /nfs/dbraw/zinc/14/84/03/429148403.db2.gz ZDMYDFKCUZOEQS-QGZVFWFLSA-N 1 1 320.389 2.865 20 5 DFBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000434982003 429116766 /nfs/dbraw/zinc/11/67/66/429116766.db2.gz JGFTYUFGRWBSDN-CABCVRRESA-N 1 1 324.425 2.707 20 5 DFBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000413027349 429124074 /nfs/dbraw/zinc/12/40/74/429124074.db2.gz AWKYUNMENISFJV-OAHLLOKOSA-N 1 1 316.336 2.622 20 5 DFBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000413027349 429124077 /nfs/dbraw/zinc/12/40/77/429124077.db2.gz AWKYUNMENISFJV-OAHLLOKOSA-N 1 1 316.336 2.622 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413085119 429136006 /nfs/dbraw/zinc/13/60/06/429136006.db2.gz OZZFGHAMZIVEQE-MRVPVSSYSA-N 1 1 304.272 2.515 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000494658805 429136010 /nfs/dbraw/zinc/13/60/10/429136010.db2.gz ZOCIWQFIWLHABI-QGZVFWFLSA-N 1 1 320.389 2.865 20 5 DFBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000413110316 429140535 /nfs/dbraw/zinc/14/05/35/429140535.db2.gz OJERPINSBSBRIG-UHFFFAOYSA-N 1 1 318.299 2.905 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000487194354 429141170 /nfs/dbraw/zinc/14/11/70/429141170.db2.gz AKHVOXWXGJFOTN-OAHLLOKOSA-N 1 1 320.393 2.707 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000364071375 429165796 /nfs/dbraw/zinc/16/57/96/429165796.db2.gz YWVMQDIALZWOHZ-NWDGAFQWSA-N 1 1 324.352 2.601 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c(F)c1 ZINC000301808242 275033784 /nfs/dbraw/zinc/03/37/84/275033784.db2.gz WWLFLKXTGHCQIB-WBIUFABUSA-N 1 1 323.343 2.794 20 5 DFBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000488746587 429195958 /nfs/dbraw/zinc/19/59/58/429195958.db2.gz NKYYYPVJVBENQF-MJVIPROJSA-N 1 1 324.812 2.810 20 5 DFBDMO C[C@H]1CC[C@](CO)([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495258690 429192808 /nfs/dbraw/zinc/19/28/08/429192808.db2.gz DSKXHCPUNOEFPF-YOEHRIQHSA-N 1 1 322.405 2.847 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000364514855 429217901 /nfs/dbraw/zinc/21/79/01/429217901.db2.gz ZNYAVXISPCLGBU-AWEZNQCLSA-N 1 1 315.377 2.757 20 5 DFBDMO Cc1cccc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000364607030 429233157 /nfs/dbraw/zinc/23/31/57/429233157.db2.gz LBBILNKASVQZQR-UONOGXRCSA-N 1 1 305.378 2.568 20 5 DFBDMO Cc1cccc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000364607030 429233158 /nfs/dbraw/zinc/23/31/58/429233158.db2.gz LBBILNKASVQZQR-UONOGXRCSA-N 1 1 305.378 2.568 20 5 DFBDMO O=[N+]([O-])c1cccnc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425270583 429255162 /nfs/dbraw/zinc/25/51/62/429255162.db2.gz AKHRNXFCKSWUGM-DOTOQJQBSA-N 1 1 324.384 2.701 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426454025 429393114 /nfs/dbraw/zinc/39/31/14/429393114.db2.gz LOKZKVTUDHWHSO-OLZOCXBDSA-N 1 1 303.362 2.716 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000449413113 429409097 /nfs/dbraw/zinc/40/90/97/429409097.db2.gz HUWRPAPONOSDKA-VHSXEESVSA-N 1 1 315.320 2.945 20 5 DFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000449193121 429353909 /nfs/dbraw/zinc/35/39/09/429353909.db2.gz QOJCCCYXFQNJMX-FZMZJTMJSA-N 1 1 300.362 2.916 20 5 DFBDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000365635346 429355906 /nfs/dbraw/zinc/35/59/06/429355906.db2.gz ZQICEIXFNUQMTQ-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365638884 429357463 /nfs/dbraw/zinc/35/74/63/429357463.db2.gz OGGDFPGSWCBNMT-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000518212787 429413625 /nfs/dbraw/zinc/41/36/25/429413625.db2.gz PSRZPOZOUFEQCQ-OAHLLOKOSA-N 1 1 313.357 2.988 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457200691 429425588 /nfs/dbraw/zinc/42/55/88/429425588.db2.gz LTAAVOOHMXQXQK-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000520402427 429512759 /nfs/dbraw/zinc/51/27/59/429512759.db2.gz QCLSPACNBRNKGP-HIFRSBDPSA-N 1 1 306.362 2.604 20 5 DFBDMO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000428414243 429517652 /nfs/dbraw/zinc/51/76/52/429517652.db2.gz ORZDQBTVIRBSHT-SCXUMTSISA-N 1 1 318.295 2.853 20 5 DFBDMO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000428414243 429517654 /nfs/dbraw/zinc/51/76/54/429517654.db2.gz ORZDQBTVIRBSHT-SCXUMTSISA-N 1 1 318.295 2.853 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000428457732 429524170 /nfs/dbraw/zinc/52/41/70/429524170.db2.gz MZSILEQJTJUKPM-DGCLKSJQSA-N 1 1 306.362 2.986 20 5 DFBDMO Cc1cnc([C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000428977817 429567424 /nfs/dbraw/zinc/56/74/24/429567424.db2.gz NOUCMFZRFIIVBH-CYBMUJFWSA-N 1 1 300.362 2.929 20 5 DFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000428996299 429568342 /nfs/dbraw/zinc/56/83/42/429568342.db2.gz QVHJPHYTHJMSDS-XNJGSVPQSA-N 1 1 321.396 2.896 20 5 DFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004329 429571143 /nfs/dbraw/zinc/57/11/43/429571143.db2.gz FINXYGVHPIVNNF-CPUCHLNUSA-N 1 1 303.406 2.757 20 5 DFBDMO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000450253518 429586344 /nfs/dbraw/zinc/58/63/44/429586344.db2.gz OPTMEOYXSTXEEC-UONOGXRCSA-N 1 1 312.373 3.182 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429569614 429618521 /nfs/dbraw/zinc/61/85/21/429618521.db2.gz UAZYXMGPRWNMSL-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@](CC)(CO)C2)ccc1[N+](=O)[O-] ZINC000492816844 429623454 /nfs/dbraw/zinc/62/34/54/429623454.db2.gz JBHOLJWDNRZLNO-QGZVFWFLSA-N 1 1 322.405 2.978 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC000367458974 429651653 /nfs/dbraw/zinc/65/16/53/429651653.db2.gz PUHSPSYUNYQAIU-INIZCTEOSA-N 1 1 306.362 2.748 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000430195617 429661161 /nfs/dbraw/zinc/66/11/61/429661161.db2.gz OPDXWBRHTMZZIF-YWPYICTPSA-N 1 1 308.378 2.585 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CCCC[N@@H+]1CCO ZINC000450613680 429661440 /nfs/dbraw/zinc/66/14/40/429661440.db2.gz MEVQYJWOEXOBKT-LBPRGKRZSA-N 1 1 313.785 2.507 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000430217151 429663209 /nfs/dbraw/zinc/66/32/09/429663209.db2.gz ILTLZKWCGHZRJQ-ZFWWWQNUSA-N 1 1 320.389 2.852 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000430212243 429663578 /nfs/dbraw/zinc/66/35/78/429663578.db2.gz ZVLDZSVSJACRSC-GFCCVEGCSA-N 1 1 306.362 2.604 20 5 DFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218474 429663640 /nfs/dbraw/zinc/66/36/40/429663640.db2.gz LZDKXKHZYOTPEY-CABCVRRESA-N 1 1 308.378 2.729 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242557 429666630 /nfs/dbraw/zinc/66/66/30/429666630.db2.gz JBBHBXNDMADWGE-HNNXBMFYSA-N 1 1 307.394 2.520 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176248327 276168772 /nfs/dbraw/zinc/16/87/72/276168772.db2.gz TYMFRSFQDCHUHU-CQSZACIVSA-N 1 1 306.366 2.543 20 5 DFBDMO O=C(C[NH+]1CCC2(CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000367600824 429681553 /nfs/dbraw/zinc/68/15/53/429681553.db2.gz ZZEBRTMQCVJABK-UHFFFAOYSA-N 1 1 303.362 2.799 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])c(C2CC2)n1)Cc1ccccc1 ZINC000450901593 429724158 /nfs/dbraw/zinc/72/41/58/429724158.db2.gz JNPXWDMCZLXSAB-UHFFFAOYSA-N 1 1 300.362 2.801 20 5 DFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H]3Cc4ccccc43)C2)c1 ZINC000367868149 429733567 /nfs/dbraw/zinc/73/35/67/429733567.db2.gz ANSBBSXXXQTXAR-CABCVRRESA-N 1 1 312.373 2.768 20 5 DFBDMO CC(C)[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000432151612 429804304 /nfs/dbraw/zinc/80/43/04/429804304.db2.gz GZWDVKXMEFZUQO-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368087153 429782908 /nfs/dbraw/zinc/78/29/08/429782908.db2.gz CQUZFMZUGOULLX-LALPHHSUSA-N 1 1 303.362 2.796 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368087153 429782915 /nfs/dbraw/zinc/78/29/15/429782915.db2.gz CQUZFMZUGOULLX-LALPHHSUSA-N 1 1 303.362 2.796 20 5 DFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432339135 429816351 /nfs/dbraw/zinc/81/63/51/429816351.db2.gz ZGWJGBBYGHMBLZ-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000368564949 429868451 /nfs/dbraw/zinc/86/84/51/429868451.db2.gz YECRJOOTZVKOEN-NWDGAFQWSA-N 1 1 310.785 2.706 20 5 DFBDMO CO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000451545089 429850147 /nfs/dbraw/zinc/85/01/47/429850147.db2.gz NSIJYIAYUGLUSM-GXFFZTMASA-N 1 1 305.334 2.593 20 5 DFBDMO CCO[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451552535 429851581 /nfs/dbraw/zinc/85/15/81/429851581.db2.gz YUANJVVAOLGXFD-BBRMVZONSA-N 1 1 308.378 2.721 20 5 DFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000451552820 429851982 /nfs/dbraw/zinc/85/19/82/429851982.db2.gz YZSMNQPBSGBRNO-WFASDCNBSA-N 1 1 308.378 2.850 20 5 DFBDMO C/C(=C\c1ccccc1)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000494263166 429863249 /nfs/dbraw/zinc/86/32/49/429863249.db2.gz VYHMDLQFVJYEML-WYMLVPIESA-N 1 1 300.362 2.827 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000451650003 429868264 /nfs/dbraw/zinc/86/82/64/429868264.db2.gz SXSLQJALVSGEAJ-OAHLLOKOSA-N 1 1 308.403 2.801 20 5 DFBDMO CC(=O)c1ccc(N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000368669890 429885051 /nfs/dbraw/zinc/88/50/51/429885051.db2.gz BREIBRPPDUAUHF-LSDHHAIUSA-N 1 1 317.389 2.860 20 5 DFBDMO Cc1c([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cccc1[N+](=O)[O-] ZINC000368685879 429886506 /nfs/dbraw/zinc/88/65/06/429886506.db2.gz BZQCEGVRIXXWNQ-NWDGAFQWSA-N 1 1 300.362 2.834 20 5 DFBDMO Cc1sc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000368690733 429887408 /nfs/dbraw/zinc/88/74/08/429887408.db2.gz XFJYEJAYUPMGBG-VXGBXAGGSA-N 1 1 323.418 2.664 20 5 DFBDMO C[N@H+]1CCCC12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000369382684 429933920 /nfs/dbraw/zinc/93/39/20/429933920.db2.gz DLRGLOWGMBCYCS-UHFFFAOYSA-N 1 1 303.406 2.698 20 5 DFBDMO Cc1ccc([C@@]2(C)CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000369384067 429934392 /nfs/dbraw/zinc/93/43/92/429934392.db2.gz QCZBZFLDWUIFNX-KRWDZBQOSA-N 1 1 314.389 2.800 20 5 DFBDMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000560646062 430060177 /nfs/dbraw/zinc/06/01/77/430060177.db2.gz LLVXMMPVJMSDTF-VIFPVBQESA-N 1 1 311.769 2.917 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562257431 430113873 /nfs/dbraw/zinc/11/38/73/430113873.db2.gz UBXKAMSVFGVPEQ-KGLIPLIRSA-N 1 1 321.421 2.935 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562299575 430117687 /nfs/dbraw/zinc/11/76/87/430117687.db2.gz LSAHEGSHFWSIHE-UONOGXRCSA-N 1 1 319.405 2.545 20 5 DFBDMO CN(C)C(=O)CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000563363802 430180809 /nfs/dbraw/zinc/18/08/09/430180809.db2.gz CIDVJLORNYRYPM-HNNXBMFYSA-N 1 1 319.405 2.643 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000371091556 277212629 /nfs/dbraw/zinc/21/26/29/277212629.db2.gz ZUCAXDKHMYCOJZ-MRXNPFEDSA-N 1 1 311.341 2.511 20 5 DFBDMO 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ZINC000408079816 280397815 /nfs/dbraw/zinc/39/78/15/280397815.db2.gz OKDDMNUEEDFVAY-OLZOCXBDSA-N 1 1 319.405 2.685 20 5 DFBDMO Cc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302084998 280587930 /nfs/dbraw/zinc/58/79/30/280587930.db2.gz NBZZZEUWWXQIFV-APPDUMDISA-N 1 1 314.389 2.838 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000175033085 281193322 /nfs/dbraw/zinc/19/33/22/281193322.db2.gz JYIHQIJFQVVNAM-UONOGXRCSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267280930 288314074 /nfs/dbraw/zinc/31/40/74/288314074.db2.gz OUQMYMZNIAHNMC-LSDHHAIUSA-N 1 1 317.389 2.860 20 5 DFBDMO CCC[N@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000363369322 289083444 /nfs/dbraw/zinc/08/34/44/289083444.db2.gz KCLOWZAFAPIAKI-UHFFFAOYSA-N 1 1 320.393 2.853 20 5 DFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269618446 290181748 /nfs/dbraw/zinc/18/17/48/290181748.db2.gz HJTHXBLHPTZAEL-QMTHXVAHSA-N 1 1 311.332 2.794 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000443308101 297218719 /nfs/dbraw/zinc/21/87/19/297218719.db2.gz JMLFGOGDOPKMCI-SLEUVZQESA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154003931 295290011 /nfs/dbraw/zinc/29/00/11/295290011.db2.gz CUFVIEFPHBXFRG-OAHLLOKOSA-N 1 1 320.393 2.837 20 5 DFBDMO CC(C)[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438487006 297095315 /nfs/dbraw/zinc/09/53/15/297095315.db2.gz CXRRRAOWQUKBNF-CJNGLKHVSA-N 1 1 317.389 2.678 20 5 DFBDMO C[C@H](c1cccnc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440509493 297154594 /nfs/dbraw/zinc/15/45/94/297154594.db2.gz WREDPGATPAWARG-TZMCWYRMSA-N 1 1 313.361 2.632 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000441192539 297175048 /nfs/dbraw/zinc/17/50/48/297175048.db2.gz DTVQXKKJYNEYOW-GJZGRUSLSA-N 1 1 320.389 2.722 20 5 DFBDMO CCOCC[N@H+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000441503593 297184988 /nfs/dbraw/zinc/18/49/88/297184988.db2.gz UKQJKILJHVDOAC-GJZGRUSLSA-N 1 1 321.421 2.698 20 5 DFBDMO CCOCC[N@H+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000441503592 297185031 /nfs/dbraw/zinc/18/50/31/297185031.db2.gz UKQJKILJHVDOAC-CABCVRRESA-N 1 1 321.421 2.698 20 5 DFBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000443346842 297220187 /nfs/dbraw/zinc/22/01/87/297220187.db2.gz WUDFDCDERDHHCU-JKIFEVAISA-N 1 1 322.405 2.845 20 5 DFBDMO C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000443638442 297223661 /nfs/dbraw/zinc/22/36/61/297223661.db2.gz ANWJHNHOIIIJPV-IIAWOOMASA-N 1 1 322.405 2.703 20 5 DFBDMO CC(C)OCCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444640411 297242808 /nfs/dbraw/zinc/24/28/08/297242808.db2.gz PKDAZODHSPSWRI-UHFFFAOYSA-N 1 1 306.366 2.718 20 5 DFBDMO CCC[C@@]1(CO)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000444769131 297250150 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CCC[C@H]1CN(c2c(C)cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000497757301 300191788 /nfs/dbraw/zinc/19/17/88/300191788.db2.gz OLWGVZKLGHGCGJ-HNNXBMFYSA-N 1 1 321.421 2.840 20 5 DFBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505835196 300228583 /nfs/dbraw/zinc/22/85/83/300228583.db2.gz VYYFQUSZJDBRKP-GFCCVEGCSA-N 1 1 318.352 2.847 20 5 DFBDMO C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000516679277 300355501 /nfs/dbraw/zinc/35/55/01/300355501.db2.gz MMWIFGTVEVCRDS-OCCSQVGLSA-N 1 1 316.405 2.691 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)CC1CCCC1)C2 ZINC000530494832 301051452 /nfs/dbraw/zinc/05/14/52/301051452.db2.gz NKVVOVZPDRYDBL-HNNXBMFYSA-N 1 1 304.390 2.894 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)C1CCCCC1)C2 ZINC000530548280 301055208 /nfs/dbraw/zinc/05/52/08/301055208.db2.gz NGFRPIOFAUKHKD-KRWDZBQOSA-N 1 1 304.390 2.894 20 5 DFBDMO O=[N+]([O-])c1ccccc1N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531656698 301102651 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2.917 20 5 DFBDMO Cc1nc(N2CC[NH+](Cc3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000534529730 301233531 /nfs/dbraw/zinc/23/35/31/301233531.db2.gz VMKUGAWPRIRUNT-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO Cc1ncc2c(n1)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000536642898 301285046 /nfs/dbraw/zinc/28/50/46/301285046.db2.gz AFAAKVRDSOVNLS-GQCTYLIASA-N 1 1 310.357 2.765 20 5 DFBDMO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000539088717 301338010 /nfs/dbraw/zinc/33/80/10/301338010.db2.gz YTSZOOZZHZXBTG-MLGOLLRUSA-N 1 1 316.357 2.988 20 5 DFBDMO Cc1ccc(C[N@@H+](CC(C)(C)O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000539838503 301352205 /nfs/dbraw/zinc/35/22/05/301352205.db2.gz UQWXSBJKNUUTDB-UHFFFAOYSA-N 1 1 322.405 2.655 20 5 DFBDMO CCOc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000540036265 301356620 /nfs/dbraw/zinc/35/66/20/301356620.db2.gz MXVRJSMRHDZSCF-BXUZGUMPSA-N 1 1 305.378 2.888 20 5 DFBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(F)F ZINC000551256155 301657906 /nfs/dbraw/zinc/65/79/06/301657906.db2.gz WYYXNWKLIQCWGF-VIFPVBQESA-N 1 1 301.293 2.557 20 5 DFBDMO COc1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000563095838 302036873 /nfs/dbraw/zinc/03/68/73/302036873.db2.gz XNJVEFMJVBKEMO-UHFFFAOYSA-N 1 1 313.357 2.777 20 5 DFBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000566286403 302274526 /nfs/dbraw/zinc/27/45/26/302274526.db2.gz MXELDKKDJJHBSA-GRYCIOLGSA-N 1 1 320.393 2.836 20 5 DFBDMO Cc1cnc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000266240423 302350773 /nfs/dbraw/zinc/35/07/73/302350773.db2.gz WSALTBUCFSADRQ-INIZCTEOSA-N 1 1 312.373 2.791 20 5 DFBDMO Cc1cnc(N2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000266240423 302350776 /nfs/dbraw/zinc/35/07/76/302350776.db2.gz WSALTBUCFSADRQ-INIZCTEOSA-N 1 1 312.373 2.791 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000567796984 302389524 /nfs/dbraw/zinc/38/95/24/302389524.db2.gz KYWVAYIKSLYKDL-HNNXBMFYSA-N 1 1 313.357 2.988 20 5 DFBDMO CC[N@H+]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000180422224 316033269 /nfs/dbraw/zinc/03/32/69/316033269.db2.gz YJEYFJJVDSEOJJ-LBPRGKRZSA-N 1 1 321.377 2.586 20 5 DFBDMO C[C@H]1C[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000488085324 317365970 /nfs/dbraw/zinc/36/59/70/317365970.db2.gz SFOOUAQLYBBHFK-NWDGAFQWSA-N 1 1 312.373 2.602 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488103100 317367802 /nfs/dbraw/zinc/36/78/02/317367802.db2.gz XVGLNCPDKLARRW-LBPRGKRZSA-N 1 1 323.356 2.870 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000576717617 318146100 /nfs/dbraw/zinc/14/61/00/318146100.db2.gz KFRJEIMIGIGGIT-ZDUSSCGKSA-N 1 1 307.394 2.993 20 5 DFBDMO C[NH+](C)[C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000580034692 318370078 /nfs/dbraw/zinc/37/00/78/318370078.db2.gz XPHAHWMOPQMPIR-SJORKVTESA-N 1 1 303.406 2.902 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000584540368 337359690 /nfs/dbraw/zinc/35/96/90/337359690.db2.gz WKMLBBPTBBKLNC-ZDUSSCGKSA-N 1 1 323.393 2.516 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000294715978 533930948 /nfs/dbraw/zinc/93/09/48/533930948.db2.gz FCHYICYSXLDXLE-AWEZNQCLSA-N 1 1 321.377 2.566 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000294715978 533930949 /nfs/dbraw/zinc/93/09/49/533930949.db2.gz FCHYICYSXLDXLE-AWEZNQCLSA-N 1 1 321.377 2.566 20 5 DFBDMO Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000297338390 534499178 /nfs/dbraw/zinc/49/91/78/534499178.db2.gz ASGODLPKLOLYHU-ZFWWWQNUSA-N 1 1 313.361 2.551 20 5 DFBDMO CCOc1cc(C[N@@H+]2CCOCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000365192172 520699499 /nfs/dbraw/zinc/69/94/99/520699499.db2.gz VTGIXWBJNLLAAN-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO CCOc1cc(C[N@H+]2CCOCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000365192172 520699503 /nfs/dbraw/zinc/69/95/03/520699503.db2.gz VTGIXWBJNLLAAN-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO CCOc1cccc(N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000364913972 521383382 /nfs/dbraw/zinc/38/33/82/521383382.db2.gz FFCARJMXFQRCIM-GXTWGEPZSA-N 1 1 305.378 2.524 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])cc1F ZINC000363821550 522379907 /nfs/dbraw/zinc/37/99/07/522379907.db2.gz NVCRSZMNSVJJGP-LBPRGKRZSA-N 1 1 312.341 2.743 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000317333003 534810882 /nfs/dbraw/zinc/81/08/82/534810882.db2.gz XKBHLFDBVUFIRN-RYUDHWBXSA-N 1 1 323.780 2.605 20 5 DFBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000158067629 526250256 /nfs/dbraw/zinc/25/02/56/526250256.db2.gz KYMHAWDZUAYQLS-UHFFFAOYSA-N 1 1 323.312 2.736 20 5 DFBDMO C[NH2+]C[C@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000261872417 536465710 /nfs/dbraw/zinc/46/57/10/536465710.db2.gz LMHOJNLEALLNNF-CYBMUJFWSA-N 1 1 314.389 2.887 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330701509 526671028 /nfs/dbraw/zinc/67/10/28/526671028.db2.gz HUCLHEZFHXNBGK-HZPDHXFCSA-N 1 1 322.405 2.703 20 5 DFBDMO CC(=O)c1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292773238 527210889 /nfs/dbraw/zinc/21/08/89/527210889.db2.gz LGRWJGCNGSACKV-QGZVFWFLSA-N 1 1 317.389 2.720 20 5 DFBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294672518 527840549 /nfs/dbraw/zinc/84/05/49/527840549.db2.gz XFHBIGOGWVLJMS-UHFFFAOYSA-N 1 1 321.421 2.590 20 5 DFBDMO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000293106787 527856112 /nfs/dbraw/zinc/85/61/12/527856112.db2.gz SKODGUVHOGKTNE-OAHLLOKOSA-N 1 1 323.349 2.750 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000293106787 527856121 /nfs/dbraw/zinc/85/61/21/527856121.db2.gz SKODGUVHOGKTNE-OAHLLOKOSA-N 1 1 323.349 2.750 20 5 DFBDMO CCC(=O)c1ccc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292364952 528457192 /nfs/dbraw/zinc/45/71/92/528457192.db2.gz RQZKAJBOOYFEMN-QGZVFWFLSA-N 1 1 317.389 2.720 20 5 DFBDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331736858 529249253 /nfs/dbraw/zinc/24/92/53/529249253.db2.gz VJQRORWWJYKCBQ-OCCSQVGLSA-N 1 1 317.389 2.747 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355373314 535232602 /nfs/dbraw/zinc/23/26/02/535232602.db2.gz WQRDGRWZLHTBQJ-BQLWYNFJSA-N 1 1 303.406 2.880 20 5 DFBDMO CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000245512071 535411286 /nfs/dbraw/zinc/41/12/86/535411286.db2.gz ZSVVRGVSHXLDNQ-KGLIPLIRSA-N 1 1 321.421 2.986 20 5 DFBDMO CCOc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000245512071 535411289 /nfs/dbraw/zinc/41/12/89/535411289.db2.gz ZSVVRGVSHXLDNQ-KGLIPLIRSA-N 1 1 321.421 2.986 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](C)OC ZINC000361574380 535706789 /nfs/dbraw/zinc/70/67/89/535706789.db2.gz VVJGGEZRAGXLKP-ZDUSSCGKSA-N 1 1 323.393 2.589 20 5 DFBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1Cl ZINC000357941267 536016516 /nfs/dbraw/zinc/01/65/16/536016516.db2.gz HWCKFWOLDRKFCY-UHFFFAOYSA-N 1 1 322.752 2.890 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000074684169 185009207 /nfs/dbraw/zinc/00/92/07/185009207.db2.gz NWFIJOOJQCUPDM-OCCSQVGLSA-N 1 1 318.377 2.604 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(F)nc1C ZINC000278516214 214206334 /nfs/dbraw/zinc/20/63/34/214206334.db2.gz PKYVLCLCRFQKLD-UHFFFAOYSA-N 1 1 305.309 2.736 20 5 DFBDMO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCO1 ZINC000278726663 214357324 /nfs/dbraw/zinc/35/73/24/214357324.db2.gz UBWINAOFQHGSGI-KGLIPLIRSA-N 1 1 314.769 2.532 20 5 DFBDMO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCO1 ZINC000278726661 214357469 /nfs/dbraw/zinc/35/74/69/214357469.db2.gz UBWINAOFQHGSGI-KBPBESRZSA-N 1 1 314.769 2.532 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000317001692 231156799 /nfs/dbraw/zinc/15/67/99/231156799.db2.gz SYDINFWNXIUPPW-OCCSQVGLSA-N 1 1 307.369 2.793 20 5 DFBDMO C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000596189173 398352460 /nfs/dbraw/zinc/35/24/60/398352460.db2.gz GMOLRLRIZKEHLW-NEPJUHHUSA-N 1 1 320.393 2.760 20 5 DFBDMO C[C@@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+]1C ZINC000591915869 398353307 /nfs/dbraw/zinc/35/33/07/398353307.db2.gz XQZSYDOBCVJMOF-YPMHNXCESA-N 1 1 304.394 2.763 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081636489 398364781 /nfs/dbraw/zinc/36/47/81/398364781.db2.gz JESJSTGKODCMOW-CQSZACIVSA-N 1 1 321.396 2.898 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596221561 398360885 /nfs/dbraw/zinc/36/08/85/398360885.db2.gz DLKJZVGQRSTRQA-UHFFFAOYSA-N 1 1 321.768 2.990 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+]2CCCSCC2)cccc1[N+](=O)[O-] ZINC000089982309 185274167 /nfs/dbraw/zinc/27/41/67/185274167.db2.gz RHHZLRAGVPQBHI-UHFFFAOYSA-N 1 1 323.418 2.671 20 5 DFBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000090553856 185302924 /nfs/dbraw/zinc/30/29/24/185302924.db2.gz SMFTYROIIBDINZ-UHFFFAOYSA-N 1 1 307.394 2.800 20 5 DFBDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559008 185303577 /nfs/dbraw/zinc/30/35/77/185303577.db2.gz PAWHPEWXVURYSP-DZGCQCFKSA-N 1 1 307.394 2.657 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000014925732 398391820 /nfs/dbraw/zinc/39/18/20/398391820.db2.gz CVZSLFVFCKCJKU-OAHLLOKOSA-N 1 1 314.341 2.867 20 5 DFBDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592154399 398393912 /nfs/dbraw/zinc/39/39/12/398393912.db2.gz RQINLMVOEJFNQJ-UKRRQHHQSA-N 1 1 306.410 2.940 20 5 DFBDMO Cc1cccc(N[C@@H](C)C[N@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000596361106 398394410 /nfs/dbraw/zinc/39/44/10/398394410.db2.gz IWPXYQWWICDSKA-AWEZNQCLSA-N 1 1 308.426 2.587 20 5 DFBDMO Cc1cccc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000596361106 398394413 /nfs/dbraw/zinc/39/44/13/398394413.db2.gz IWPXYQWWICDSKA-AWEZNQCLSA-N 1 1 308.426 2.587 20 5 DFBDMO Cc1cc(NC2CC[NH+](C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272812934 210212300 /nfs/dbraw/zinc/21/23/00/210212300.db2.gz HGQMABNAJWRSDW-UHFFFAOYSA-N 1 1 300.362 2.958 20 5 DFBDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248535073 398406789 /nfs/dbraw/zinc/40/67/89/398406789.db2.gz XBLBIDLBFJJAOK-UNEWFSDZSA-N 1 1 322.405 2.845 20 5 DFBDMO CCCN(C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592242062 398406811 /nfs/dbraw/zinc/40/68/11/398406811.db2.gz GGGOPGWDANWEFT-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnn1CC(C)C ZINC000592363619 398416270 /nfs/dbraw/zinc/41/62/70/398416270.db2.gz XYWOSRGLULTUDR-UHFFFAOYSA-N 1 1 318.377 2.746 20 5 DFBDMO CC(C)CC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067377654 398431873 /nfs/dbraw/zinc/43/18/73/398431873.db2.gz QGROACNIUCVUGC-HNNXBMFYSA-N 1 1 305.378 2.678 20 5 DFBDMO Cc1ncsc1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606449 398439466 /nfs/dbraw/zinc/43/94/66/398439466.db2.gz IEWOCTYNHOTKQV-UHFFFAOYSA-N 1 1 303.387 2.961 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000088722130 398440715 /nfs/dbraw/zinc/44/07/15/398440715.db2.gz CYARMOYNYSJTMI-OAHLLOKOSA-N 1 1 319.405 2.594 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccco1 ZINC000026227524 398450545 /nfs/dbraw/zinc/45/05/45/398450545.db2.gz XNRMRVRWLWTACP-UHFFFAOYSA-N 1 1 317.345 2.957 20 5 DFBDMO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000459458829 299111431 /nfs/dbraw/zinc/11/14/31/299111431.db2.gz JRJQKNGTNZDCCS-BETUJISGSA-N 1 1 307.394 2.518 20 5 DFBDMO CCCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000026450438 398453855 /nfs/dbraw/zinc/45/38/55/398453855.db2.gz SBGOKEYQHRTGNF-UHFFFAOYSA-N 1 1 321.377 2.806 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592802787 398487362 /nfs/dbraw/zinc/48/73/62/398487362.db2.gz GQFRMITUGTWTTQ-DGCLKSJQSA-N 1 1 320.393 2.694 20 5 DFBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000459518963 299123839 /nfs/dbraw/zinc/12/38/39/299123839.db2.gz HAWNQYGMWIELKO-NSHDSACASA-N 1 1 324.356 2.587 20 5 DFBDMO Cc1cc(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596821482 398507418 /nfs/dbraw/zinc/50/74/18/398507418.db2.gz WKMAHXLYHDJSCV-CYBMUJFWSA-N 1 1 320.393 2.898 20 5 DFBDMO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](C2CCCC2)CC1 ZINC000589104799 398526785 /nfs/dbraw/zinc/52/67/85/398526785.db2.gz AOYFWDXALTZBNY-UHFFFAOYSA-N 1 1 310.785 2.708 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589111375 398527532 /nfs/dbraw/zinc/52/75/32/398527532.db2.gz GLZVELNIIJJZMY-NSHDSACASA-N 1 1 312.801 2.811 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279684785 215060792 /nfs/dbraw/zinc/06/07/92/215060792.db2.gz FOTKYQIRSVIXMY-OAHLLOKOSA-N 1 1 308.378 2.585 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279684785 215060795 /nfs/dbraw/zinc/06/07/95/215060795.db2.gz FOTKYQIRSVIXMY-OAHLLOKOSA-N 1 1 308.378 2.585 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593053646 398532505 /nfs/dbraw/zinc/53/25/05/398532505.db2.gz JXOYVGOXYJTCMZ-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCn2ccnc2C1 ZINC000589201736 398537276 /nfs/dbraw/zinc/53/72/76/398537276.db2.gz FICHHGAHQXEXGB-GFCCVEGCSA-N 1 1 318.352 2.625 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](C(C)C)CC1 ZINC000069083425 398546725 /nfs/dbraw/zinc/54/67/25/398546725.db2.gz POXYGCGSNUREAL-UHFFFAOYSA-N 1 1 307.394 2.520 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000123903916 185854843 /nfs/dbraw/zinc/85/48/43/185854843.db2.gz APYSSBONFFMZOO-MRXNPFEDSA-N 1 1 308.378 2.729 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000123903916 185854845 /nfs/dbraw/zinc/85/48/45/185854845.db2.gz APYSSBONFFMZOO-MRXNPFEDSA-N 1 1 308.378 2.729 20 5 DFBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000279763467 215125057 /nfs/dbraw/zinc/12/50/57/215125057.db2.gz AUMRGRPYNCJGKM-UHFFFAOYSA-N 1 1 323.780 2.548 20 5 DFBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593128291 398553162 /nfs/dbraw/zinc/55/31/62/398553162.db2.gz DSWLADOBIFULMF-TUKIKUTGSA-N 1 1 318.373 2.787 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000322813616 398559855 /nfs/dbraw/zinc/55/98/55/398559855.db2.gz WIVGVSJRBKVAJC-KRWDZBQOSA-N 1 1 316.357 2.601 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000279939155 215254765 /nfs/dbraw/zinc/25/47/65/215254765.db2.gz XEWYCLWMIISWTR-OCCSQVGLSA-N 1 1 308.378 2.729 20 5 DFBDMO CN1CC(C[N@@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597202490 398589565 /nfs/dbraw/zinc/58/95/65/398589565.db2.gz CSOYKUDIERBSDU-UHFFFAOYSA-N 1 1 315.373 2.848 20 5 DFBDMO CCOc1cc(N2CCC[N@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000092649627 398589662 /nfs/dbraw/zinc/58/96/62/398589662.db2.gz MKGCJKCTDDYJJE-UHFFFAOYSA-N 1 1 307.394 2.914 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)C(O)[C@@H](C)C1 ZINC000597207524 398590453 /nfs/dbraw/zinc/59/04/53/398590453.db2.gz YYPZBBLPJMCNBU-LORPEKBOSA-N 1 1 304.390 2.947 20 5 DFBDMO CC[N@@H+]1C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000590083192 398594316 /nfs/dbraw/zinc/59/43/16/398594316.db2.gz DXXOMLZKJFYPGV-FZMZJTMJSA-N 1 1 300.362 2.895 20 5 DFBDMO CSc1ccc(C(=O)NC[C@@H]2CC[C@H](C)[N@H+]2C)cc1[N+](=O)[O-] ZINC000590340784 398615592 /nfs/dbraw/zinc/61/55/92/398615592.db2.gz SYBWEMKUYPNUBR-JQWIXIFHSA-N 1 1 323.418 2.529 20 5 DFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072697578 398630828 /nfs/dbraw/zinc/63/08/28/398630828.db2.gz IYIUWXWDHTUKBH-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO CCOc1ccc([C@@H](C)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000152557781 186084983 /nfs/dbraw/zinc/08/49/83/186084983.db2.gz BDAAPEZMKYHPCM-GFCCVEGCSA-N 1 1 309.410 2.984 20 5 DFBDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000072751808 398634674 /nfs/dbraw/zinc/63/46/74/398634674.db2.gz TZCPTUOKOKGVDV-UHFFFAOYSA-N 1 1 300.362 2.924 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072770418 398635436 /nfs/dbraw/zinc/63/54/36/398635436.db2.gz NPUDAGSOFFIYLX-TUAOUCFPSA-N 1 1 323.418 2.748 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072770418 398635440 /nfs/dbraw/zinc/63/54/40/398635440.db2.gz NPUDAGSOFFIYLX-TUAOUCFPSA-N 1 1 323.418 2.748 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000593468372 398638750 /nfs/dbraw/zinc/63/87/50/398638750.db2.gz FKKKSSAMBQXFNB-PXAZEXFGSA-N 1 1 312.373 2.673 20 5 DFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593470110 398639487 /nfs/dbraw/zinc/63/94/87/398639487.db2.gz PSHYZJPFOZZWDX-VXGBXAGGSA-N 1 1 300.362 2.672 20 5 DFBDMO CC(C)C[N@@H+](C)CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000593481258 398641632 /nfs/dbraw/zinc/64/16/32/398641632.db2.gz ZLBVYOCRBMGTFA-UHFFFAOYSA-N 1 1 306.410 2.953 20 5 DFBDMO CC[N@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000593476756 398640082 /nfs/dbraw/zinc/64/00/82/398640082.db2.gz YZNXGLWKHYQBAN-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459713292 299170244 /nfs/dbraw/zinc/17/02/44/299170244.db2.gz KTUYAFIUICIVMX-DOMZBBRYSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459713292 299170248 /nfs/dbraw/zinc/17/02/48/299170248.db2.gz KTUYAFIUICIVMX-DOMZBBRYSA-N 1 1 306.337 2.735 20 5 DFBDMO CC[N@@H+](CCCNc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000593489409 398644341 /nfs/dbraw/zinc/64/43/41/398644341.db2.gz TWHXLPNTCYJYTI-UHFFFAOYSA-N 1 1 309.414 2.785 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@H]3CCCC[C@@H]3C1)OCCO2 ZINC000590659222 398647922 /nfs/dbraw/zinc/64/79/22/398647922.db2.gz GWACTSLNFYOQFS-BETUJISGSA-N 1 1 318.373 2.988 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459733919 299175628 /nfs/dbraw/zinc/17/56/28/299175628.db2.gz VCDMSCOCXSTFAH-HUUCEWRRSA-N 1 1 318.373 2.604 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459733919 299175629 /nfs/dbraw/zinc/17/56/29/299175629.db2.gz VCDMSCOCXSTFAH-HUUCEWRRSA-N 1 1 318.373 2.604 20 5 DFBDMO Cn1ccnc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278981362 282745026 /nfs/dbraw/zinc/74/50/26/282745026.db2.gz DAQXCOWSRQTNAE-CQSZACIVSA-N 1 1 300.362 2.841 20 5 DFBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302788226 282746640 /nfs/dbraw/zinc/74/66/40/282746640.db2.gz CBKQGDIZPIGENB-LBPRGKRZSA-N 1 1 318.352 2.927 20 5 DFBDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072492458 191182526 /nfs/dbraw/zinc/18/25/26/191182526.db2.gz RTGJNVWKQXHBDM-GFCCVEGCSA-N 1 1 305.378 2.562 20 5 DFBDMO CC(C)CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000045751851 398682371 /nfs/dbraw/zinc/68/23/71/398682371.db2.gz ZRJQHLCTVLZICK-INIZCTEOSA-N 1 1 322.405 2.845 20 5 DFBDMO C[C@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000073779132 398700074 /nfs/dbraw/zinc/70/00/74/398700074.db2.gz MICXKHSJGUSVHZ-SECBINFHSA-N 1 1 311.769 2.917 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174361825 198324859 /nfs/dbraw/zinc/32/48/59/198324859.db2.gz KBRZQQYNCZNHQP-IUODEOHRSA-N 1 1 320.393 2.789 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000597861892 398706040 /nfs/dbraw/zinc/70/60/40/398706040.db2.gz XUSWEMPVYDOOIH-ZDUSSCGKSA-N 1 1 319.405 2.753 20 5 DFBDMO Cn1cc(C[NH+]2CC(C(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590968826 398710273 /nfs/dbraw/zinc/71/02/73/398710273.db2.gz VKNWNOGRLLTBLR-UHFFFAOYSA-N 1 1 322.315 2.692 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000597921504 398721265 /nfs/dbraw/zinc/72/12/65/398721265.db2.gz GGQZSVMLGOHLJG-CQSZACIVSA-N 1 1 319.405 2.516 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046990011 398729457 /nfs/dbraw/zinc/72/94/57/398729457.db2.gz BGNRSSUILNOSKP-AWEZNQCLSA-N 1 1 319.405 2.979 20 5 DFBDMO Cc1c(C[N@@H+](CCO)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000112698760 398735991 /nfs/dbraw/zinc/73/59/91/398735991.db2.gz RIPBVGKOFYMYAK-UHFFFAOYSA-N 1 1 314.385 2.940 20 5 DFBDMO Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591436449 398760009 /nfs/dbraw/zinc/76/00/09/398760009.db2.gz AFQSQXZEKUUEPH-BLLLJJGKSA-N 1 1 312.373 2.640 20 5 DFBDMO Cc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2cc([N+](=O)[O-])ccc2n1 ZINC000591435838 398760299 /nfs/dbraw/zinc/76/02/99/398760299.db2.gz UOMQFGLJGKQJTA-BETUJISGSA-N 1 1 312.373 2.782 20 5 DFBDMO COc1cc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)ccc1O ZINC000080847456 192195349 /nfs/dbraw/zinc/19/53/49/192195349.db2.gz COSOUMPIXWVIBT-UHFFFAOYSA-N 1 1 302.330 2.941 20 5 DFBDMO Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000074764979 398765047 /nfs/dbraw/zinc/76/50/47/398765047.db2.gz RRZCNHMAXRKZHX-UHFFFAOYSA-N 1 1 304.394 2.753 20 5 DFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269353911 283163586 /nfs/dbraw/zinc/16/35/86/283163586.db2.gz GVQMCCFFIILNGM-PWSUYJOCSA-N 1 1 310.785 2.564 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000598217743 398772633 /nfs/dbraw/zinc/77/26/33/398772633.db2.gz AVCMLQLALWMGLB-GFCCVEGCSA-N 1 1 323.418 2.793 20 5 DFBDMO CCOC[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081521005 192281279 /nfs/dbraw/zinc/28/12/79/192281279.db2.gz JVLYHISWLUEYRD-CQSZACIVSA-N 1 1 308.378 2.722 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCCN1)C1CC1 ZINC000591578040 398773238 /nfs/dbraw/zinc/77/32/38/398773238.db2.gz PAYLWBHBHNJPBI-CVEARBPZSA-N 1 1 303.406 2.648 20 5 DFBDMO CCOc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591578315 398773863 /nfs/dbraw/zinc/77/38/63/398773863.db2.gz QHIWGLBOCDJPRZ-TZMCWYRMSA-N 1 1 307.394 2.786 20 5 DFBDMO CCOc1cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000276929719 213181839 /nfs/dbraw/zinc/18/18/39/213181839.db2.gz QOXSMUFHDWMAES-HDJSIYSDSA-N 1 1 308.378 2.729 20 5 DFBDMO CCOc1cc(C[N@@H+](CC(C)(C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000276888821 213156861 /nfs/dbraw/zinc/15/68/61/213156861.db2.gz JXEYGPIQQQOYKP-UHFFFAOYSA-N 1 1 308.378 2.729 20 5 DFBDMO O=C1Nc2ccccc2CC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594509007 398812572 /nfs/dbraw/zinc/81/25/72/398812572.db2.gz GNFYEUDRLVWZLT-ZDUSSCGKSA-N 1 1 317.370 2.699 20 5 DFBDMO O=C1Nc2ccccc2CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594509006 398812971 /nfs/dbraw/zinc/81/29/71/398812971.db2.gz GNFYEUDRLVWZLT-CYBMUJFWSA-N 1 1 317.370 2.699 20 5 DFBDMO CCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075676440 398816719 /nfs/dbraw/zinc/81/67/19/398816719.db2.gz SKDYZYTXUDDVIH-KBPBESRZSA-N 1 1 319.405 2.894 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000075768942 398821764 /nfs/dbraw/zinc/82/17/64/398821764.db2.gz ZOHAFPOHJZCLHR-UNEWFSDZSA-N 1 1 320.389 2.599 20 5 DFBDMO O=[N+]([O-])c1c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)nc2sccn21 ZINC000594598034 398827780 /nfs/dbraw/zinc/82/77/80/398827780.db2.gz FYSRZGLFXOUPRT-WDEREUQCSA-N 1 1 321.406 2.733 20 5 DFBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000051554748 398823937 /nfs/dbraw/zinc/82/39/37/398823937.db2.gz PPUAHHTYJMWKHO-INIZCTEOSA-N 1 1 308.378 2.865 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594592266 398825712 /nfs/dbraw/zinc/82/57/12/398825712.db2.gz OXNLCNKKVNVUTD-MELADBBJSA-N 1 1 322.409 2.516 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594592266 398825715 /nfs/dbraw/zinc/82/57/15/398825715.db2.gz OXNLCNKKVNVUTD-MELADBBJSA-N 1 1 322.409 2.516 20 5 DFBDMO COc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000076177926 398846203 /nfs/dbraw/zinc/84/62/03/398846203.db2.gz MGLQLOIJDWLXHE-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647134 398846811 /nfs/dbraw/zinc/84/68/11/398846811.db2.gz BWWXKTTXJCMLQE-UKRRQHHQSA-N 1 1 322.405 2.832 20 5 DFBDMO COc1cc(C[N@H+]2CC(C)(C)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000598648789 398847783 /nfs/dbraw/zinc/84/77/83/398847783.db2.gz SFVFUEPPSXIHGT-CYBMUJFWSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000052869347 398853964 /nfs/dbraw/zinc/85/39/64/398853964.db2.gz SRRZGJPPEMHUOX-JSGCOSHPSA-N 1 1 321.377 2.866 20 5 DFBDMO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000052869347 398853968 /nfs/dbraw/zinc/85/39/68/398853968.db2.gz SRRZGJPPEMHUOX-JSGCOSHPSA-N 1 1 321.377 2.866 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000076691207 398865260 /nfs/dbraw/zinc/86/52/60/398865260.db2.gz NLPWIEDXIHRPAK-AWEZNQCLSA-N 1 1 312.373 2.701 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCC(C)C ZINC000053361036 398869924 /nfs/dbraw/zinc/86/99/24/398869924.db2.gz JYTVVLNMVASOKS-LBPRGKRZSA-N 1 1 323.393 2.908 20 5 DFBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000053391575 398871418 /nfs/dbraw/zinc/87/14/18/398871418.db2.gz LAZKLRBETGLXAP-ZDUSSCGKSA-N 1 1 319.405 2.835 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276622813 213006836 /nfs/dbraw/zinc/00/68/36/213006836.db2.gz NDEAKXDVYLQOPU-UHFFFAOYSA-N 1 1 300.362 2.673 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053778426 398881995 /nfs/dbraw/zinc/88/19/95/398881995.db2.gz RRBBOPCEDDKHNK-CQSZACIVSA-N 1 1 317.389 2.748 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[NH+]1CCCCC1 ZINC000595003003 398889499 /nfs/dbraw/zinc/88/94/99/398889499.db2.gz AVVQGTCBASEOTA-CYBMUJFWSA-N 1 1 307.394 2.740 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000595007372 398890144 /nfs/dbraw/zinc/89/01/44/398890144.db2.gz IERHAOOIGROEOB-BLLLJJGKSA-N 1 1 316.357 2.988 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccccc1CO ZINC000595010389 398891161 /nfs/dbraw/zinc/89/11/61/398891161.db2.gz BNSHKAVJFCRPIB-GFCCVEGCSA-N 1 1 316.357 2.947 20 5 DFBDMO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)ccn1 ZINC000595007448 398890938 /nfs/dbraw/zinc/89/09/38/398890938.db2.gz NKHRFKDBZPHZBY-NSHDSACASA-N 1 1 317.345 2.858 20 5 DFBDMO CC[N@@H+](CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595045200 398897280 /nfs/dbraw/zinc/89/72/80/398897280.db2.gz YGWVJUXCKNXGPT-LBPRGKRZSA-N 1 1 307.394 2.738 20 5 DFBDMO CCN(CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595045200 398897284 /nfs/dbraw/zinc/89/72/84/398897284.db2.gz YGWVJUXCKNXGPT-LBPRGKRZSA-N 1 1 307.394 2.738 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2c(F)ccc(F)c2Cl)c1 ZINC000598966940 398900029 /nfs/dbraw/zinc/90/00/29/398900029.db2.gz ACZIHQGJMPLBJN-UHFFFAOYSA-N 1 1 316.695 2.513 20 5 DFBDMO COC(=O)[C@H](C)C[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174038 299293379 /nfs/dbraw/zinc/29/33/79/299293379.db2.gz HMFCAQYDDAHWHN-YQCJOKCJSA-N 1 1 306.362 2.739 20 5 DFBDMO COC(=O)[C@@H](C)C[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174037 299293215 /nfs/dbraw/zinc/29/32/15/299293215.db2.gz HMFCAQYDDAHWHN-RPHSKFLZSA-N 1 1 306.362 2.739 20 5 DFBDMO O=[N+]([O-])c1c(N[C@@H]2CCc3[nH+]ccn3C2)ccc2cnccc21 ZINC000599026452 398909745 /nfs/dbraw/zinc/90/97/45/398909745.db2.gz AUOYOGHFAYMCPD-GFCCVEGCSA-N 1 1 309.329 2.766 20 5 DFBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000599022409 398909312 /nfs/dbraw/zinc/90/93/12/398909312.db2.gz MOKPDIJSBFKDSF-AWEZNQCLSA-N 1 1 312.373 2.818 20 5 DFBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599039282 398911320 /nfs/dbraw/zinc/91/13/20/398911320.db2.gz RCJBWMLXJKONTI-GFCCVEGCSA-N 1 1 300.362 2.531 20 5 DFBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599039285 398911661 /nfs/dbraw/zinc/91/16/61/398911661.db2.gz RCJBWMLXJKONTI-LBPRGKRZSA-N 1 1 300.362 2.531 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000187571782 200129426 /nfs/dbraw/zinc/12/94/26/200129426.db2.gz BTTXWVJLQCCTRU-QGZVFWFLSA-N 1 1 322.405 2.978 20 5 DFBDMO CCC(F)(F)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599068490 398916507 /nfs/dbraw/zinc/91/65/07/398916507.db2.gz NIMVGPMWLIEZKS-GHMZBOCLSA-N 1 1 302.325 2.910 20 5 DFBDMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595301688 398919568 /nfs/dbraw/zinc/91/95/68/398919568.db2.gz MZULNUIBQRHOPX-ZDUSSCGKSA-N 1 1 310.325 2.652 20 5 DFBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595301688 398919571 /nfs/dbraw/zinc/91/95/71/398919571.db2.gz MZULNUIBQRHOPX-ZDUSSCGKSA-N 1 1 310.325 2.652 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)nc1 ZINC000595370203 398928172 /nfs/dbraw/zinc/92/81/72/398928172.db2.gz DMWCKJAYEUEEBH-CRWXNKLISA-N 1 1 302.378 2.522 20 5 DFBDMO Cc1noc(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000595363616 398927505 /nfs/dbraw/zinc/92/75/05/398927505.db2.gz FEJJHONGJTZHEO-MBNYWOFBSA-N 1 1 322.409 2.728 20 5 DFBDMO Cc1cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000055405416 398929259 /nfs/dbraw/zinc/92/92/59/398929259.db2.gz HSQKCFLUWHDHJF-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000595387912 398930675 /nfs/dbraw/zinc/93/06/75/398930675.db2.gz FAUNKQYXFIRCMZ-OCCSQVGLSA-N 1 1 308.353 2.982 20 5 DFBDMO CCC1(CC)[C@H]([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1OC ZINC000595382453 398930138 /nfs/dbraw/zinc/93/01/38/398930138.db2.gz IQCREGUASNHSKH-OLZOCXBDSA-N 1 1 311.382 2.917 20 5 DFBDMO CCC1(CC)[C@H]([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1OC ZINC000595382453 398930140 /nfs/dbraw/zinc/93/01/40/398930140.db2.gz IQCREGUASNHSKH-OLZOCXBDSA-N 1 1 311.382 2.917 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152729850 398933058 /nfs/dbraw/zinc/93/30/58/398933058.db2.gz WEQQWUXVIVWFMQ-BETUJISGSA-N 1 1 303.362 2.574 20 5 DFBDMO CC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000078022624 398934775 /nfs/dbraw/zinc/93/47/75/398934775.db2.gz YNSUNHGJNBHQSS-INIZCTEOSA-N 1 1 305.378 2.574 20 5 DFBDMO CC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000078022624 398934778 /nfs/dbraw/zinc/93/47/78/398934778.db2.gz YNSUNHGJNBHQSS-INIZCTEOSA-N 1 1 305.378 2.574 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281237176 216175534 /nfs/dbraw/zinc/17/55/34/216175534.db2.gz LLFOKLIUAXLDCI-ZDUSSCGKSA-N 1 1 324.377 2.613 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281237176 216175536 /nfs/dbraw/zinc/17/55/36/216175536.db2.gz LLFOKLIUAXLDCI-ZDUSSCGKSA-N 1 1 324.377 2.613 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332931 398948668 /nfs/dbraw/zinc/94/86/68/398948668.db2.gz BQRHPUBKPYCJJZ-YPMHNXCESA-N 1 1 322.365 2.670 20 5 DFBDMO CC(=O)c1ccc(NCCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000078333399 398949034 /nfs/dbraw/zinc/94/90/34/398949034.db2.gz PFRDDEHEGUJHFZ-UHFFFAOYSA-N 1 1 302.334 2.805 20 5 DFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000595503320 398952520 /nfs/dbraw/zinc/95/25/20/398952520.db2.gz RJCLTMALPSJHFV-MRXNPFEDSA-N 1 1 318.348 2.769 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOC1CCOCC1)C1CC1 ZINC000599335106 398955368 /nfs/dbraw/zinc/95/53/68/398955368.db2.gz MPGPWSPTCAMVKY-UHFFFAOYSA-N 1 1 320.389 2.755 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOC1CCOCC1)C1CC1 ZINC000599335106 398955371 /nfs/dbraw/zinc/95/53/71/398955371.db2.gz MPGPWSPTCAMVKY-UHFFFAOYSA-N 1 1 320.389 2.755 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000471951167 299316613 /nfs/dbraw/zinc/31/66/13/299316613.db2.gz BDSGHWIROYDQIT-UHFFFAOYSA-N 1 1 307.394 2.619 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000595528448 398957414 /nfs/dbraw/zinc/95/74/14/398957414.db2.gz YGPIDVQXGFFJDE-ZDUSSCGKSA-N 1 1 317.345 2.971 20 5 DFBDMO CC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000595535976 398959377 /nfs/dbraw/zinc/95/93/77/398959377.db2.gz LEDLPFHORQKEKN-CYBMUJFWSA-N 1 1 307.394 2.520 20 5 DFBDMO CCc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000471962028 299317596 /nfs/dbraw/zinc/31/75/96/299317596.db2.gz ZEDMRCYVINNNDF-OAHLLOKOSA-N 1 1 319.405 2.761 20 5 DFBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000193622279 201089662 /nfs/dbraw/zinc/08/96/62/201089662.db2.gz FVROLXRITCOMPT-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000193622279 201089665 /nfs/dbraw/zinc/08/96/65/201089665.db2.gz FVROLXRITCOMPT-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO CCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193936840 201148845 /nfs/dbraw/zinc/14/88/45/201148845.db2.gz WTCCQXUQBIYWEZ-UHFFFAOYSA-N 1 1 311.338 2.752 20 5 DFBDMO CCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193936840 201148848 /nfs/dbraw/zinc/14/88/48/201148848.db2.gz WTCCQXUQBIYWEZ-UHFFFAOYSA-N 1 1 311.338 2.752 20 5 DFBDMO CCOC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193962252 201154409 /nfs/dbraw/zinc/15/44/09/201154409.db2.gz XLUMJWKNWGTPTB-LBPRGKRZSA-N 1 1 323.349 2.752 20 5 DFBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193962252 201154412 /nfs/dbraw/zinc/15/44/12/201154412.db2.gz XLUMJWKNWGTPTB-LBPRGKRZSA-N 1 1 323.349 2.752 20 5 DFBDMO CCOC(=O)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000006492002 181345658 /nfs/dbraw/zinc/34/56/58/181345658.db2.gz BLLGMVCBKXJMCR-KKTNHOPESA-N 1 1 318.373 2.883 20 5 DFBDMO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCc2sccc2C1 ZINC000195508155 201397227 /nfs/dbraw/zinc/39/72/27/201397227.db2.gz BTSWJOZUXAOFEX-SECBINFHSA-N 1 1 324.431 2.972 20 5 DFBDMO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@H+]1CCc2sccc2C1 ZINC000195508155 201397230 /nfs/dbraw/zinc/39/72/30/201397230.db2.gz BTSWJOZUXAOFEX-SECBINFHSA-N 1 1 324.431 2.972 20 5 DFBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600229047 399013610 /nfs/dbraw/zinc/01/36/10/399013610.db2.gz NXJLYUBYECWECK-MRXNPFEDSA-N 1 1 317.389 2.732 20 5 DFBDMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1(C)COC1 ZINC000599571298 399017775 /nfs/dbraw/zinc/01/77/75/399017775.db2.gz BIMSCMLBTNWEIA-UHFFFAOYSA-N 1 1 317.345 2.718 20 5 DFBDMO CC(=O)c1ccc(NC[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000618168005 399029090 /nfs/dbraw/zinc/02/90/90/399029090.db2.gz UXLGHRAHSORQJW-LBPRGKRZSA-N 1 1 314.345 2.668 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091855785 193118339 /nfs/dbraw/zinc/11/83/39/193118339.db2.gz SIZNCXGRBSWQQG-KADIJHKTSA-N 1 1 320.414 2.814 20 5 DFBDMO COC(=O)CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000091922688 193127184 /nfs/dbraw/zinc/12/71/84/193127184.db2.gz IZWWUTBPCGNFRN-UHFFFAOYSA-N 1 1 308.378 2.924 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639275 399038542 /nfs/dbraw/zinc/03/85/42/399038542.db2.gz AOURCAWUJFQIID-WMLDXEAASA-N 1 1 320.389 2.588 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639629 399039038 /nfs/dbraw/zinc/03/90/38/399039038.db2.gz KNTQURFYFUDQQH-SWLSCSKDSA-N 1 1 310.781 2.843 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639629 399039041 /nfs/dbraw/zinc/03/90/41/399039041.db2.gz KNTQURFYFUDQQH-SWLSCSKDSA-N 1 1 310.781 2.843 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000595696407 399039569 /nfs/dbraw/zinc/03/95/69/399039569.db2.gz KPSIECDAFNRIEJ-OCCSQVGLSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595701117 399044728 /nfs/dbraw/zinc/04/47/28/399044728.db2.gz PWHFWUBJPCWGLG-YOEHRIQHSA-N 1 1 322.405 2.847 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CCO)cc1[N+](=O)[O-] ZINC000595697605 399041117 /nfs/dbraw/zinc/04/11/17/399041117.db2.gz LYTSINIQWXPUQT-GXTWGEPZSA-N 1 1 308.378 2.586 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000599655388 399048888 /nfs/dbraw/zinc/04/88/88/399048888.db2.gz VZTFGOKGGHZOTO-SQWLQELKSA-N 1 1 318.373 2.758 20 5 DFBDMO CN(C(=O)C[N@H+]1C[C@@H]2CCCC[C@@]21C)c1ccc([N+](=O)[O-])cc1 ZINC000599674358 399056251 /nfs/dbraw/zinc/05/62/51/399056251.db2.gz DRGSMPJXJNFTFT-GUYCJALGSA-N 1 1 317.389 2.822 20 5 DFBDMO CC(C)N(C(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000271796576 209223631 /nfs/dbraw/zinc/22/36/31/209223631.db2.gz VUMQJWBBOGBKPR-CYBMUJFWSA-N 1 1 307.394 2.891 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000595749084 399069394 /nfs/dbraw/zinc/06/93/94/399069394.db2.gz DFWUOBFEOKYBIY-KRWDZBQOSA-N 1 1 320.389 2.730 20 5 DFBDMO CCC1(CC)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595753172 399070301 /nfs/dbraw/zinc/07/03/01/399070301.db2.gz RBZVTDFTAAEAHB-UHFFFAOYSA-N 1 1 307.394 2.659 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595760164 399073532 /nfs/dbraw/zinc/07/35/32/399073532.db2.gz SGPFYBJBYZEYQI-YOEHRIQHSA-N 1 1 320.389 2.850 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000293158134 223422741 /nfs/dbraw/zinc/42/27/41/223422741.db2.gz RIUOZAXGXXPMHY-LLVKDONJSA-N 1 1 304.268 2.570 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000293158134 223422742 /nfs/dbraw/zinc/42/27/42/223422742.db2.gz RIUOZAXGXXPMHY-LLVKDONJSA-N 1 1 304.268 2.570 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301544251 284028829 /nfs/dbraw/zinc/02/88/29/284028829.db2.gz OYKDFTVNNPTCJT-LLVKDONJSA-N 1 1 311.357 2.521 20 5 DFBDMO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271714835 296115826 /nfs/dbraw/zinc/11/58/26/296115826.db2.gz JTCQSFRACGKQNF-HZSPNIEDSA-N 1 1 319.405 2.750 20 5 DFBDMO Cc1[nH+]ccn1CCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000600569152 399083995 /nfs/dbraw/zinc/08/39/95/399083995.db2.gz LJSIMSUHZIAVLD-UHFFFAOYSA-N 1 1 307.375 2.912 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807789 399092176 /nfs/dbraw/zinc/09/21/76/399092176.db2.gz ANEIMRZBMYXIIC-CHWSQXEVSA-N 1 1 303.362 2.574 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(Cn2cc[nH+]c2C2CC2)c1 ZINC000600611965 399097681 /nfs/dbraw/zinc/09/76/81/399097681.db2.gz XMXCVZQEEOZCSU-UHFFFAOYSA-N 1 1 301.302 2.504 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595828533 399102555 /nfs/dbraw/zinc/10/25/55/399102555.db2.gz UEMUEBIHDMZDMT-CQSZACIVSA-N 1 1 316.361 2.602 20 5 DFBDMO Cc1noc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595828533 399102561 /nfs/dbraw/zinc/10/25/61/399102561.db2.gz UEMUEBIHDMZDMT-CQSZACIVSA-N 1 1 316.361 2.602 20 5 DFBDMO C[C@@H](NC[C@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269020703 296134600 /nfs/dbraw/zinc/13/46/00/296134600.db2.gz ZZOSZVUJMXWBDW-IUODEOHRSA-N 1 1 309.435 2.683 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419371991 296137134 /nfs/dbraw/zinc/13/71/34/296137134.db2.gz LWXVIXNLLXRIQK-MROQNXINSA-N 1 1 305.378 2.898 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419379360 296137928 /nfs/dbraw/zinc/13/79/28/296137928.db2.gz WPUIJMWBQVCYET-MROQNXINSA-N 1 1 305.378 2.898 20 5 DFBDMO CCCCC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595869425 399117869 /nfs/dbraw/zinc/11/78/69/399117869.db2.gz AWHLPJZWJIOZLX-GDBMZVCRSA-N 1 1 324.425 2.587 20 5 DFBDMO NC(=O)c1ccc(C[N@@H+](CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000595871351 399117169 /nfs/dbraw/zinc/11/71/69/399117169.db2.gz KPBHMMVKVXUITM-UHFFFAOYSA-N 1 1 317.389 2.706 20 5 DFBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093360918 193238229 /nfs/dbraw/zinc/23/82/29/193238229.db2.gz NKUSGWNHDUADFS-AWEZNQCLSA-N 1 1 319.405 2.676 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC3CC2(C)C3)cccc1[N+](=O)[O-] ZINC000595915747 399135534 /nfs/dbraw/zinc/13/55/34/399135534.db2.gz NAIJDIJNHXBSHC-OPGSHWCFSA-N 1 1 303.362 2.715 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC3CC2(C)C3)cccc1[N+](=O)[O-] ZINC000595915747 399135536 /nfs/dbraw/zinc/13/55/36/399135536.db2.gz NAIJDIJNHXBSHC-OPGSHWCFSA-N 1 1 303.362 2.715 20 5 DFBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCC[C@H](C)C1 ZINC000060555522 399136976 /nfs/dbraw/zinc/13/69/76/399136976.db2.gz LHARXVJHGIXTNT-WDEREUQCSA-N 1 1 311.407 2.507 20 5 DFBDMO CCOc1cc(NC[C@@H]2CC[NH2+]CC2(F)F)ccc1[N+](=O)[O-] ZINC000420270692 296167994 /nfs/dbraw/zinc/16/79/94/296167994.db2.gz CITFUVBOKCDLRC-JTQLQIEISA-N 1 1 315.320 2.650 20 5 DFBDMO Cc1nn(C)c(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000264764774 204140140 /nfs/dbraw/zinc/14/01/40/204140140.db2.gz OCYKVYJCNLUODR-LBPRGKRZSA-N 1 1 317.393 2.569 20 5 DFBDMO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000600826225 399156990 /nfs/dbraw/zinc/15/69/90/399156990.db2.gz XFLMUNUFSHKCRL-GFCCVEGCSA-N 1 1 305.378 2.565 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264945246 204291726 /nfs/dbraw/zinc/29/17/26/204291726.db2.gz IRDIFXUBSXMZRI-NSHDSACASA-N 1 1 311.407 2.651 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000282547851 217080167 /nfs/dbraw/zinc/08/01/67/217080167.db2.gz WVPWRXPRUBDJFO-OAHLLOKOSA-N 1 1 318.373 2.555 20 5 DFBDMO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000596108042 399175959 /nfs/dbraw/zinc/17/59/59/399175959.db2.gz KXGZZKRPLDGUSY-VIFPVBQESA-N 1 1 307.741 2.750 20 5 DFBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1C(F)(F)F ZINC000596115198 399179313 /nfs/dbraw/zinc/17/93/13/399179313.db2.gz LYQBJOQOURNEMQ-NSHDSACASA-N 1 1 315.295 2.898 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000614222940 399179539 /nfs/dbraw/zinc/17/95/39/399179539.db2.gz STXQMTIMTOKQLQ-UHFFFAOYSA-N 1 1 320.389 2.866 20 5 DFBDMO Cc1cc(C)c(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000600941911 399182359 /nfs/dbraw/zinc/18/23/59/399182359.db2.gz NMNMECNLXCGGTB-UHFFFAOYSA-N 1 1 320.370 2.889 20 5 DFBDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614252418 399189747 /nfs/dbraw/zinc/18/97/47/399189747.db2.gz RXVRWOCAYFURHP-AAEUAGOBSA-N 1 1 306.362 2.986 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000266183617 205165535 /nfs/dbraw/zinc/16/55/35/205165535.db2.gz SSVFDQWHFRSMTK-ZDUSSCGKSA-N 1 1 323.368 2.680 20 5 DFBDMO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000600997271 399199217 /nfs/dbraw/zinc/19/92/17/399199217.db2.gz UXIFYAKTHNPIBO-NWDGAFQWSA-N 1 1 323.368 2.727 20 5 DFBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000420637939 296194860 /nfs/dbraw/zinc/19/48/60/296194860.db2.gz PQMXBDGXFMCCPW-CQSZACIVSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(=O)c1cc(NC[C@@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000288494011 220179238 /nfs/dbraw/zinc/17/92/38/220179238.db2.gz SYPDJLUGLPPAGM-LBPRGKRZSA-N 1 1 314.345 2.668 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cn[nH]c2)cc(C(F)(F)F)c1 ZINC000618731777 399224580 /nfs/dbraw/zinc/22/45/80/399224580.db2.gz OOWNCHBSOVADEJ-UHFFFAOYSA-N 1 1 300.240 2.627 20 5 DFBDMO O=[N+]([O-])c1ccc2nccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000601104798 399228008 /nfs/dbraw/zinc/22/80/08/399228008.db2.gz HELIQTWLBLNNLO-OLZOCXBDSA-N 1 1 312.373 2.604 20 5 DFBDMO Cn1ncc2c1CCC[C@H]2Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601104098 399227577 /nfs/dbraw/zinc/22/75/77/399227577.db2.gz PEKWFKXKYFSRBH-OAHLLOKOSA-N 1 1 323.356 2.788 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601112785 399231088 /nfs/dbraw/zinc/23/10/88/399231088.db2.gz FGCAAONBXJAWHL-LBPRGKRZSA-N 1 1 319.340 2.729 20 5 DFBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000601132105 399236105 /nfs/dbraw/zinc/23/61/05/399236105.db2.gz AMGMPZVSXYGTMX-BXUZGUMPSA-N 1 1 320.368 2.582 20 5 DFBDMO Cn1cnnc1[C@@H]1CCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601135176 399237353 /nfs/dbraw/zinc/23/73/53/399237353.db2.gz BEQXFIDLISPCEY-HNNXBMFYSA-N 1 1 324.344 2.613 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3CC34CCOCC4)c2c1 ZINC000601148947 399240775 /nfs/dbraw/zinc/24/07/75/399240775.db2.gz CDPSZQRHEBUGMM-GFCCVEGCSA-N 1 1 313.357 2.794 20 5 DFBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(F)(F)F ZINC000601151070 399241897 /nfs/dbraw/zinc/24/18/97/399241897.db2.gz NLVBEMAIPIOMFF-WKEGUHRASA-N 1 1 312.675 2.650 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000420957254 296217769 /nfs/dbraw/zinc/21/77/69/296217769.db2.gz AAJURBWNZQIPPJ-AWEZNQCLSA-N 1 1 317.389 2.706 20 5 DFBDMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000023991310 182371526 /nfs/dbraw/zinc/37/15/26/182371526.db2.gz HVDDKSYURPLYON-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000023991310 182371527 /nfs/dbraw/zinc/37/15/27/182371527.db2.gz HVDDKSYURPLYON-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO C[C@@H]1C[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@H](C)O1 ZINC000601175980 399248422 /nfs/dbraw/zinc/24/84/22/399248422.db2.gz MILZCEFJGBPBFN-GRYCIOLGSA-N 1 1 301.346 2.790 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3ccnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601179127 399249181 /nfs/dbraw/zinc/24/91/81/399249181.db2.gz MKUQKBYYXCQQFC-YVEFUNNKSA-N 1 1 312.373 2.673 20 5 DFBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000601189271 399251232 /nfs/dbraw/zinc/25/12/32/399251232.db2.gz PKPMSVUYVIQIKD-ZDUSSCGKSA-N 1 1 322.409 2.698 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000601188392 399251400 /nfs/dbraw/zinc/25/14/00/399251400.db2.gz GBFGIJAKQJKUBU-SNVBAGLBSA-N 1 1 321.406 2.520 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@](O)(C4CC4)C3)c2c1 ZINC000601194878 399252701 /nfs/dbraw/zinc/25/27/01/399252701.db2.gz VBXNNOAJJLTMPT-QGZVFWFLSA-N 1 1 313.357 2.884 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC[C@H]3CCCOC3)c2c1 ZINC000601201814 399253959 /nfs/dbraw/zinc/25/39/59/399253959.db2.gz UVZTWSNHQHKTOK-GFCCVEGCSA-N 1 1 301.346 2.794 20 5 DFBDMO C[C@@H]1C[C@H](CO)CCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601203655 399254669 /nfs/dbraw/zinc/25/46/69/399254669.db2.gz GNDHCQWCDOAFMC-VXGBXAGGSA-N 1 1 301.346 2.740 20 5 DFBDMO Cc1c(Cl)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])nn1C ZINC000421361449 296248333 /nfs/dbraw/zinc/24/83/33/296248333.db2.gz GSWBAHJIFYRBIN-UHFFFAOYSA-N 1 1 308.769 2.622 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000421362900 296248349 /nfs/dbraw/zinc/24/83/49/296248349.db2.gz OHCLKUOQAVJHMB-HWRHMDFFSA-N 1 1 304.390 2.948 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000601321711 399277898 /nfs/dbraw/zinc/27/78/98/399277898.db2.gz VDZURMYROBICJQ-RISCZKNCSA-N 1 1 316.361 2.986 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601540185 399298099 /nfs/dbraw/zinc/29/80/99/399298099.db2.gz DZYQQSSISUZJPR-CYBMUJFWSA-N 1 1 323.368 2.584 20 5 DFBDMO CC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000609540922 399321943 /nfs/dbraw/zinc/32/19/43/399321943.db2.gz RWJBDQACTHLMPX-DZGCQCFKSA-N 1 1 308.378 2.863 20 5 DFBDMO CC(C)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421709628 296272891 /nfs/dbraw/zinc/27/28/91/296272891.db2.gz GEPZKGCNSCZNKD-AWEZNQCLSA-N 1 1 319.405 2.884 20 5 DFBDMO CC(C)c1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421709629 296272899 /nfs/dbraw/zinc/27/28/99/296272899.db2.gz GEPZKGCNSCZNKD-CQSZACIVSA-N 1 1 319.405 2.884 20 5 DFBDMO CCOCC[N@@H+]1CCN(c2ccsc2[N+](=O)[O-])C[C@@H]1CC ZINC000609738813 399330330 /nfs/dbraw/zinc/33/03/30/399330330.db2.gz DHBXOGHIAISGPW-LBPRGKRZSA-N 1 1 313.423 2.593 20 5 DFBDMO CCOCC[N@H+]1CCN(c2ccsc2[N+](=O)[O-])C[C@@H]1CC ZINC000609738813 399330332 /nfs/dbraw/zinc/33/03/32/399330332.db2.gz DHBXOGHIAISGPW-LBPRGKRZSA-N 1 1 313.423 2.593 20 5 DFBDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000610133301 399343819 /nfs/dbraw/zinc/34/38/19/399343819.db2.gz BRAZZIHQOOMYNF-GHMZBOCLSA-N 1 1 302.334 2.875 20 5 DFBDMO C[C@@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104668062 194022700 /nfs/dbraw/zinc/02/27/00/194022700.db2.gz WQSQSGPQMPRYSO-GFCCVEGCSA-N 1 1 317.345 2.513 20 5 DFBDMO C[C@@H]1COCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104668062 194022703 /nfs/dbraw/zinc/02/27/03/194022703.db2.gz WQSQSGPQMPRYSO-GFCCVEGCSA-N 1 1 317.345 2.513 20 5 DFBDMO CC[N@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000104953986 194056060 /nfs/dbraw/zinc/05/60/60/194056060.db2.gz DXLXYCZTNXNRGH-UHFFFAOYSA-N 1 1 321.421 2.910 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1N(C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000619492844 399353530 /nfs/dbraw/zinc/35/35/30/399353530.db2.gz OQKHQHASAJYABN-CYBMUJFWSA-N 1 1 300.362 2.799 20 5 DFBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610281775 399353537 /nfs/dbraw/zinc/35/35/37/399353537.db2.gz KCMZUBPZAIENEF-HNNXBMFYSA-N 1 1 312.373 2.701 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284787407 218178537 /nfs/dbraw/zinc/17/85/37/218178537.db2.gz NTYXCGLZNVLHEH-JKSUJKDBSA-N 1 1 306.362 2.617 20 5 DFBDMO CCc1ccc(C(=O)N2CCC[N@H+](C)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000619566946 399362986 /nfs/dbraw/zinc/36/29/86/399362986.db2.gz BSOCTWBALMEBAR-HNNXBMFYSA-N 1 1 319.405 2.714 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000610369515 399362294 /nfs/dbraw/zinc/36/22/94/399362294.db2.gz HWWXYLOWVUZGBZ-ZIAGYGMSSA-N 1 1 317.389 2.743 20 5 DFBDMO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000284923792 218237586 /nfs/dbraw/zinc/23/75/86/218237586.db2.gz UVLCQJMKEIIGRO-DJIMGWMZSA-N 1 1 320.389 2.611 20 5 DFBDMO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000284923792 218237587 /nfs/dbraw/zinc/23/75/87/218237587.db2.gz UVLCQJMKEIIGRO-DJIMGWMZSA-N 1 1 320.389 2.611 20 5 DFBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1F ZINC000610447519 399368875 /nfs/dbraw/zinc/36/88/75/399368875.db2.gz DFCJYODPKDLHMW-UHFFFAOYSA-N 1 1 306.341 2.843 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601969900 399371637 /nfs/dbraw/zinc/37/16/37/399371637.db2.gz MPLMSPPYDFJNJK-IUODEOHRSA-N 1 1 305.378 2.599 20 5 DFBDMO CCOCC[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000106120053 194187628 /nfs/dbraw/zinc/18/76/28/194187628.db2.gz ZOQZKAOFHJXKBR-INIZCTEOSA-N 1 1 321.421 2.528 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H]4CCC[C@@H]43)n2)c1 ZINC000610585568 399383936 /nfs/dbraw/zinc/38/39/36/399383936.db2.gz UPCIXXYSFMJJKY-YPMHNXCESA-N 1 1 300.318 2.629 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@H]4CCC[C@@H]43)n2)c1 ZINC000610585568 399383938 /nfs/dbraw/zinc/38/39/38/399383938.db2.gz UPCIXXYSFMJJKY-YPMHNXCESA-N 1 1 300.318 2.629 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccccc1F ZINC000285174740 218319888 /nfs/dbraw/zinc/31/98/88/218319888.db2.gz BGQFEXAHPKIGPV-QGZVFWFLSA-N 1 1 318.348 2.942 20 5 DFBDMO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C[NH3+] ZINC000602021631 399386315 /nfs/dbraw/zinc/38/63/15/399386315.db2.gz QTNQYQQWOOBGJG-GXTWGEPZSA-N 1 1 315.373 2.881 20 5 DFBDMO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602025822 399386748 /nfs/dbraw/zinc/38/67/48/399386748.db2.gz HVINICWJHSNGRJ-AWEZNQCLSA-N 1 1 303.362 2.859 20 5 DFBDMO Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602025822 399386750 /nfs/dbraw/zinc/38/67/50/399386750.db2.gz HVINICWJHSNGRJ-AWEZNQCLSA-N 1 1 303.362 2.859 20 5 DFBDMO Cc1sc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106791390 194253262 /nfs/dbraw/zinc/25/32/62/194253262.db2.gz BHFQDDSRSWDJII-NSHDSACASA-N 1 1 323.418 2.711 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2c(ncn2C)C1 ZINC000615833769 399387277 /nfs/dbraw/zinc/38/72/77/399387277.db2.gz VGPMLAVHJYNRBI-MDWZMJQESA-N 1 1 312.373 2.790 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(ncn2C)C1 ZINC000615833769 399387281 /nfs/dbraw/zinc/38/72/81/399387281.db2.gz VGPMLAVHJYNRBI-MDWZMJQESA-N 1 1 312.373 2.790 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000610678128 399392121 /nfs/dbraw/zinc/39/21/21/399392121.db2.gz DDLWKMIOIFQGLP-ABAIWWIYSA-N 1 1 300.362 2.895 20 5 DFBDMO CCOC(=O)c1cc(N[C@@H]2C[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000610716243 399396438 /nfs/dbraw/zinc/39/64/38/399396438.db2.gz FGBWETUELWYDHL-SMDDNHRTSA-N 1 1 321.377 2.524 20 5 DFBDMO COc1ccc(NC(=O)Cn2cc[nH+]c2C(C)C)cc1[N+](=O)[O-] ZINC000602129628 399398943 /nfs/dbraw/zinc/39/89/43/399398943.db2.gz GQNFKQOLVZRNJR-UHFFFAOYSA-N 1 1 318.333 2.562 20 5 DFBDMO C[C@@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000602135286 399400143 /nfs/dbraw/zinc/40/01/43/399400143.db2.gz ZGKWWEABSDBKMR-MLGOLLRUSA-N 1 1 317.389 2.789 20 5 DFBDMO Cn1cc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602453777 399448869 /nfs/dbraw/zinc/44/88/69/399448869.db2.gz OXHFLXKQUBEQAG-INIZCTEOSA-N 1 1 314.389 2.926 20 5 DFBDMO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602459848 399450620 /nfs/dbraw/zinc/45/06/20/399450620.db2.gz VFYCIWOFVSZDQY-MRXNPFEDSA-N 1 1 314.389 2.844 20 5 DFBDMO Cc1ccccc1[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602465612 399451577 /nfs/dbraw/zinc/45/15/77/399451577.db2.gz SQVBKFOUZLGCHF-CYBMUJFWSA-N 1 1 300.362 2.626 20 5 DFBDMO COc1cc(N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000611255919 399452418 /nfs/dbraw/zinc/45/24/18/399452418.db2.gz UMFACRWSRZLBMM-CHWSQXEVSA-N 1 1 323.368 2.806 20 5 DFBDMO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602487699 399460129 /nfs/dbraw/zinc/46/01/29/399460129.db2.gz XTFRKOKFEWFAID-KGLIPLIRSA-N 1 1 324.425 2.744 20 5 DFBDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602487699 399460131 /nfs/dbraw/zinc/46/01/31/399460131.db2.gz XTFRKOKFEWFAID-KGLIPLIRSA-N 1 1 324.425 2.744 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@@H]3C1)OCCO2 ZINC000611272006 399455600 /nfs/dbraw/zinc/45/56/00/399455600.db2.gz SQEIFZREIZHKFO-TXEJJXNPSA-N 1 1 304.346 2.598 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC3(CCC3)C1)OCCO2 ZINC000611272035 399455700 /nfs/dbraw/zinc/45/57/00/399455700.db2.gz KDMVKRYSWGKZKG-UHFFFAOYSA-N 1 1 304.346 2.742 20 5 DFBDMO CSC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274729 399456780 /nfs/dbraw/zinc/45/67/80/399456780.db2.gz PRBXXNGCDPWDDD-GFCCVEGCSA-N 1 1 324.402 2.693 20 5 DFBDMO CCOCC[N@@H+]1CCN(c2sccc2[N+](=O)[O-])C[C@H]1CC ZINC000611290211 399459205 /nfs/dbraw/zinc/45/92/05/399459205.db2.gz YDNFUYQHGVOMBI-GFCCVEGCSA-N 1 1 313.423 2.593 20 5 DFBDMO CCOCC[N@H+]1CCN(c2sccc2[N+](=O)[O-])C[C@H]1CC ZINC000611290211 399459209 /nfs/dbraw/zinc/45/92/09/399459209.db2.gz YDNFUYQHGVOMBI-GFCCVEGCSA-N 1 1 313.423 2.593 20 5 DFBDMO Cn1cc(C[N@H+]2CCSC3(CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602487794 399459846 /nfs/dbraw/zinc/45/98/46/399459846.db2.gz UORCLQGWWXCTMX-UHFFFAOYSA-N 1 1 310.423 2.580 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066186408 184395685 /nfs/dbraw/zinc/39/56/85/184395685.db2.gz QGEMRPTTYKPRQQ-STQMWFEESA-N 1 1 322.409 2.685 20 5 DFBDMO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000611498396 399482366 /nfs/dbraw/zinc/48/23/66/399482366.db2.gz NPONXYFCODYEDV-JOCHJYFZSA-N 1 1 322.361 2.761 20 5 DFBDMO C[S@](=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000611498398 399482477 /nfs/dbraw/zinc/48/24/77/399482477.db2.gz NPONXYFCODYEDV-QFIPXVFZSA-N 1 1 322.361 2.761 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501833 399483246 /nfs/dbraw/zinc/48/32/46/399483246.db2.gz ITWJHLGVJYFVKW-BXUZGUMPSA-N 1 1 323.368 2.912 20 5 DFBDMO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000611516731 399486416 /nfs/dbraw/zinc/48/64/16/399486416.db2.gz IWSMJYUTGLMLHT-UHFFFAOYSA-N 1 1 317.345 2.639 20 5 DFBDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000611516731 399486418 /nfs/dbraw/zinc/48/64/18/399486418.db2.gz IWSMJYUTGLMLHT-UHFFFAOYSA-N 1 1 317.345 2.639 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000611554674 399491069 /nfs/dbraw/zinc/49/10/69/399491069.db2.gz RPCMZUHRYGXACK-QWGSZXSUSA-N 1 1 312.373 2.969 20 5 DFBDMO COc1nccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000294538224 224076786 /nfs/dbraw/zinc/07/67/86/224076786.db2.gz IFGCKKHABIOQDF-UHFFFAOYSA-N 1 1 316.361 2.804 20 5 DFBDMO COc1nccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000294538224 224076788 /nfs/dbraw/zinc/07/67/88/224076788.db2.gz IFGCKKHABIOQDF-UHFFFAOYSA-N 1 1 316.361 2.804 20 5 DFBDMO COc1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000611579644 399496488 /nfs/dbraw/zinc/49/64/88/399496488.db2.gz MPPNARWEPDQMEK-LLVKDONJSA-N 1 1 316.304 2.807 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000611579644 399496492 /nfs/dbraw/zinc/49/64/92/399496492.db2.gz MPPNARWEPDQMEK-LLVKDONJSA-N 1 1 316.304 2.807 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000611616352 399499066 /nfs/dbraw/zinc/49/90/66/399499066.db2.gz XXDQDQUTFJJNCI-UHFFFAOYSA-N 1 1 301.350 2.714 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000611616195 399499071 /nfs/dbraw/zinc/49/90/71/399499071.db2.gz TVKYAEVQOJFNNQ-LBPRGKRZSA-N 1 1 301.350 2.714 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000602670479 399512830 /nfs/dbraw/zinc/51/28/30/399512830.db2.gz FWJZNNJMSBGFEB-LBPRGKRZSA-N 1 1 318.295 2.960 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000119966697 195072238 /nfs/dbraw/zinc/07/22/38/195072238.db2.gz GYPZZKIRYJKJLR-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO CO[C@]1(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCOC1 ZINC000602684627 399519521 /nfs/dbraw/zinc/51/95/21/399519521.db2.gz ICTBEGWYYGLWRP-RDJZCZTQSA-N 1 1 320.389 2.580 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(CCF)CC2)c1 ZINC000602734085 399547071 /nfs/dbraw/zinc/54/70/71/399547071.db2.gz NQBVIATYNOUQKH-UHFFFAOYSA-N 1 1 324.352 2.953 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000120203698 195118697 /nfs/dbraw/zinc/11/86/97/195118697.db2.gz QVRQMHNSVMTWRD-UHFFFAOYSA-N 1 1 309.757 2.675 20 5 DFBDMO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000423070633 296375028 /nfs/dbraw/zinc/37/50/28/296375028.db2.gz GMVGESSRWYYWDW-LBPRGKRZSA-N 1 1 314.389 2.916 20 5 DFBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000602752350 399556237 /nfs/dbraw/zinc/55/62/37/399556237.db2.gz LRPPDMALUBAKJB-XQDHMALISA-N 1 1 301.390 2.634 20 5 DFBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000602752350 399556242 /nfs/dbraw/zinc/55/62/42/399556242.db2.gz LRPPDMALUBAKJB-XQDHMALISA-N 1 1 301.390 2.634 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCOc1ccccc1 ZINC000602766685 399561950 /nfs/dbraw/zinc/56/19/50/399561950.db2.gz PBRUIKVHQBFCHS-UHFFFAOYSA-N 1 1 318.377 2.501 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000317346696 285141466 /nfs/dbraw/zinc/14/14/66/285141466.db2.gz YNSPHCLIMABLQS-QWRGUYRKSA-N 1 1 301.350 2.510 20 5 DFBDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602775336 399567280 /nfs/dbraw/zinc/56/72/80/399567280.db2.gz HXDAVRLUZKYKST-SNVBAGLBSA-N 1 1 323.422 2.866 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000602778142 399568235 /nfs/dbraw/zinc/56/82/35/399568235.db2.gz FKUSLZPMDLQSIS-CZUORRHYSA-N 1 1 314.389 2.978 20 5 DFBDMO CC[C@H]1Cc2ccccc2C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602810058 399585098 /nfs/dbraw/zinc/58/50/98/399585098.db2.gz KMOLFKQOJWVGPV-INIZCTEOSA-N 1 1 314.389 2.937 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156072051 197084606 /nfs/dbraw/zinc/08/46/06/197084606.db2.gz NHUSREOEFKFDEM-CYBMUJFWSA-N 1 1 320.393 2.709 20 5 DFBDMO C[C@@H]1CSCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000617102355 399605487 /nfs/dbraw/zinc/60/54/87/399605487.db2.gz PURLKDCESHGPQS-NSHDSACASA-N 1 1 324.402 2.551 20 5 DFBDMO Cc1cc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000347919632 285246430 /nfs/dbraw/zinc/24/64/30/285246430.db2.gz SABOZHUSAOHCNY-AWEZNQCLSA-N 1 1 305.378 2.506 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000066137598 542457774 /nfs/dbraw/zinc/45/77/74/542457774.db2.gz CZRVAYDAAUBZBX-JTQLQIEISA-N 1 1 313.785 2.708 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CCF)CC1 ZINC000602948285 399636385 /nfs/dbraw/zinc/63/63/85/399636385.db2.gz CLHOGTIDLPPWMB-UHFFFAOYSA-N 1 1 323.368 2.913 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(F)CC1 ZINC000602993155 399652668 /nfs/dbraw/zinc/65/26/68/399652668.db2.gz RNXPALLYJVTRAV-NSHDSACASA-N 1 1 309.341 2.746 20 5 DFBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c21 ZINC000612444740 399654171 /nfs/dbraw/zinc/65/41/71/399654171.db2.gz MENPODKMHWZOJL-LLVKDONJSA-N 1 1 324.344 2.645 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC000602997464 399654553 /nfs/dbraw/zinc/65/45/53/399654553.db2.gz KQQFEABYXJXYJM-ZACQAIPSSA-N 1 1 320.389 2.599 20 5 DFBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccncc1 ZINC000121586416 195310925 /nfs/dbraw/zinc/31/09/25/195310925.db2.gz UALBEEUCJHWEPO-UHFFFAOYSA-N 1 1 301.346 2.543 20 5 DFBDMO COc1nccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000294927518 533239483 /nfs/dbraw/zinc/23/94/83/533239483.db2.gz AZSIKSSGYZFSQG-LLVKDONJSA-N 1 1 302.334 2.553 20 5 DFBDMO CC1(C)[C@@H](Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000603398773 399765590 /nfs/dbraw/zinc/76/55/90/399765590.db2.gz RANPSIZQMNDALW-GJZGRUSLSA-N 1 1 305.378 2.506 20 5 DFBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000603398775 399766070 /nfs/dbraw/zinc/76/60/70/399766070.db2.gz RANPSIZQMNDALW-LSDHHAIUSA-N 1 1 305.378 2.506 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000366643033 131248704 /nfs/dbraw/zinc/24/87/04/131248704.db2.gz PWZLQOLYZXLISY-UONOGXRCSA-N 1 1 319.386 2.922 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000366643033 131248706 /nfs/dbraw/zinc/24/87/06/131248706.db2.gz PWZLQOLYZXLISY-UONOGXRCSA-N 1 1 319.386 2.922 20 5 DFBDMO Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000164181675 132130220 /nfs/dbraw/zinc/13/02/20/132130220.db2.gz FQUUDZLHGUATBF-GXTWGEPZSA-N 1 1 320.393 2.753 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272492146 542968085 /nfs/dbraw/zinc/96/80/85/542968085.db2.gz DYDHDNCIACWFPT-UONOGXRCSA-N 1 1 300.362 2.806 20 5 DFBDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000604554359 399855503 /nfs/dbraw/zinc/85/55/03/399855503.db2.gz QOMKLLLNJHVUQU-ZDUSSCGKSA-N 1 1 302.334 2.666 20 5 DFBDMO Cn1cc([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000604557543 399855715 /nfs/dbraw/zinc/85/57/15/399855715.db2.gz PUXOJURWZURCCR-HNNXBMFYSA-N 1 1 314.389 2.750 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339675405 543145673 /nfs/dbraw/zinc/14/56/73/543145673.db2.gz FBIRXDYOWZGYRA-SECBINFHSA-N 1 1 303.284 2.754 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000339828038 543146914 /nfs/dbraw/zinc/14/69/14/543146914.db2.gz RPNPNWISXSTBQU-MRXNPFEDSA-N 1 1 308.378 2.721 20 5 DFBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000604558080 399856170 /nfs/dbraw/zinc/85/61/70/399856170.db2.gz XEQHYRUIGTVQSX-ZDUSSCGKSA-N 1 1 300.362 2.708 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000172180919 145294935 /nfs/dbraw/zinc/29/49/35/145294935.db2.gz XQOJCCLMCQILOZ-YWXMQNBFSA-N 1 1 310.781 2.841 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000172180919 145294937 /nfs/dbraw/zinc/29/49/37/145294937.db2.gz XQOJCCLMCQILOZ-YWXMQNBFSA-N 1 1 310.781 2.841 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc1 ZINC000173464143 145344430 /nfs/dbraw/zinc/34/44/30/145344430.db2.gz JNQLTYQTNUCRJC-CQSZACIVSA-N 1 1 316.336 2.815 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCS1 ZINC000174369184 145378307 /nfs/dbraw/zinc/37/83/07/145378307.db2.gz BMPLWHTWSUWAHV-CQSZACIVSA-N 1 1 324.402 2.789 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCS1 ZINC000174369184 145378310 /nfs/dbraw/zinc/37/83/10/145378310.db2.gz BMPLWHTWSUWAHV-CQSZACIVSA-N 1 1 324.402 2.789 20 5 DFBDMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000191357875 145887855 /nfs/dbraw/zinc/88/78/55/145887855.db2.gz DBTNITOILKYBSV-CYBMUJFWSA-N 1 1 320.393 2.817 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Br ZINC000226098055 146003902 /nfs/dbraw/zinc/00/39/02/146003902.db2.gz RQUBBPVJRNRZTI-SNVBAGLBSA-N 1 1 314.183 2.863 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000248920491 146178767 /nfs/dbraw/zinc/17/87/67/146178767.db2.gz VZTQYAFVFNLAOR-WFASDCNBSA-N 1 1 306.362 2.534 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354422596 147030842 /nfs/dbraw/zinc/03/08/42/147030842.db2.gz GSQWGISGUKZTCJ-TZMCWYRMSA-N 1 1 319.405 2.848 20 5 DFBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000354508423 147062702 /nfs/dbraw/zinc/06/27/02/147062702.db2.gz NLCQFKJSHGVBGV-JSGCOSHPSA-N 1 1 313.361 2.632 20 5 DFBDMO Cn1cc(C[N@@H+]2CC[C@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355360119 147283781 /nfs/dbraw/zinc/28/37/81/147283781.db2.gz AFVWDBWVTUDRCA-INIZCTEOSA-N 1 1 318.352 2.929 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355360119 147283783 /nfs/dbraw/zinc/28/37/83/147283783.db2.gz AFVWDBWVTUDRCA-INIZCTEOSA-N 1 1 318.352 2.929 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000438482313 297094939 /nfs/dbraw/zinc/09/49/39/297094939.db2.gz XWHSTGMOQMFKFW-ZDUSSCGKSA-N 1 1 305.378 2.820 20 5 DFBDMO CCCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000357548839 148032665 /nfs/dbraw/zinc/03/26/65/148032665.db2.gz BQZNRMXCQVLVQD-UHFFFAOYSA-N 1 1 317.389 2.748 20 5 DFBDMO CC(C)[N@H+](C)C[C@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000357562538 148038152 /nfs/dbraw/zinc/03/81/52/148038152.db2.gz FLKNAVGWRFMPRZ-VIFPVBQESA-N 1 1 309.395 2.740 20 5 DFBDMO Cc1cc(CNc2ccc([N+](=O)[O-])nc2)cc(N2CCCC2)[nH+]1 ZINC000357630737 148063819 /nfs/dbraw/zinc/06/38/19/148063819.db2.gz QKDLRCWWJBILQY-UHFFFAOYSA-N 1 1 313.361 2.906 20 5 DFBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000357666935 148077455 /nfs/dbraw/zinc/07/74/55/148077455.db2.gz RTUVGAAVDNKZAS-YPMHNXCESA-N 1 1 306.366 2.507 20 5 DFBDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)C(F)(F)F ZINC000350285147 286024412 /nfs/dbraw/zinc/02/44/12/286024412.db2.gz FFIOKZDSQWYENM-QWRGUYRKSA-N 1 1 310.247 2.525 20 5 DFBDMO C[C@@H]1CCCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000358400287 148347651 /nfs/dbraw/zinc/34/76/51/148347651.db2.gz OMKZXLOXAZXUSC-CYBMUJFWSA-N 1 1 305.378 2.822 20 5 DFBDMO CCOC(=O)c1c[nH+]ccc1NCc1cccc([N+](=O)[O-])c1C ZINC000358916293 148475026 /nfs/dbraw/zinc/47/50/26/148475026.db2.gz SIQBOJZEEGDTEZ-UHFFFAOYSA-N 1 1 315.329 2.509 20 5 DFBDMO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(F)c1 ZINC000350621305 286063286 /nfs/dbraw/zinc/06/32/86/286063286.db2.gz ZXFOOANQSJQVMM-UHFFFAOYSA-N 1 1 321.283 2.601 20 5 DFBDMO Cc1ccc(-c2noc([C@@H]3C[N@H+](C)C[C@H]3C)n2)cc1[N+](=O)[O-] ZINC000361023332 149011085 /nfs/dbraw/zinc/01/10/85/149011085.db2.gz UYZHCGMWKCOHFV-ZYHUDNBSSA-N 1 1 302.334 2.618 20 5 DFBDMO Cc1cc(Cc2noc([C@H]3C[N@H+](C)C[C@H]3C)n2)ccc1[N+](=O)[O-] ZINC000361263842 149070400 /nfs/dbraw/zinc/07/04/00/149070400.db2.gz WEWJQEXFKCEDMR-YPMHNXCESA-N 1 1 316.361 2.542 20 5 DFBDMO Cc1c(Cc2noc([C@H]3C[N@H+](C)C[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000361265811 149070425 /nfs/dbraw/zinc/07/04/25/149070425.db2.gz PMVIJLSFRJPMSQ-GWCFXTLKSA-N 1 1 316.361 2.542 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3CCCCC[C@H]32)c1 ZINC000361343154 149090679 /nfs/dbraw/zinc/09/06/79/149090679.db2.gz VBSLSAWTSZFYAP-FRFSOERESA-N 1 1 320.389 2.599 20 5 DFBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC000361467336 149123412 /nfs/dbraw/zinc/12/34/12/149123412.db2.gz HSCVQUANJKBAAG-CABCVRRESA-N 1 1 322.405 2.845 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](C4CC4)C3)o2)cc1 ZINC000371343597 150026762 /nfs/dbraw/zinc/02/67/62/150026762.db2.gz HJDJAFAKTPDAJB-ZDUSSCGKSA-N 1 1 314.345 2.877 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351598461 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DFBDMO Cc1noc([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000171631585 426201373 /nfs/dbraw/zinc/20/13/73/426201373.db2.gz YXHXEMVETKQIEQ-NSHDSACASA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000171631585 426201375 /nfs/dbraw/zinc/20/13/75/426201375.db2.gz YXHXEMVETKQIEQ-NSHDSACASA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000130320933 426154625 /nfs/dbraw/zinc/15/46/25/426154625.db2.gz SLMRAVGUBHJDCU-UHFFFAOYSA-N 1 1 316.361 2.618 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000078583899 426175809 /nfs/dbraw/zinc/17/58/09/426175809.db2.gz ZFXPEAYEOCCQHN-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000171226912 426177294 /nfs/dbraw/zinc/17/72/94/426177294.db2.gz CUZBECJGTMWUGX-KRWDZBQOSA-N 1 1 300.358 2.934 20 5 DFBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000133750507 426184094 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CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570438 426224999 /nfs/dbraw/zinc/22/49/99/426224999.db2.gz KIDMYYRWWRNCIH-AWEZNQCLSA-N 1 1 321.421 2.767 20 5 DFBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172855591 426231672 /nfs/dbraw/zinc/23/16/72/426231672.db2.gz KYWVXPOMOLTIQR-QWHCGFSZSA-N 1 1 317.389 2.604 20 5 DFBDMO Cc1c(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118792987 426245505 /nfs/dbraw/zinc/24/55/05/426245505.db2.gz DWXSWUGXLUDDTF-ZDUSSCGKSA-N 1 1 320.393 2.709 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000174972958 426270962 /nfs/dbraw/zinc/27/09/62/426270962.db2.gz XFDSEVWFYSEBRR-VXGBXAGGSA-N 1 1 323.418 2.664 20 5 DFBDMO CC[N@@H+](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000135187921 426209095 /nfs/dbraw/zinc/20/90/95/426209095.db2.gz KZYQOMZLVFXOOT-UHFFFAOYSA-N 1 1 317.389 2.570 20 5 DFBDMO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000135421633 426216544 /nfs/dbraw/zinc/21/65/44/426216544.db2.gz GDSBVCYTWJVDFQ-CYBMUJFWSA-N 1 1 323.418 2.669 20 5 DFBDMO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000135421633 426216547 /nfs/dbraw/zinc/21/65/47/426216547.db2.gz GDSBVCYTWJVDFQ-CYBMUJFWSA-N 1 1 323.418 2.669 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCCCO)C1CC1 ZINC000175259101 426292097 /nfs/dbraw/zinc/29/20/97/426292097.db2.gz MMJDBQYBYZYIIK-UHFFFAOYSA-N 1 1 308.378 2.730 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000175357919 426299206 /nfs/dbraw/zinc/29/92/06/426299206.db2.gz VNNBXHMYBUECCW-AWEZNQCLSA-N 1 1 307.394 2.520 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000175612896 426318497 /nfs/dbraw/zinc/31/84/97/426318497.db2.gz TYJLTKLTQIUSEN-UHFFFAOYSA-N 1 1 308.382 2.757 20 5 DFBDMO CCC(CC)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000090551667 426328140 /nfs/dbraw/zinc/32/81/40/426328140.db2.gz SHXLHKVDSCZTKH-UHFFFAOYSA-N 1 1 309.410 2.903 20 5 DFBDMO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153752851 426404276 /nfs/dbraw/zinc/40/42/76/426404276.db2.gz BBSNNQUEEIYLHQ-CQSZACIVSA-N 1 1 309.410 2.522 20 5 DFBDMO COCCN(C)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153752851 426404284 /nfs/dbraw/zinc/40/42/84/426404284.db2.gz BBSNNQUEEIYLHQ-CQSZACIVSA-N 1 1 309.410 2.522 20 5 DFBDMO CC[C@@H](NC(=O)NCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176082669 426350549 /nfs/dbraw/zinc/35/05/49/426350549.db2.gz BPEFKVFMSVPYOX-OAHLLOKOSA-N 1 1 322.409 2.685 20 5 DFBDMO COc1c(C)cc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1C ZINC000176225217 426361648 /nfs/dbraw/zinc/36/16/48/426361648.db2.gz HIOKSWWBHZPCHL-UHFFFAOYSA-N 1 1 318.377 2.549 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccn1 ZINC000153038913 426367404 /nfs/dbraw/zinc/36/74/04/426367404.db2.gz GFPYYCNHEAEQFH-UHFFFAOYSA-N 1 1 301.346 2.543 20 5 DFBDMO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000122998225 426407538 /nfs/dbraw/zinc/40/75/38/426407538.db2.gz KMZJETLNBHSABF-STQMWFEESA-N 1 1 305.378 2.536 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000123073347 426413201 /nfs/dbraw/zinc/41/32/01/426413201.db2.gz XRZDOCBQDISQNR-DGCLKSJQSA-N 1 1 305.378 2.820 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000123073347 426413205 /nfs/dbraw/zinc/41/32/05/426413205.db2.gz XRZDOCBQDISQNR-DGCLKSJQSA-N 1 1 305.378 2.820 20 5 DFBDMO C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000123415070 426431738 /nfs/dbraw/zinc/43/17/38/426431738.db2.gz QWOVLWLLEPVBGF-LWSBZWIYSA-N 1 1 317.389 2.549 20 5 DFBDMO C[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000154409235 426439328 /nfs/dbraw/zinc/43/93/28/426439328.db2.gz ZTFIZVKQPAGUPK-UHFFFAOYSA-N 1 1 301.346 2.602 20 5 DFBDMO CN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000154409235 426439332 /nfs/dbraw/zinc/43/93/32/426439332.db2.gz ZTFIZVKQPAGUPK-UHFFFAOYSA-N 1 1 301.346 2.602 20 5 DFBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177111022 426445376 /nfs/dbraw/zinc/44/53/76/426445376.db2.gz DQZJJSRZTJATDI-KOLCDFICSA-N 1 1 323.780 2.603 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000340888577 269026984 /nfs/dbraw/zinc/02/69/84/269026984.db2.gz YMNLHIGIJZIZCZ-ZDUSSCGKSA-N 1 1 307.398 2.548 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341065374 269037784 /nfs/dbraw/zinc/03/77/84/269037784.db2.gz URQINGBWYXMLRS-OKILXGFUSA-N 1 1 319.405 2.896 20 5 DFBDMO COCC[NH+]1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154850369 426457816 /nfs/dbraw/zinc/45/78/16/426457816.db2.gz NQCQFKKWXVNRRB-AWEZNQCLSA-N 1 1 321.421 2.665 20 5 DFBDMO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000123918511 426461494 /nfs/dbraw/zinc/46/14/94/426461494.db2.gz OPSUSDNWLXKSEM-OAHLLOKOSA-N 1 1 319.405 2.819 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000123918511 426461496 /nfs/dbraw/zinc/46/14/96/426461496.db2.gz OPSUSDNWLXKSEM-OAHLLOKOSA-N 1 1 319.405 2.819 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177835588 426528749 /nfs/dbraw/zinc/52/87/49/426528749.db2.gz MXECAUZICARAAN-ZFWWWQNUSA-N 1 1 319.405 2.955 20 5 DFBDMO CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000195718967 426542139 /nfs/dbraw/zinc/54/21/39/426542139.db2.gz MEMGCAKPSGRHBF-JSGCOSHPSA-N 1 1 305.378 2.504 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280299482 426543884 /nfs/dbraw/zinc/54/38/84/426543884.db2.gz FSFITURNNMIZOH-DVOMOZLQSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280299482 426543888 /nfs/dbraw/zinc/54/38/88/426543888.db2.gz FSFITURNNMIZOH-DVOMOZLQSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000194902456 426494713 /nfs/dbraw/zinc/49/47/13/426494713.db2.gz WKGGBDQIKMCCBM-JTQLQIEISA-N 1 1 311.363 2.830 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000194902456 426494715 /nfs/dbraw/zinc/49/47/15/426494715.db2.gz WKGGBDQIKMCCBM-JTQLQIEISA-N 1 1 311.363 2.830 20 5 DFBDMO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000273050364 426581949 /nfs/dbraw/zinc/58/19/49/426581949.db2.gz KFYDHHLYFCIERD-JTQLQIEISA-N 1 1 312.675 2.651 20 5 DFBDMO O=C(C[N@@H+]1CCC[C@@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289156231 426594976 /nfs/dbraw/zinc/59/49/76/426594976.db2.gz DHHSOHIOOHBRMZ-CYBMUJFWSA-N 1 1 303.362 2.655 20 5 DFBDMO O=C(C[N@H+]1CCC[C@@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289156231 426594979 /nfs/dbraw/zinc/59/49/79/426594979.db2.gz DHHSOHIOOHBRMZ-CYBMUJFWSA-N 1 1 303.362 2.655 20 5 DFBDMO COC1CCC([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000265195587 426595492 /nfs/dbraw/zinc/59/54/92/426595492.db2.gz IHZZZISEYNCTLN-UHFFFAOYSA-N 1 1 308.378 2.863 20 5 DFBDMO COc1ccc(C[N@H+](C)C2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000265215102 426599518 /nfs/dbraw/zinc/59/95/18/426599518.db2.gz NHBAMFRQIXBZCV-UHFFFAOYSA-N 1 1 308.378 2.993 20 5 DFBDMO C[C@@H]([NH2+]Cc1cnc([C@H](C)O)s1)c1cccc([N+](=O)[O-])c1 ZINC000289221270 426609532 /nfs/dbraw/zinc/60/95/32/426609532.db2.gz JHSNCSGIXKBOMV-ZJUUUORDSA-N 1 1 307.375 2.955 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000178346171 426610738 /nfs/dbraw/zinc/61/07/38/426610738.db2.gz SREAUNDUOMGXIN-HNNXBMFYSA-N 1 1 320.389 2.943 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000178346171 426610741 /nfs/dbraw/zinc/61/07/41/426610741.db2.gz SREAUNDUOMGXIN-HNNXBMFYSA-N 1 1 320.389 2.943 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000280601462 426611721 /nfs/dbraw/zinc/61/17/21/426611721.db2.gz YFIGVWJHLSIFFA-VBQJREDUSA-N 1 1 320.389 2.672 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000280601462 426611727 /nfs/dbraw/zinc/61/17/27/426611727.db2.gz YFIGVWJHLSIFFA-VBQJREDUSA-N 1 1 320.389 2.672 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000280621211 426616731 /nfs/dbraw/zinc/61/67/31/426616731.db2.gz ZXQQFASNIQKWJH-AWEZNQCLSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+]2CCC=C(C)C2)cccc1[N+](=O)[O-] ZINC000280889456 426678312 /nfs/dbraw/zinc/67/83/12/426678312.db2.gz PXDHNXQCGPODTD-UHFFFAOYSA-N 1 1 303.362 2.884 20 5 DFBDMO Cc1occc1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178726457 426681869 /nfs/dbraw/zinc/68/18/69/426681869.db2.gz UWSMEPZYEGZPLP-UHFFFAOYSA-N 1 1 317.345 2.957 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000273248211 426626201 /nfs/dbraw/zinc/62/62/01/426626201.db2.gz GPZFZSSJOIYBKV-DZGCQCFKSA-N 1 1 322.405 2.832 20 5 DFBDMO C[C@@H]1CCCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000187936914 426707469 /nfs/dbraw/zinc/70/74/69/426707469.db2.gz HRCVJEFCNOWBOY-CYBMUJFWSA-N 1 1 317.389 2.606 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000178864378 426709583 /nfs/dbraw/zinc/70/95/83/426709583.db2.gz DEVKBUCAVXNTDZ-MRXNPFEDSA-N 1 1 320.389 2.663 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000178864378 426709588 /nfs/dbraw/zinc/70/95/88/426709588.db2.gz DEVKBUCAVXNTDZ-MRXNPFEDSA-N 1 1 320.389 2.663 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000280952545 426694122 /nfs/dbraw/zinc/69/41/22/426694122.db2.gz HZFZOMFJEOZBJN-UHFFFAOYSA-N 1 1 318.377 2.595 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000274457533 426772057 /nfs/dbraw/zinc/77/20/57/426772057.db2.gz JLVDVJHHJVVTNH-CYBMUJFWSA-N 1 1 305.378 2.506 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000266534428 426734657 /nfs/dbraw/zinc/73/46/57/426734657.db2.gz NNXIFYYIRKYPJR-CHWSQXEVSA-N 1 1 306.362 2.741 20 5 DFBDMO Cn1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cn1 ZINC000266982155 426807598 /nfs/dbraw/zinc/80/75/98/426807598.db2.gz ATXYGZKMMQQMHR-UHFFFAOYSA-N 1 1 318.352 2.847 20 5 DFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)s1 ZINC000267059798 426818525 /nfs/dbraw/zinc/81/85/25/426818525.db2.gz IHLLIIQJNTYYSR-UHFFFAOYSA-N 1 1 300.771 2.638 20 5 DFBDMO CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246455579 426834237 /nfs/dbraw/zinc/83/42/37/426834237.db2.gz YKIRANMWZPSIGZ-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H]1C[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C[N@H+]1C1CC1 ZINC000290785752 426839078 /nfs/dbraw/zinc/83/90/78/426839078.db2.gz NQXIZUQOSALYNL-GHMZBOCLSA-N 1 1 302.378 2.600 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CF)CC1 ZINC000295167804 426847120 /nfs/dbraw/zinc/84/71/20/426847120.db2.gz PPOXYONZQGAPJU-NSHDSACASA-N 1 1 309.341 2.603 20 5 DFBDMO COc1ccc(OCC[N@@H+](C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000295177534 426850864 /nfs/dbraw/zinc/85/08/64/426850864.db2.gz PFSHTVXSHPFTDI-UHFFFAOYSA-N 1 1 317.345 2.509 20 5 DFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246664251 426853844 /nfs/dbraw/zinc/85/38/44/426853844.db2.gz WPLVWIAIYQLEMG-RYUDHWBXSA-N 1 1 323.368 2.584 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000290565496 426795144 /nfs/dbraw/zinc/79/51/44/426795144.db2.gz ARQKSSAJQPGAOU-ZDUSSCGKSA-N 1 1 322.409 2.514 20 5 DFBDMO Cc1cnc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000309850624 426918674 /nfs/dbraw/zinc/91/86/74/426918674.db2.gz ATUDYCNEQOEJTJ-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246906723 426876390 /nfs/dbraw/zinc/87/63/90/426876390.db2.gz HZQGKEYNBWNBET-CABCVRRESA-N 1 1 317.389 2.602 20 5 DFBDMO C[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000267996289 426888511 /nfs/dbraw/zinc/88/85/11/426888511.db2.gz RBSUGFCIVIHGJD-UWVGGRQHSA-N 1 1 323.780 2.603 20 5 DFBDMO CCc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247030374 426894407 /nfs/dbraw/zinc/89/44/07/426894407.db2.gz HSEGGJICVOSJAC-DOMZBBRYSA-N 1 1 319.405 2.616 20 5 DFBDMO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189868124 426969734 /nfs/dbraw/zinc/96/97/34/426969734.db2.gz ORZDQBTVIRBSHT-IYNGYCSASA-N 1 1 318.295 2.853 20 5 DFBDMO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189868124 426969739 /nfs/dbraw/zinc/96/97/39/426969739.db2.gz ORZDQBTVIRBSHT-IYNGYCSASA-N 1 1 318.295 2.853 20 5 DFBDMO C[C@H]1SCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000283271976 426987337 /nfs/dbraw/zinc/98/73/37/426987337.db2.gz LILMUYGOZNISNF-VXGBXAGGSA-N 1 1 323.418 2.749 20 5 DFBDMO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000189974405 426990183 /nfs/dbraw/zinc/99/01/83/426990183.db2.gz YKWNCINOVRBTPI-UHFFFAOYSA-N 1 1 319.390 2.523 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000295537627 426998462 /nfs/dbraw/zinc/99/84/62/426998462.db2.gz JJIORUJHRIRIFJ-CQSZACIVSA-N 1 1 321.377 2.566 20 5 DFBDMO Cc1c(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000295537627 426998468 /nfs/dbraw/zinc/99/84/68/426998468.db2.gz JJIORUJHRIRIFJ-CQSZACIVSA-N 1 1 321.377 2.566 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000248474815 427005616 /nfs/dbraw/zinc/00/56/16/427005616.db2.gz XKFHCYMATWMHBJ-RRFJBIMHSA-N 1 1 320.389 2.599 20 5 DFBDMO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000268443769 427018335 /nfs/dbraw/zinc/01/83/35/427018335.db2.gz DHNWNHNTGRXYQI-KGLIPLIRSA-N 1 1 304.394 2.750 20 5 DFBDMO Cc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 ZINC000295954339 427026415 /nfs/dbraw/zinc/02/64/15/427026415.db2.gz HSMNDBDUUJJQQW-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000283707673 427062115 /nfs/dbraw/zinc/06/21/15/427062115.db2.gz DJCQVKKBQGSYDZ-UHFFFAOYSA-N 1 1 314.345 2.905 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268464979 427026824 /nfs/dbraw/zinc/02/68/24/427026824.db2.gz LKBCNOMWZOOQDD-DGCLKSJQSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000268464979 427026827 /nfs/dbraw/zinc/02/68/27/427026827.db2.gz LKBCNOMWZOOQDD-DGCLKSJQSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000268464979 427026833 /nfs/dbraw/zinc/02/68/33/427026833.db2.gz LKBCNOMWZOOQDD-DGCLKSJQSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268464979 427026835 /nfs/dbraw/zinc/02/68/35/427026835.db2.gz LKBCNOMWZOOQDD-DGCLKSJQSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268464979 427026837 /nfs/dbraw/zinc/02/68/37/427026837.db2.gz LKBCNOMWZOOQDD-DGCLKSJQSA-N 1 1 315.377 2.962 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000291941492 427033675 /nfs/dbraw/zinc/03/36/75/427033675.db2.gz PVAJSYKCDZPNKB-SNVBAGLBSA-N 1 1 313.785 2.707 20 5 DFBDMO CN(c1ncccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268520533 427042396 /nfs/dbraw/zinc/04/23/96/427042396.db2.gz ZZMNPVZQQURDTJ-OAHLLOKOSA-N 1 1 312.373 2.701 20 5 DFBDMO CC(=O)c1cc(NCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000283738311 427066554 /nfs/dbraw/zinc/06/65/54/427066554.db2.gz IUQMVRMNLVJPRD-UHFFFAOYSA-N 1 1 302.334 2.805 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292062424 427074919 /nfs/dbraw/zinc/07/49/19/427074919.db2.gz CRGZJLGYJLUSSJ-HNNXBMFYSA-N 1 1 309.797 2.776 20 5 DFBDMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130610 427087303 /nfs/dbraw/zinc/08/73/03/427087303.db2.gz JCIFTZJCZKVDHJ-RNCFNFMXSA-N 1 1 318.295 2.959 20 5 DFBDMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130610 427087309 /nfs/dbraw/zinc/08/73/09/427087309.db2.gz JCIFTZJCZKVDHJ-RNCFNFMXSA-N 1 1 318.295 2.959 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000338002582 427087645 /nfs/dbraw/zinc/08/76/45/427087645.db2.gz RSKDSCUAAFIBOW-KGLIPLIRSA-N 1 1 319.405 2.896 20 5 DFBDMO CS[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000296152988 427091520 /nfs/dbraw/zinc/09/15/20/427091520.db2.gz GWUDAZNNTGNOKI-ZDUSSCGKSA-N 1 1 323.418 2.669 20 5 DFBDMO COc1cccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000249277181 427101310 /nfs/dbraw/zinc/10/13/10/427101310.db2.gz DLYGNYSGOVGUDP-QWHCGFSZSA-N 1 1 305.378 2.524 20 5 DFBDMO CS[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296212260 427112475 /nfs/dbraw/zinc/11/24/75/427112475.db2.gz JRISQVWFOJAWNU-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO C[C@H]1C[C@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000284133853 427139966 /nfs/dbraw/zinc/13/99/66/427139966.db2.gz PVEDWHHXYQLNNC-WDEREUQCSA-N 1 1 313.348 2.788 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000175042099 271145125 /nfs/dbraw/zinc/14/51/25/271145125.db2.gz OKLQPZXGGKRBDN-GDBMZVCRSA-N 1 1 319.405 2.662 20 5 DFBDMO O=c1cc(C[N@@H+]2CC[C@@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000269400692 427187420 /nfs/dbraw/zinc/18/74/20/427187420.db2.gz CMVQVGOGQVKFNY-CYBMUJFWSA-N 1 1 309.365 2.760 20 5 DFBDMO CC(=O)c1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292773232 427198503 /nfs/dbraw/zinc/19/85/03/427198503.db2.gz LGRWJGCNGSACKV-KRWDZBQOSA-N 1 1 317.389 2.720 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000285395780 427219665 /nfs/dbraw/zinc/21/96/65/427219665.db2.gz CHENHFPGXSLZPS-ZDUSSCGKSA-N 1 1 318.295 2.874 20 5 DFBDMO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285598274 427284313 /nfs/dbraw/zinc/28/43/13/427284313.db2.gz LFSBZPMJGTVOAQ-BDAKNGLRSA-N 1 1 316.304 2.550 20 5 DFBDMO COc1ccc(CNC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277494708 427222311 /nfs/dbraw/zinc/22/23/11/427222311.db2.gz OFGNOKSGZYDJRY-OAHLLOKOSA-N 1 1 319.405 2.710 20 5 DFBDMO COc1ccc(CNC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277494708 427222318 /nfs/dbraw/zinc/22/23/18/427222318.db2.gz OFGNOKSGZYDJRY-OAHLLOKOSA-N 1 1 319.405 2.710 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000330399461 427230136 /nfs/dbraw/zinc/23/01/36/427230136.db2.gz RMMRWDQNRVGPMY-TZMCWYRMSA-N 1 1 319.405 2.753 20 5 DFBDMO CC[N@H+](Cc1ccccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269653222 427240227 /nfs/dbraw/zinc/24/02/27/427240227.db2.gz NITTWXNWBPYXHP-MRXNPFEDSA-N 1 1 301.346 2.545 20 5 DFBDMO COc1ccc(NC(=O)C[NH+]2CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000330461374 427244786 /nfs/dbraw/zinc/24/47/86/427244786.db2.gz SANPZQFEGOUTKW-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C)(C)CC1 ZINC000330469831 427245553 /nfs/dbraw/zinc/24/55/53/427245553.db2.gz ZRBQASLTUXBVNB-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269686244 427250316 /nfs/dbraw/zinc/25/03/16/427250316.db2.gz ZXOKVEYLEJFDTL-CABCVRRESA-N 1 1 310.419 2.702 20 5 DFBDMO CCCCCNC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338345123 427268602 /nfs/dbraw/zinc/26/86/02/427268602.db2.gz DXWWTLRUWLFMLO-CQSZACIVSA-N 1 1 321.421 2.764 20 5 DFBDMO CO[C@H](C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285562437 427272738 /nfs/dbraw/zinc/27/27/38/427272738.db2.gz HDKAABPGFLONMJ-MNOVXSKESA-N 1 1 320.349 2.673 20 5 DFBDMO CO[C@H](C)C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000285562437 427272744 /nfs/dbraw/zinc/27/27/44/427272744.db2.gz HDKAABPGFLONMJ-MNOVXSKESA-N 1 1 320.349 2.673 20 5 DFBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000330670188 427287513 /nfs/dbraw/zinc/28/75/13/427287513.db2.gz LMUNXUFSJDIQHO-LBPRGKRZSA-N 1 1 319.405 2.668 20 5 DFBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000330670188 427287519 /nfs/dbraw/zinc/28/75/19/427287519.db2.gz 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Cc1c[nH+]cn1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000376941994 428029005 /nfs/dbraw/zinc/02/90/05/428029005.db2.gz WRBBLTXNLAIKTF-UHFFFAOYSA-N 1 1 320.374 2.639 20 5 DFBDMO Cc1ccc(N(C)C[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000376973125 428034378 /nfs/dbraw/zinc/03/43/78/428034378.db2.gz UFHDMHHJPVBYCY-CYBMUJFWSA-N 1 1 300.362 2.799 20 5 DFBDMO C[NH+]1CCC2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369720338 428044213 /nfs/dbraw/zinc/04/42/13/428044213.db2.gz HFOZMQSIOHQDOL-UHFFFAOYSA-N 1 1 303.406 2.903 20 5 DFBDMO CC(C)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000413260255 428004773 /nfs/dbraw/zinc/00/47/73/428004773.db2.gz JIANMUMBPORXCU-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO C[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000413533364 428072991 /nfs/dbraw/zinc/07/29/91/428072991.db2.gz PXHONIZXUWGRDG-AWEZNQCLSA-N 1 1 312.373 2.701 20 5 DFBDMO Cc1c(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000377212267 428086215 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DFBDMO CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412787 428124480 /nfs/dbraw/zinc/12/44/80/428124480.db2.gz OUWGMLAOWQZGQO-GXTWGEPZSA-N 1 1 300.362 2.916 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352369210 428134619 /nfs/dbraw/zinc/13/46/19/428134619.db2.gz XNLUNBFRINCJOG-GFCCVEGCSA-N 1 1 302.378 3.285 20 5 DFBDMO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535423 428138290 /nfs/dbraw/zinc/13/82/90/428138290.db2.gz QJHQSBMDEYPSRG-HUUCEWRRSA-N 1 1 319.405 2.520 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000346461518 428182441 /nfs/dbraw/zinc/18/24/41/428182441.db2.gz SILCGZLOCWFUNG-STQMWFEESA-N 1 1 320.393 2.850 20 5 DFBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000377628179 428176202 /nfs/dbraw/zinc/17/62/02/428176202.db2.gz NQIUUMWKAZVEKQ-INIZCTEOSA-N 1 1 319.361 2.576 20 5 DFBDMO CC[C@H]1C[C@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000356515505 428211803 /nfs/dbraw/zinc/21/18/03/428211803.db2.gz DTXXXNSDCOZOEU-CJNGLKHVSA-N 1 1 320.389 2.994 20 5 DFBDMO C[C@H](NCc1ncc(C[NH+](C)C)s1)c1ccccc1[N+](=O)[O-] ZINC000352741251 428228283 /nfs/dbraw/zinc/22/82/83/428228283.db2.gz DMOITNXOAYEVHE-NSHDSACASA-N 1 1 320.418 2.964 20 5 DFBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCn2ccnc2C1 ZINC000377677609 428193630 /nfs/dbraw/zinc/19/36/30/428193630.db2.gz KZRLLMRRCARDSN-GFCCVEGCSA-N 1 1 318.352 2.625 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370402461 428201344 /nfs/dbraw/zinc/20/13/44/428201344.db2.gz AOHCQCVXVNJHQU-SUMWQHHRSA-N 1 1 317.389 2.600 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346666730 428263910 /nfs/dbraw/zinc/26/39/10/428263910.db2.gz YWJHAUYHNVLOLT-GMZLATJGSA-N 1 1 317.389 2.550 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000370738590 428289595 /nfs/dbraw/zinc/28/95/95/428289595.db2.gz 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O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353010651 428349647 /nfs/dbraw/zinc/34/96/47/428349647.db2.gz WCEXKVRQRIORME-NSHDSACASA-N 1 1 316.304 2.535 20 5 DFBDMO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353165576 428412088 /nfs/dbraw/zinc/41/20/88/428412088.db2.gz AWMOHXKNPOENMU-UHFFFAOYSA-N 1 1 319.405 2.819 20 5 DFBDMO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353165576 428412093 /nfs/dbraw/zinc/41/20/93/428412093.db2.gz AWMOHXKNPOENMU-UHFFFAOYSA-N 1 1 319.405 2.819 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000353025497 428358642 /nfs/dbraw/zinc/35/86/42/428358642.db2.gz RTRAEHMEIHNCLK-NSHDSACASA-N 1 1 316.304 2.535 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353030509 428360286 /nfs/dbraw/zinc/36/02/86/428360286.db2.gz RZRJAQWMHNTOIY-SNVBAGLBSA-N 1 1 316.304 2.665 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353030509 428360292 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305.378 2.526 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000493152735 429700385 /nfs/dbraw/zinc/70/03/85/429700385.db2.gz KWSFIRFGTZQUSC-WHLNPGIBSA-N 1 1 317.389 2.549 20 5 DFBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000430758371 429714989 /nfs/dbraw/zinc/71/49/89/429714989.db2.gz AFFJLVGCRVWJRA-KRWDZBQOSA-N 1 1 319.405 2.676 20 5 DFBDMO CC1(C)CCC[N@H+]1CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493295373 429731179 /nfs/dbraw/zinc/73/11/79/429731179.db2.gz XVDYWKQKGSPIMQ-CMDGGOBGSA-N 1 1 317.389 2.599 20 5 DFBDMO CCOc1cc(N2CC[C@H](C[N@@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000486932450 429755541 /nfs/dbraw/zinc/75/55/41/429755541.db2.gz DFEPHEXDDXQFIZ-CYBMUJFWSA-N 1 1 307.394 2.772 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451420354 429826506 /nfs/dbraw/zinc/82/65/06/429826506.db2.gz AECACEMHGANKPY-HZMBPMFUSA-N 1 1 300.305 2.666 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000493846045 429839746 /nfs/dbraw/zinc/83/97/46/429839746.db2.gz CEMCLHWFEATLDJ-HWYHOQROSA-N 1 1 317.389 2.549 20 5 DFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCn3ccnc3)C2)cc1 ZINC000451551197 429852134 /nfs/dbraw/zinc/85/21/34/429852134.db2.gz TUGMPKLUEMBRLC-OAHLLOKOSA-N 1 1 300.362 2.671 20 5 DFBDMO CCc1nnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451569888 429856703 /nfs/dbraw/zinc/85/67/03/429856703.db2.gz OXPJXVPBIKNMGR-ZDUSSCGKSA-N 1 1 316.361 2.920 20 5 DFBDMO CCc1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451569888 429856706 /nfs/dbraw/zinc/85/67/06/429856706.db2.gz OXPJXVPBIKNMGR-ZDUSSCGKSA-N 1 1 316.361 2.920 20 5 DFBDMO C/C(=C/c1ccccc1)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000494273286 429864396 /nfs/dbraw/zinc/86/43/96/429864396.db2.gz GVURJQCIHSCMKX-UVTDQMKNSA-N 1 1 300.362 2.827 20 5 DFBDMO O=[N+]([O-])c1cccc2c(N3CC[N@H+]4CCCC[C@H]4C3)ccnc21 ZINC000432310942 429813132 /nfs/dbraw/zinc/81/31/32/429813132.db2.gz KAJHBGNVWNSDTB-ZDUSSCGKSA-N 1 1 312.373 2.818 20 5 DFBDMO CCC(=O)c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000368621481 429878695 /nfs/dbraw/zinc/87/86/95/429878695.db2.gz DBGPEMVZEDPAHZ-LLVKDONJSA-N 1 1 314.345 2.880 20 5 DFBDMO CCC(=O)c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000368621481 429878700 /nfs/dbraw/zinc/87/87/00/429878700.db2.gz DBGPEMVZEDPAHZ-LLVKDONJSA-N 1 1 314.345 2.880 20 5 DFBDMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368674022 429885713 /nfs/dbraw/zinc/88/57/13/429885713.db2.gz XXJNERJIIYTFMP-CHWSQXEVSA-N 1 1 320.349 2.566 20 5 DFBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)c1ncc([N+](=O)[O-])cc1Cl ZINC000369255305 429921491 /nfs/dbraw/zinc/92/14/91/429921491.db2.gz WBCDRUULUNOKSU-SNVBAGLBSA-N 1 1 321.768 2.539 20 5 DFBDMO CC(=O)c1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000557520627 429943827 /nfs/dbraw/zinc/94/38/27/429943827.db2.gz BLGOBBJIXQPYEL-LBPRGKRZSA-N 1 1 303.362 2.694 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000531341621 430137627 /nfs/dbraw/zinc/13/76/27/430137627.db2.gz KDEDVJAJOYXSQM-CQSZACIVSA-N 1 1 300.362 2.838 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000531341621 430137631 /nfs/dbraw/zinc/13/76/31/430137631.db2.gz KDEDVJAJOYXSQM-CQSZACIVSA-N 1 1 300.362 2.838 20 5 DFBDMO C[N@H+]1CCC[C@]2(CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000292881152 277087126 /nfs/dbraw/zinc/08/71/26/277087126.db2.gz UTHXZVXRHMTNON-HNNXBMFYSA-N 1 1 311.332 2.795 20 5 DFBDMO CN1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000375852286 277171238 /nfs/dbraw/zinc/17/12/38/277171238.db2.gz NKAKOLDVMUNWQT-IKGGRYGDSA-N 1 1 303.406 2.600 20 5 DFBDMO C[C@@H]1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C[N@H+]1C1CC1 ZINC000581485441 430214691 /nfs/dbraw/zinc/21/46/91/430214691.db2.gz VEHIYDMKQTWPPC-YPMHNXCESA-N 1 1 316.405 2.906 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000544438890 430282854 /nfs/dbraw/zinc/28/28/54/430282854.db2.gz 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COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000553409934 430615278 /nfs/dbraw/zinc/61/52/78/430615278.db2.gz MCWHJHLPNIITJP-NEPJUHHUSA-N 1 1 321.377 2.584 20 5 DFBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000553409937 430615641 /nfs/dbraw/zinc/61/56/41/430615641.db2.gz MCWHJHLPNIITJP-NWDGAFQWSA-N 1 1 321.377 2.584 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279678673 278310677 /nfs/dbraw/zinc/31/06/77/278310677.db2.gz FBLOISUNFSMDEN-VMUDFCTBSA-N 1 1 320.389 2.924 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279678673 278310678 /nfs/dbraw/zinc/31/06/78/278310678.db2.gz FBLOISUNFSMDEN-VMUDFCTBSA-N 1 1 320.389 2.924 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000332009526 278312903 /nfs/dbraw/zinc/31/29/03/278312903.db2.gz WNJLZJIYQBNVBL-DNNBLBMLSA-N 1 1 320.389 2.518 20 5 DFBDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000354833551 279012482 /nfs/dbraw/zinc/01/24/82/279012482.db2.gz ODVNUZGNVMPANW-NEPJUHHUSA-N 1 1 318.352 2.938 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133491448 279311145 /nfs/dbraw/zinc/31/11/45/279311145.db2.gz WPLVWIAIYQLEMG-NWDGAFQWSA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000408079818 280397939 /nfs/dbraw/zinc/39/79/39/280397939.db2.gz OKDDMNUEEDFVAY-QWHCGFSZSA-N 1 1 319.405 2.685 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000408079818 280397940 /nfs/dbraw/zinc/39/79/40/280397940.db2.gz OKDDMNUEEDFVAY-QWHCGFSZSA-N 1 1 319.405 2.685 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000173219706 281008383 /nfs/dbraw/zinc/00/83/83/281008383.db2.gz OTHZAFSPNKAEEN-KBPBESRZSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000194481922 281257882 /nfs/dbraw/zinc/25/78/82/281257882.db2.gz MZVPPXHVWCWVFP-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000332053169 288323563 /nfs/dbraw/zinc/32/35/63/288323563.db2.gz YIZQBRKJERGRFJ-RLCCDNCMSA-N 1 1 303.406 2.905 20 5 DFBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153696982 289056351 /nfs/dbraw/zinc/05/63/51/289056351.db2.gz QVRKODYGVFRXGD-ZIAGYGMSSA-N 1 1 321.421 2.986 20 5 DFBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000153696982 289056353 /nfs/dbraw/zinc/05/63/53/289056353.db2.gz QVRKODYGVFRXGD-ZIAGYGMSSA-N 1 1 321.421 2.986 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000363425463 289094698 /nfs/dbraw/zinc/09/46/98/289094698.db2.gz BOYQVXLMGDPLJQ-UHFFFAOYSA-N 1 1 314.389 2.783 20 5 DFBDMO O=C(Nc1ccccc1)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000495193423 299909161 /nfs/dbraw/zinc/90/91/61/299909161.db2.gz PPCWKNAGCFDZNW-UHFFFAOYSA-N 1 1 311.341 2.856 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000438485184 297094908 /nfs/dbraw/zinc/09/49/08/297094908.db2.gz UITZPJYREDBRSQ-GFCCVEGCSA-N 1 1 321.377 2.520 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441292165 297178758 /nfs/dbraw/zinc/17/87/58/297178758.db2.gz XZQFEFAXBHFLCJ-KGLIPLIRSA-N 1 1 320.389 2.852 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441292168 297179076 /nfs/dbraw/zinc/17/90/76/297179076.db2.gz XZQFEFAXBHFLCJ-UONOGXRCSA-N 1 1 320.389 2.852 20 5 DFBDMO CCCC[N@@H+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444603764 297241105 /nfs/dbraw/zinc/24/11/05/297241105.db2.gz WZNPNDOBOYMJFR-UHFFFAOYSA-N 1 1 306.366 2.720 20 5 DFBDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000444753723 297248892 /nfs/dbraw/zinc/24/88/92/297248892.db2.gz QICNCSXOAFEIHL-CQSZACIVSA-N 1 1 319.405 2.926 20 5 DFBDMO CCC[C@]1(CO)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000444767972 297249394 /nfs/dbraw/zinc/24/93/94/297249394.db2.gz SGUAAMFKIJZSSU-MRXNPFEDSA-N 1 1 308.378 2.601 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000447898445 297324753 /nfs/dbraw/zinc/32/47/53/297324753.db2.gz VRGMAQXEDRMTMA-CQSZACIVSA-N 1 1 320.393 2.837 20 5 DFBDMO CCn1cc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000451886278 297892583 /nfs/dbraw/zinc/89/25/83/297892583.db2.gz CZDSEDQDSSXBOB-SNVBAGLBSA-N 1 1 314.349 2.538 20 5 DFBDMO CC(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500069310 300205188 /nfs/dbraw/zinc/20/51/88/300205188.db2.gz GYQBRPKRCXXOSK-CYBMUJFWSA-N 1 1 305.378 2.901 20 5 DFBDMO C[C@H]1c2c(F)cccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000530863509 301068806 /nfs/dbraw/zinc/06/88/06/301068806.db2.gz LNZGORKZELHBGC-NSHDSACASA-N 1 1 304.325 2.550 20 5 DFBDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000530863509 301068807 /nfs/dbraw/zinc/06/88/07/301068807.db2.gz LNZGORKZELHBGC-NSHDSACASA-N 1 1 304.325 2.550 20 5 DFBDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000530863507 301069080 /nfs/dbraw/zinc/06/90/80/301069080.db2.gz LNZGORKZELHBGC-LLVKDONJSA-N 1 1 304.325 2.550 20 5 DFBDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000530863507 301069083 /nfs/dbraw/zinc/06/90/83/301069083.db2.gz LNZGORKZELHBGC-LLVKDONJSA-N 1 1 304.325 2.550 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H]1C ZINC000532572195 301160410 /nfs/dbraw/zinc/16/04/10/301160410.db2.gz NQBUTMBQXMBFFC-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000408171910 301203590 /nfs/dbraw/zinc/20/35/90/301203590.db2.gz PIQZJNUGQXFYMD-KGLIPLIRSA-N 1 1 304.394 2.527 20 5 DFBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000536537794 301277265 /nfs/dbraw/zinc/27/72/65/301277265.db2.gz JMQSFTKOZBVLEN-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CCCNC(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000563352014 302065105 /nfs/dbraw/zinc/06/51/05/302065105.db2.gz FRZBOULROQYAPF-UHFFFAOYSA-N 1 1 319.405 2.866 20 5 DFBDMO Cc1ccnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292231222 302272583 /nfs/dbraw/zinc/27/25/83/302272583.db2.gz IVXXSVUNRJXMSO-GFCCVEGCSA-N 1 1 304.394 2.609 20 5 DFBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000566286405 302274607 /nfs/dbraw/zinc/27/46/07/302274607.db2.gz MXELDKKDJJHBSA-TUAOUCFPSA-N 1 1 320.393 2.836 20 5 DFBDMO C[N@@H+]1CCO[C@@H](CSCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000567849248 302392382 /nfs/dbraw/zinc/39/23/82/302392382.db2.gz QCXGEDCMTNMLRX-GFCCVEGCSA-N 1 1 316.810 2.812 20 5 DFBDMO C[N@H+]1CCO[C@@H](CSCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000567849248 302392385 /nfs/dbraw/zinc/39/23/85/302392385.db2.gz QCXGEDCMTNMLRX-GFCCVEGCSA-N 1 1 316.810 2.812 20 5 DFBDMO CC[C@@H](C)C[N@@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181947671 316079366 /nfs/dbraw/zinc/07/93/66/316079366.db2.gz TYIDGQHLVAOKDO-KGLIPLIRSA-N 1 1 310.394 2.703 20 5 DFBDMO C[C@@H]1CCCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187906583 316215351 /nfs/dbraw/zinc/21/53/51/316215351.db2.gz QUNLIUGXNTWOFG-CYBMUJFWSA-N 1 1 317.389 2.606 20 5 DFBDMO CC1CC[NH+](Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000350590824 316409594 /nfs/dbraw/zinc/40/95/94/316409594.db2.gz DIRPLBBTMOMAQJ-UHFFFAOYSA-N 1 1 316.361 2.801 20 5 DFBDMO CC(C)[C@H](N)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414792070 316659012 /nfs/dbraw/zinc/65/90/12/316659012.db2.gz IMDJAHRCJLDVHN-NUEKZKHPSA-N 1 1 305.422 2.879 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449557497 317043539 /nfs/dbraw/zinc/04/35/39/317043539.db2.gz UTXHLSDJEVXVLV-RBSFLKMASA-N 1 1 320.389 2.586 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000449558867 317044012 /nfs/dbraw/zinc/04/40/12/317044012.db2.gz XDDIFUDHRMMAIK-PMPSAXMXSA-N 1 1 304.390 2.886 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000450220204 317071210 /nfs/dbraw/zinc/07/12/10/317071210.db2.gz XWNMISQBPIZONA-ZDUSSCGKSA-N 1 1 321.377 2.586 20 5 DFBDMO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000459392531 317325389 /nfs/dbraw/zinc/32/53/89/317325389.db2.gz LKPRAHLMNXJVAR-SNVBAGLBSA-N 1 1 314.345 2.819 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488062926 317364090 /nfs/dbraw/zinc/36/40/90/317364090.db2.gz IPORJKYVYTVJHA-ZDUSSCGKSA-N 1 1 314.389 2.709 20 5 DFBDMO O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CCCn2cc[nH+]c21 ZINC000488090638 317366831 /nfs/dbraw/zinc/36/68/31/317366831.db2.gz OXHUZCDBMIJXEV-LBPRGKRZSA-N 1 1 323.356 2.751 20 5 DFBDMO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[N@H+]1C ZINC000575132466 318066215 /nfs/dbraw/zinc/06/62/15/318066215.db2.gz SDKBFBGIJBCTOL-NEPJUHHUSA-N 1 1 300.362 2.672 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576204913 318110392 /nfs/dbraw/zinc/11/03/92/318110392.db2.gz KXDAUZPZGGZXGU-OLZOCXBDSA-N 1 1 307.394 2.545 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000576939823 318160756 /nfs/dbraw/zinc/16/07/56/318160756.db2.gz MGUBGEGJJXWIAY-LXZKKBNFSA-N 1 1 320.389 2.599 20 5 DFBDMO C[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[N@@H+](C)C1CC1 ZINC000577391485 318190377 /nfs/dbraw/zinc/19/03/77/318190377.db2.gz RZHDWERDOUKGDG-NSHDSACASA-N 1 1 304.394 2.763 20 5 DFBDMO C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000577864727 318223248 /nfs/dbraw/zinc/22/32/48/318223248.db2.gz STFHZRSCYDRBDH-GFCCVEGCSA-N 1 1 305.378 2.504 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578946982 318295870 /nfs/dbraw/zinc/29/58/70/318295870.db2.gz CXVUTQKHJKYWJK-CZUORRHYSA-N 1 1 319.405 2.641 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000389600218 323336638 /nfs/dbraw/zinc/33/66/38/323336638.db2.gz STLHNERSHBHXRZ-VIFPVBQESA-N 1 1 318.299 2.762 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000580465409 323391068 /nfs/dbraw/zinc/39/10/68/323391068.db2.gz HPNJKMSTCCBXFR-YQQAZPJKSA-N 1 1 301.390 2.799 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000580465409 323391070 /nfs/dbraw/zinc/39/10/70/323391070.db2.gz HPNJKMSTCCBXFR-YQQAZPJKSA-N 1 1 301.390 2.799 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000584467360 337347275 /nfs/dbraw/zinc/34/72/75/337347275.db2.gz IVNDKAWHUREIQO-ZBFHGGJFSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000305863151 533821182 /nfs/dbraw/zinc/82/11/82/533821182.db2.gz YSGJGPODTXAOQK-PBHICJAKSA-N 1 1 320.389 2.730 20 5 DFBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302023329 533866320 /nfs/dbraw/zinc/86/63/20/533866320.db2.gz GQQZIEOGZMIVRS-MJBXVCDLSA-N 1 1 321.421 2.865 20 5 DFBDMO C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000302073074 534088826 /nfs/dbraw/zinc/08/88/26/534088826.db2.gz WONMNNXZCJDILH-STQMWFEESA-N 1 1 307.394 2.619 20 5 DFBDMO COC[C@@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000364151383 522437496 /nfs/dbraw/zinc/43/74/96/522437496.db2.gz RSOJWVHGJWUKNX-GFCCVEGCSA-N 1 1 319.361 2.985 20 5 DFBDMO CC(C)(O)[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000305684200 527358391 /nfs/dbraw/zinc/35/83/91/527358391.db2.gz AAYZLNYFBBURSD-HNNXBMFYSA-N 1 1 308.378 2.599 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC3(CCC3)C2)c1 ZINC000366341380 527391444 /nfs/dbraw/zinc/39/14/44/527391444.db2.gz TUINMIMYXZWLGY-OAHLLOKOSA-N 1 1 320.389 2.601 20 5 DFBDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365655525 527468573 /nfs/dbraw/zinc/46/85/73/527468573.db2.gz AYBLSDSKJBWKRW-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO CCOc1cc(N2CC[N@@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000301962270 528311429 /nfs/dbraw/zinc/31/14/29/528311429.db2.gz RHUWVMKCJCSACF-HNNXBMFYSA-N 1 1 307.394 2.770 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000330752224 528408838 /nfs/dbraw/zinc/40/88/38/528408838.db2.gz ILYJNDTWPBZBMR-TZMCWYRMSA-N 1 1 305.378 2.646 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000330752224 528408843 /nfs/dbraw/zinc/40/88/43/528408843.db2.gz ILYJNDTWPBZBMR-TZMCWYRMSA-N 1 1 305.378 2.646 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302061633 529274126 /nfs/dbraw/zinc/27/41/26/529274126.db2.gz SFUAJHOIONGLBX-CQSZACIVSA-N 1 1 307.394 2.764 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000360996372 535970824 /nfs/dbraw/zinc/97/08/24/535970824.db2.gz SJDOGANSVPWAJJ-AWEZNQCLSA-N 1 1 321.425 2.796 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255741322 536317284 /nfs/dbraw/zinc/31/72/84/536317284.db2.gz QZMBHYKJXCMGDX-ZBKLQPJUSA-N 1 1 304.346 2.636 20 5 DFBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000278452930 214163461 /nfs/dbraw/zinc/16/34/61/214163461.db2.gz GKVPJXAOLNSXIH-UHFFFAOYSA-N 1 1 323.780 2.548 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[C@H]21 ZINC000596167635 398345997 /nfs/dbraw/zinc/34/59/97/398345997.db2.gz FPAIDCYWVKILOK-ZYHUDNBSSA-N 1 1 310.785 2.564 20 5 DFBDMO CC[N@@H+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000596171423 398346719 /nfs/dbraw/zinc/34/67/19/398346719.db2.gz AAJZDYWWIWBOIK-JTQLQIEISA-N 1 1 313.785 2.787 20 5 DFBDMO CC[N@H+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000596171423 398346722 /nfs/dbraw/zinc/34/67/22/398346722.db2.gz AAJZDYWWIWBOIK-JTQLQIEISA-N 1 1 313.785 2.787 20 5 DFBDMO Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596206765 398356787 /nfs/dbraw/zinc/35/67/87/398356787.db2.gz AEEHYNPOAPJOGK-NSHDSACASA-N 1 1 313.423 2.878 20 5 DFBDMO Cc1cc(N2CC[N@H+](C)C3(CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000596249963 398367766 /nfs/dbraw/zinc/36/77/66/398367766.db2.gz DJNSIUOADOJKIT-UHFFFAOYSA-N 1 1 304.394 2.753 20 5 DFBDMO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000596241187 398365586 /nfs/dbraw/zinc/36/55/86/398365586.db2.gz OEIYVYDNZLBOKY-NSHDSACASA-N 1 1 324.812 2.954 20 5 DFBDMO CCOc1cc(N2CCC[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596268888 398372879 /nfs/dbraw/zinc/37/28/79/398372879.db2.gz MXWIYPIDAWCOEQ-ZDUSSCGKSA-N 1 1 307.394 2.914 20 5 DFBDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552690 185302563 /nfs/dbraw/zinc/30/25/63/185302563.db2.gz VUYZQXBROWZWNP-HIFRSBDPSA-N 1 1 307.394 2.657 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000245525586 398385712 /nfs/dbraw/zinc/38/57/12/398385712.db2.gz AALVADJZUXQKEY-RHSMWYFYSA-N 1 1 322.405 2.847 20 5 DFBDMO COC(=O)CC1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000459389626 299094039 /nfs/dbraw/zinc/09/40/39/299094039.db2.gz NZYCKDBZCATZRS-UHFFFAOYSA-N 1 1 312.753 2.824 20 5 DFBDMO CCOc1cc(NC[C@H]2CCC[N@H+]2CCOC)ccc1[N+](=O)[O-] ZINC000092649494 185331536 /nfs/dbraw/zinc/33/15/36/185331536.db2.gz PKOOGDNDOXAQHM-CQSZACIVSA-N 1 1 323.393 2.516 20 5 DFBDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592154398 398393512 /nfs/dbraw/zinc/39/35/12/398393512.db2.gz RQINLMVOEJFNQJ-HIFRSBDPSA-N 1 1 306.410 2.940 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286618940 219087004 /nfs/dbraw/zinc/08/70/04/219087004.db2.gz RXKJXBJGNIYJDM-WCQYABFASA-N 1 1 318.295 2.588 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286618940 219087005 /nfs/dbraw/zinc/08/70/05/219087005.db2.gz RXKJXBJGNIYJDM-WCQYABFASA-N 1 1 318.295 2.588 20 5 DFBDMO CCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181485782 199305249 /nfs/dbraw/zinc/30/52/49/199305249.db2.gz NCOXEQDCRBSWGD-UHFFFAOYSA-N 1 1 304.293 2.665 20 5 DFBDMO CCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181485782 199305251 /nfs/dbraw/zinc/30/52/51/199305251.db2.gz NCOXEQDCRBSWGD-UHFFFAOYSA-N 1 1 304.293 2.665 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883754 529802543 /nfs/dbraw/zinc/80/25/43/529802543.db2.gz YAFFLNHPHZMJMC-UKINESCASA-N 1 1 301.390 2.636 20 5 DFBDMO CCOc1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596427343 398409831 /nfs/dbraw/zinc/40/98/31/398409831.db2.gz FVRYEUBAMOOOPB-OLZOCXBDSA-N 1 1 323.393 2.515 20 5 DFBDMO CCOc1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596427343 398409839 /nfs/dbraw/zinc/40/98/39/398409839.db2.gz FVRYEUBAMOOOPB-OLZOCXBDSA-N 1 1 323.393 2.515 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596445231 398414311 /nfs/dbraw/zinc/41/43/11/398414311.db2.gz CWBHAEDEMJIPQC-LBPRGKRZSA-N 1 1 306.366 2.589 20 5 DFBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](CC)C1 ZINC000596458938 398417796 /nfs/dbraw/zinc/41/77/96/398417796.db2.gz YIAAVCDCYHVAOF-LBPRGKRZSA-N 1 1 324.356 2.682 20 5 DFBDMO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000067229534 398424164 /nfs/dbraw/zinc/42/41/64/398424164.db2.gz GHFIQEYOKJNYET-UHFFFAOYSA-N 1 1 319.405 2.675 20 5 DFBDMO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000067229534 398424168 /nfs/dbraw/zinc/42/41/68/398424168.db2.gz GHFIQEYOKJNYET-UHFFFAOYSA-N 1 1 319.405 2.675 20 5 DFBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000585754764 398445347 /nfs/dbraw/zinc/44/53/47/398445347.db2.gz BPTIJMJXOBTQLF-GFCCVEGCSA-N 1 1 323.368 2.615 20 5 DFBDMO C[C@]1(CCCO)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000272012419 398449395 /nfs/dbraw/zinc/44/93/95/398449395.db2.gz KQQXLKSMXRVTPC-QGZVFWFLSA-N 1 1 322.405 2.991 20 5 DFBDMO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000596598910 398457293 /nfs/dbraw/zinc/45/72/93/398457293.db2.gz NXRYUORPRGVEHX-UHFFFAOYSA-N 1 1 300.362 2.902 20 5 DFBDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000596598910 398457296 /nfs/dbraw/zinc/45/72/96/398457296.db2.gz NXRYUORPRGVEHX-UHFFFAOYSA-N 1 1 300.362 2.902 20 5 DFBDMO Cc1ccccc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027349065 398462327 /nfs/dbraw/zinc/46/23/27/398462327.db2.gz GREQLOBHTCBNMU-UHFFFAOYSA-N 1 1 313.357 2.634 20 5 DFBDMO Cc1ccccc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027349065 398462329 /nfs/dbraw/zinc/46/23/29/398462329.db2.gz GREQLOBHTCBNMU-UHFFFAOYSA-N 1 1 313.357 2.634 20 5 DFBDMO C[C@H]([N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000027136750 398459791 /nfs/dbraw/zinc/45/97/91/398459791.db2.gz LHFOUHINJRDNIB-GXTWGEPZSA-N 1 1 310.394 2.701 20 5 DFBDMO C[C@H]1C[NH+](C(C)(C)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000028936645 398477994 /nfs/dbraw/zinc/47/79/94/398477994.db2.gz UOJCEOGZQZMMMO-STQMWFEESA-N 1 1 307.394 2.895 20 5 DFBDMO Cc1cc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090145372 398482448 /nfs/dbraw/zinc/48/24/48/398482448.db2.gz YJZHRCSBTIZXKQ-CABCVRRESA-N 1 1 305.378 2.568 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000331006198 232325610 /nfs/dbraw/zinc/32/56/10/232325610.db2.gz PWQDRIRAHSQCAI-NSHDSACASA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CCc2ccccc2)cc1 ZINC000304028690 398500759 /nfs/dbraw/zinc/50/07/59/398500759.db2.gz FMISQNLUDRVMSW-UHFFFAOYSA-N 1 1 300.358 2.632 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC(C)(C)C1 ZINC000083418470 192370777 /nfs/dbraw/zinc/37/07/77/192370777.db2.gz APQLFKAXOXWJRW-NSHDSACASA-N 1 1 323.418 2.749 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCSC(C)(C)C1 ZINC000083418470 192370779 /nfs/dbraw/zinc/37/07/79/192370779.db2.gz APQLFKAXOXWJRW-NSHDSACASA-N 1 1 323.418 2.749 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689100 210095839 /nfs/dbraw/zinc/09/58/39/210095839.db2.gz WUGCVZDNJVIHEU-DVJJNNKXSA-N 1 1 301.390 2.634 20 5 DFBDMO CC(C)c1ccc(C(=O)NC[C@@H]2CC[C@H](C)[N@H+]2C)cc1[N+](=O)[O-] ZINC000588817976 398509677 /nfs/dbraw/zinc/50/96/77/398509677.db2.gz GOMWELTYNNMWGA-JSGCOSHPSA-N 1 1 319.405 2.931 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1Cc2ccccc2C1 ZINC000588815078 398508746 /nfs/dbraw/zinc/50/87/46/398508746.db2.gz IPAGFXLIYJKPNT-UHFFFAOYSA-N 1 1 315.377 2.547 20 5 DFBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000115521365 185690333 /nfs/dbraw/zinc/69/03/33/185690333.db2.gz BXAYLOORJHANHY-UKRRQHHQSA-N 1 1 322.409 2.539 20 5 DFBDMO O=C(CC[N@H+]1CCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000593000263 398517007 /nfs/dbraw/zinc/51/70/07/398517007.db2.gz KCSADLGRJAYULZ-UHFFFAOYSA-N 1 1 303.362 2.942 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1 ZINC000593013665 398520310 /nfs/dbraw/zinc/52/03/10/398520310.db2.gz LESBBKJBGFGUAE-MNOVXSKESA-N 1 1 324.402 2.707 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1 ZINC000593013665 398520312 /nfs/dbraw/zinc/52/03/12/398520312.db2.gz LESBBKJBGFGUAE-MNOVXSKESA-N 1 1 324.402 2.707 20 5 DFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2n(n1)CCCC2 ZINC000593030253 398525519 /nfs/dbraw/zinc/52/55/19/398525519.db2.gz KDFIGBIDFJCFGJ-UHFFFAOYSA-N 1 1 314.389 2.802 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2n(n1)CCCC2 ZINC000593030253 398525522 /nfs/dbraw/zinc/52/55/22/398525522.db2.gz KDFIGBIDFJCFGJ-UHFFFAOYSA-N 1 1 314.389 2.802 20 5 DFBDMO CCC[C@@]1(CO)CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000444767971 297249550 /nfs/dbraw/zinc/24/95/50/297249550.db2.gz SGUAAMFKIJZSSU-INIZCTEOSA-N 1 1 308.378 2.601 20 5 DFBDMO Cc1[nH+]cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C ZINC000596979772 398540275 /nfs/dbraw/zinc/54/02/75/398540275.db2.gz OBEBDEZQMSWRPS-UHFFFAOYSA-N 1 1 300.362 2.801 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(c2nc(C)no2)C1 ZINC000459604213 299146199 /nfs/dbraw/zinc/14/61/99/299146199.db2.gz IZPSIWFJZGJYGI-IZZDOVSWSA-N 1 1 314.345 2.789 20 5 DFBDMO C[C@@H](CCO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593108076 398547815 /nfs/dbraw/zinc/54/78/15/398547815.db2.gz LUJCXBFFIDBZAJ-VIFPVBQESA-N 1 1 306.284 2.816 20 5 DFBDMO COc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1C ZINC000319959446 398544878 /nfs/dbraw/zinc/54/48/78/398544878.db2.gz CRGUDCAGNMZMNU-CHWSQXEVSA-N 1 1 305.378 2.951 20 5 DFBDMO C[C@@H]1C[C@@H]1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272581776 210002165 /nfs/dbraw/zinc/00/21/65/210002165.db2.gz YGVCQKIBEWLRKR-KYOSRNDESA-N 1 1 300.362 2.663 20 5 DFBDMO Cc1ncsc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000092048163 398555774 /nfs/dbraw/zinc/55/57/74/398555774.db2.gz BDWDZKFOEZVWQZ-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000322626262 398558617 /nfs/dbraw/zinc/55/86/17/398558617.db2.gz UAEXEXKJCBQIFM-NWDGAFQWSA-N 1 1 313.361 2.577 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000589514786 398558867 /nfs/dbraw/zinc/55/88/67/398558867.db2.gz MKYGNPIKBJFKHE-BXUZGUMPSA-N 1 1 304.346 2.756 20 5 DFBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000130029402 185930197 /nfs/dbraw/zinc/93/01/97/185930197.db2.gz UQXBPCCBDBVLNP-UHFFFAOYSA-N 1 1 316.361 2.618 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000279938890 215255765 /nfs/dbraw/zinc/25/57/65/215255765.db2.gz HINBLRKSFSFZCD-UHFFFAOYSA-N 1 1 317.389 2.512 20 5 DFBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092650288 398589258 /nfs/dbraw/zinc/58/92/58/398589258.db2.gz UZWSYEFJNUIVCD-JTQLQIEISA-N 1 1 315.320 2.584 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)o2)c1 ZINC000597209860 398590818 /nfs/dbraw/zinc/59/08/18/398590818.db2.gz DTIPLTLUWPICKG-SUMWQHHRSA-N 1 1 314.341 2.812 20 5 DFBDMO O=c1cc(C[N@@H+]2CCC[C@H](O)C2)c2c(ccc3ccccc32)o1 ZINC000072535693 398620062 /nfs/dbraw/zinc/62/00/62/398620062.db2.gz BEBWYBIFRXZWDN-HNNXBMFYSA-N 1 1 309.365 2.903 20 5 DFBDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000072697650 398630368 /nfs/dbraw/zinc/63/03/68/398630368.db2.gz NAFVMPOYIMBZKB-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072697851 398631050 /nfs/dbraw/zinc/63/10/50/398631050.db2.gz PVDSBCKBKPSFQF-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000072771784 398637104 /nfs/dbraw/zinc/63/71/04/398637104.db2.gz YPDRZOBTIXDRQA-TXEJJXNPSA-N 1 1 323.418 2.749 20 5 DFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593462797 398635536 /nfs/dbraw/zinc/63/55/36/398635536.db2.gz ZMRQTLAXRBUGPB-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO C[C@H](O)CC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093481114 398639515 /nfs/dbraw/zinc/63/95/15/398639515.db2.gz CVPHAXPXJIWDOQ-NSHDSACASA-N 1 1 321.402 2.921 20 5 DFBDMO C[C@H](O)CC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093481114 398639514 /nfs/dbraw/zinc/63/95/14/398639514.db2.gz CVPHAXPXJIWDOQ-NSHDSACASA-N 1 1 321.402 2.921 20 5 DFBDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000459710992 299170217 /nfs/dbraw/zinc/17/02/17/299170217.db2.gz LQQCYSSRRLITFW-OAHLLOKOSA-N 1 1 308.378 2.994 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000187990542 186240387 /nfs/dbraw/zinc/24/03/87/186240387.db2.gz LWMNQMHJRDKDGW-GFCCVEGCSA-N 1 1 305.378 2.964 20 5 DFBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CCc2[nH+]ccn2C1 ZINC000590687820 398652170 /nfs/dbraw/zinc/65/21/70/398652170.db2.gz ZXBODONLWSYRQC-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO CN(C(=O)C[N@@H+](C)C1CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459733831 299175781 /nfs/dbraw/zinc/17/57/81/299175781.db2.gz BYGFINWOHSAHRD-UHFFFAOYSA-N 1 1 305.378 2.678 20 5 DFBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000050989624 425882511 /nfs/dbraw/zinc/88/25/11/425882511.db2.gz XTJKZYMFTWUDJN-UHFFFAOYSA-N 1 1 303.362 2.654 20 5 DFBDMO Cn1cc([C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)cn1 ZINC000172180964 198053393 /nfs/dbraw/zinc/05/33/93/198053393.db2.gz NPQFZQBWFYZWES-LLVKDONJSA-N 1 1 320.780 2.971 20 5 DFBDMO Cc1ccc(NCCCNC(=O)c2csc([N+](=O)[O-])c2)[nH+]c1 ZINC000172401169 198091762 /nfs/dbraw/zinc/09/17/62/198091762.db2.gz SLXGZXVQSHEIKG-UHFFFAOYSA-N 1 1 320.374 2.592 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000597604495 398667685 /nfs/dbraw/zinc/66/76/85/398667685.db2.gz JCYQNVYRFOVCME-CQSZACIVSA-N 1 1 319.405 2.768 20 5 DFBDMO COc1ccc(NC(=O)CC[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000072827613 191235511 /nfs/dbraw/zinc/23/55/11/191235511.db2.gz BQUSJWJAZHOKBD-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000072862918 191243902 /nfs/dbraw/zinc/24/39/02/191243902.db2.gz HBYDURNMDFSHNA-LBPRGKRZSA-N 1 1 323.418 2.751 20 5 DFBDMO C[N@H+](CCc1cccs1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072800879 191231258 /nfs/dbraw/zinc/23/12/58/191231258.db2.gz WCFBFCUMELQBGL-UHFFFAOYSA-N 1 1 319.386 2.769 20 5 DFBDMO C[N@@H+](CCc1cccs1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072800879 191231260 /nfs/dbraw/zinc/23/12/60/191231260.db2.gz WCFBFCUMELQBGL-UHFFFAOYSA-N 1 1 319.386 2.769 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000331911474 234266720 /nfs/dbraw/zinc/26/67/20/234266720.db2.gz KUXFSHIAUOCIFP-BASLNEPJSA-N 1 1 320.389 2.518 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000331913299 234269499 /nfs/dbraw/zinc/26/94/99/234269499.db2.gz KUXFSHIAUOCIFP-ZFVVBOAOSA-N 1 1 320.389 2.518 20 5 DFBDMO CCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000174241524 198309983 /nfs/dbraw/zinc/30/99/83/198309983.db2.gz SWRGTUKFFIHGBJ-CYBMUJFWSA-N 1 1 319.405 2.571 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597854646 398704808 /nfs/dbraw/zinc/70/48/08/398704808.db2.gz KNUGDUSDDGSKJC-CYBMUJFWSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000597859025 398705545 /nfs/dbraw/zinc/70/55/45/398705545.db2.gz QATKMQLYSZOZJR-GFCCVEGCSA-N 1 1 305.378 2.506 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000174830508 198390277 /nfs/dbraw/zinc/39/02/77/198390277.db2.gz REYCRWTWXJZVFV-HNNXBMFYSA-N 1 1 304.325 2.768 20 5 DFBDMO C[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597921460 398721379 /nfs/dbraw/zinc/72/13/79/398721379.db2.gz FQVHUMAVUKFHAQ-OCCSQVGLSA-N 1 1 319.405 2.687 20 5 DFBDMO COc1cc(N[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000277043055 213258411 /nfs/dbraw/zinc/25/84/11/213258411.db2.gz PMEIRYCNVJFTSO-LLVKDONJSA-N 1 1 309.366 2.507 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597924457 398721902 /nfs/dbraw/zinc/72/19/02/398721902.db2.gz RYXOGUBGSBEPSJ-CYBMUJFWSA-N 1 1 319.405 2.814 20 5 DFBDMO CCN(C)C(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000130209941 283042325 /nfs/dbraw/zinc/04/23/25/283042325.db2.gz HLBHPOOVKRBIMA-UHFFFAOYSA-N 1 1 307.394 2.674 20 5 DFBDMO CCOC(=O)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000594052322 398733084 /nfs/dbraw/zinc/73/30/84/398733084.db2.gz WMRIMZHAEUOXTK-UHFFFAOYSA-N 1 1 300.380 2.820 20 5 DFBDMO CCOC(=O)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000594052322 398733087 /nfs/dbraw/zinc/73/30/87/398733087.db2.gz WMRIMZHAEUOXTK-UHFFFAOYSA-N 1 1 300.380 2.820 20 5 DFBDMO Cc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000047143645 398737927 /nfs/dbraw/zinc/73/79/27/398737927.db2.gz DEXDZBPZEZOKKH-ZDUSSCGKSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000332594323 235164677 /nfs/dbraw/zinc/16/46/77/235164677.db2.gz OLZUBSMWWIOMPP-KBPBESRZSA-N 1 1 317.389 2.520 20 5 DFBDMO CCc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000598041224 398741781 /nfs/dbraw/zinc/74/17/81/398741781.db2.gz RYLYKDJAMZETQK-HNNXBMFYSA-N 1 1 319.405 2.714 20 5 DFBDMO Cc1cc(N2CC[NH2+][C@@H](C(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591435298 398760022 /nfs/dbraw/zinc/76/00/22/398760022.db2.gz OBJJZUMNPGSNDL-MRXNPFEDSA-N 1 1 314.389 2.886 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000080164229 192007998 /nfs/dbraw/zinc/00/79/98/192007998.db2.gz YEVJUDTZGPRSND-CYBMUJFWSA-N 1 1 320.393 2.709 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594202781 398764912 /nfs/dbraw/zinc/76/49/12/398764912.db2.gz RTGGECFYJDPIGS-KBPBESRZSA-N 1 1 317.389 2.650 20 5 DFBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNC1CC1 ZINC000591577239 398773056 /nfs/dbraw/zinc/77/30/56/398773056.db2.gz FVAGLHPFTDRDRQ-LBPRGKRZSA-N 1 1 309.435 2.807 20 5 DFBDMO CCOc1cc(C[N@@H+](C)C[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000276942872 213192422 /nfs/dbraw/zinc/19/24/22/213192422.db2.gz SOQKGFLQNMYGHW-CQSZACIVSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000276872591 213146437 /nfs/dbraw/zinc/14/64/37/213146437.db2.gz HSSGNAQEOQKJSV-OCCSQVGLSA-N 1 1 308.378 2.729 20 5 DFBDMO CCC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000466490940 299263597 /nfs/dbraw/zinc/26/35/97/299263597.db2.gz PSHGSJLODOCOIY-GDBMZVCRSA-N 1 1 322.405 2.847 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000594495344 398809370 /nfs/dbraw/zinc/80/93/70/398809370.db2.gz VLMPTJPZFPITCA-WWGRRREGSA-N 1 1 301.390 2.799 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594494926 398809514 /nfs/dbraw/zinc/80/95/14/398809514.db2.gz LLHFRDYQAFQZCA-XJKSGUPXSA-N 1 1 301.390 2.656 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594494926 398809516 /nfs/dbraw/zinc/80/95/16/398809516.db2.gz LLHFRDYQAFQZCA-XJKSGUPXSA-N 1 1 301.390 2.656 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179465173 199040441 /nfs/dbraw/zinc/04/04/41/199040441.db2.gz MQQUHVURSUTGAN-VFQAQYNWSA-N 1 1 313.361 2.537 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594522068 398815857 /nfs/dbraw/zinc/81/58/57/398815857.db2.gz XRWDPKJAGCHXBR-JKSUJKDBSA-N 1 1 307.369 2.840 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594522068 398815859 /nfs/dbraw/zinc/81/58/59/398815859.db2.gz XRWDPKJAGCHXBR-JKSUJKDBSA-N 1 1 307.369 2.840 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C(C1CC1)C1CC1 ZINC000050989353 398815164 /nfs/dbraw/zinc/81/51/64/398815164.db2.gz ZZDAIPBDELTEHQ-UHFFFAOYSA-N 1 1 317.389 2.962 20 5 DFBDMO Nc1c(F)c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594597953 398827636 /nfs/dbraw/zinc/82/76/36/398827636.db2.gz FKGLEXUIXFLBEA-PWSUYJOCSA-N 1 1 308.357 2.745 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCC[N@H+]4CCCC[C@H]34)nc2c1 ZINC000594599333 398828519 /nfs/dbraw/zinc/82/85/19/398828519.db2.gz JGUNYOZCRIIIMT-DZGCQCFKSA-N 1 1 315.377 2.900 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C1CC1 ZINC000129996356 398841039 /nfs/dbraw/zinc/84/10/39/398841039.db2.gz SHMSDSILECQIKT-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO O=C(CC[N@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000594713911 398847369 /nfs/dbraw/zinc/84/73/69/398847369.db2.gz JMASHPBKAWBRKO-JSGCOSHPSA-N 1 1 303.362 2.798 20 5 DFBDMO Cc1cccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000052842938 398852294 /nfs/dbraw/zinc/85/22/94/398852294.db2.gz DRFMRRRBRICKFV-CQSZACIVSA-N 1 1 319.405 2.898 20 5 DFBDMO O=[N+]([O-])c1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000594734916 398851820 /nfs/dbraw/zinc/85/18/20/398851820.db2.gz GSBLVYNDXWKZQG-AWEZNQCLSA-N 1 1 309.435 2.868 20 5 DFBDMO Cc1noc(C)c1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153006992 283348760 /nfs/dbraw/zinc/34/87/60/283348760.db2.gz HHGBLGSVMUEIBK-UHFFFAOYSA-N 1 1 301.346 2.800 20 5 DFBDMO Cc1noc(C)c1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153006992 283348764 /nfs/dbraw/zinc/34/87/64/283348764.db2.gz HHGBLGSVMUEIBK-UHFFFAOYSA-N 1 1 301.346 2.800 20 5 DFBDMO C[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053047701 398860230 /nfs/dbraw/zinc/86/02/30/398860230.db2.gz PSIGHWUGKQILJG-UHFFFAOYSA-N 1 1 313.357 2.708 20 5 DFBDMO C[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053047701 398860231 /nfs/dbraw/zinc/86/02/31/398860231.db2.gz PSIGHWUGKQILJG-UHFFFAOYSA-N 1 1 313.357 2.708 20 5 DFBDMO CC(C)([NH2+]Cc1cnn2c1CCC2)c1ccccc1[N+](=O)[O-] ZINC000594942876 398878044 /nfs/dbraw/zinc/87/80/44/398878044.db2.gz CTLZOWPEWYQABO-UHFFFAOYSA-N 1 1 300.362 2.762 20 5 DFBDMO CCCc1[nH+]ccn1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000153530687 283372606 /nfs/dbraw/zinc/37/26/06/283372606.db2.gz REERJBMQXAWDPR-UHFFFAOYSA-N 1 1 313.317 2.842 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000595002962 398889461 /nfs/dbraw/zinc/88/94/61/398889461.db2.gz AAFUXFMNZCBGHW-GFCCVEGCSA-N 1 1 319.405 2.881 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000595018322 398892243 /nfs/dbraw/zinc/89/22/43/398892243.db2.gz MINFGGKEFRNAKU-FRRDWIJNSA-N 1 1 319.405 2.879 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000595018322 398892246 /nfs/dbraw/zinc/89/22/46/398892246.db2.gz MINFGGKEFRNAKU-FRRDWIJNSA-N 1 1 319.405 2.879 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015740 398891908 /nfs/dbraw/zinc/89/19/08/398891908.db2.gz GNFKGGJDGSKYPU-KBPBESRZSA-N 1 1 321.421 2.986 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000175058264 283397153 /nfs/dbraw/zinc/39/71/53/283397153.db2.gz QMTDSBSYFFVVEA-CHWSQXEVSA-N 1 1 307.369 2.793 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000595016034 398892624 /nfs/dbraw/zinc/89/26/24/398892624.db2.gz GJOPCVDYHNBTKJ-TZMCWYRMSA-N 1 1 319.405 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000595016034 398892626 /nfs/dbraw/zinc/89/26/26/398892626.db2.gz GJOPCVDYHNBTKJ-TZMCWYRMSA-N 1 1 319.405 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000595021589 398893126 /nfs/dbraw/zinc/89/31/26/398893126.db2.gz PXOKMTKTQYCBJG-JQWIXIFHSA-N 1 1 316.361 2.535 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F ZINC000595035011 398895592 /nfs/dbraw/zinc/89/55/92/398895592.db2.gz FZHZTCJQGXBPHR-RKDXNWHRSA-N 1 1 322.283 2.567 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000470171960 299293064 /nfs/dbraw/zinc/29/30/64/299293064.db2.gz QRAWCVVGEDSJCF-LCYFTJDESA-N 1 1 319.405 2.845 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000470171960 299293065 /nfs/dbraw/zinc/29/30/65/299293065.db2.gz QRAWCVVGEDSJCF-LCYFTJDESA-N 1 1 319.405 2.845 20 5 DFBDMO Cc1cc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCOCC2)on1 ZINC000599020283 398908674 /nfs/dbraw/zinc/90/86/74/398908674.db2.gz KULXSDBYMQPWJK-UHFFFAOYSA-N 1 1 317.345 2.687 20 5 DFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000187336961 200097416 /nfs/dbraw/zinc/09/74/16/200097416.db2.gz PVJSFAKDUKJBAT-INIZCTEOSA-N 1 1 322.405 2.645 20 5 DFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)Cc1ccsc1 ZINC000187791671 200157723 /nfs/dbraw/zinc/15/77/23/200157723.db2.gz CTZZFQZHCSIVFG-GFCCVEGCSA-N 1 1 308.407 2.806 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599063235 398915571 /nfs/dbraw/zinc/91/55/71/398915571.db2.gz XZNHWNOJYWLXIX-ABAIWWIYSA-N 1 1 300.362 2.895 20 5 DFBDMO CCn1nncc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000599063395 398915813 /nfs/dbraw/zinc/91/58/13/398915813.db2.gz YWKRMHUFOFSERM-OAHLLOKOSA-N 1 1 315.377 2.718 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595319961 398921743 /nfs/dbraw/zinc/92/17/43/398921743.db2.gz UWJXKWWTQMJDTN-SWLSCSKDSA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1noc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1[N+](=O)[O-] ZINC000595328460 398922561 /nfs/dbraw/zinc/92/25/61/398922561.db2.gz VVTJVPOKONGDSI-CYBMUJFWSA-N 1 1 309.366 2.815 20 5 DFBDMO Cc1noc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1[N+](=O)[O-] ZINC000595328460 398922563 /nfs/dbraw/zinc/92/25/63/398922563.db2.gz VVTJVPOKONGDSI-CYBMUJFWSA-N 1 1 309.366 2.815 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000595352206 398925746 /nfs/dbraw/zinc/92/57/46/398925746.db2.gz JZYQKSSXNOQGDT-HNNXBMFYSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000595352206 398925747 /nfs/dbraw/zinc/92/57/47/398925747.db2.gz JZYQKSSXNOQGDT-HNNXBMFYSA-N 1 1 317.320 2.782 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000599139406 398927643 /nfs/dbraw/zinc/92/76/43/398927643.db2.gz NUJOJKUXZGPUJI-GFCCVEGCSA-N 1 1 321.377 2.525 20 5 DFBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471797347 299305576 /nfs/dbraw/zinc/30/55/76/299305576.db2.gz HZFYHDZHATWBKP-RISCZKNCSA-N 1 1 302.330 2.810 20 5 DFBDMO Cc1nccn1CCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595389465 398930791 /nfs/dbraw/zinc/93/07/91/398930791.db2.gz OVCFREIDNRVUAN-UHFFFAOYSA-N 1 1 306.341 2.761 20 5 DFBDMO CCc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000471802448 299305367 /nfs/dbraw/zinc/30/53/67/299305367.db2.gz AZKJVSJBDWQQJA-CYBMUJFWSA-N 1 1 319.405 2.619 20 5 DFBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471804151 299306749 /nfs/dbraw/zinc/30/67/49/299306749.db2.gz KZBKJPUANHQXTM-YGRLFVJLSA-N 1 1 319.386 2.673 20 5 DFBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000471804151 299306752 /nfs/dbraw/zinc/30/67/52/299306752.db2.gz KZBKJPUANHQXTM-YGRLFVJLSA-N 1 1 319.386 2.673 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO[C@H]2CC2(F)F)C2CC2)cc1 ZINC000595405059 398932714 /nfs/dbraw/zinc/93/27/14/398932714.db2.gz RYWISJAGAHHYLV-AWEZNQCLSA-N 1 1 312.316 2.983 20 5 DFBDMO Cc1ccnc(N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000077994987 398934036 /nfs/dbraw/zinc/93/40/36/398934036.db2.gz ZCTJWKYGQVYLGR-UHFFFAOYSA-N 1 1 304.394 2.753 20 5 DFBDMO CSCCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281206506 216152921 /nfs/dbraw/zinc/15/29/21/216152921.db2.gz AVECBVIXCJGEOG-UHFFFAOYSA-N 1 1 311.407 2.608 20 5 DFBDMO CC(=O)c1[nH]c(CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nc1C ZINC000595420419 398935031 /nfs/dbraw/zinc/93/50/31/398935031.db2.gz DXEAETURHBSTQM-SNVBAGLBSA-N 1 1 316.361 2.722 20 5 DFBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595465761 398944691 /nfs/dbraw/zinc/94/46/91/398944691.db2.gz FUQFIGVMTKUOSP-MCIONIFRSA-N 1 1 323.393 2.797 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c1[N+](=O)[O-] ZINC000595481464 398947214 /nfs/dbraw/zinc/94/72/14/398947214.db2.gz HJFOSJVGGDCPKY-XJKCOSOUSA-N 1 1 323.393 2.797 20 5 DFBDMO CC(C)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000595482323 398947617 /nfs/dbraw/zinc/94/76/17/398947617.db2.gz NFCAGIKBSXKEFV-RYUDHWBXSA-N 1 1 324.274 2.771 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000272019910 209389351 /nfs/dbraw/zinc/38/93/51/209389351.db2.gz LHOPJLHAHYTBGX-UHFFFAOYSA-N 1 1 318.377 2.595 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]1(C)CCCO ZINC000272005728 209377825 /nfs/dbraw/zinc/37/78/25/209377825.db2.gz IYLLFSDQEMUQTB-INIZCTEOSA-N 1 1 308.378 2.730 20 5 DFBDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595504408 398951677 /nfs/dbraw/zinc/95/16/77/398951677.db2.gz ITPHQCVBGKDHJZ-INIZCTEOSA-N 1 1 307.369 2.652 20 5 DFBDMO CC1(C)CC(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000599325995 398954411 /nfs/dbraw/zinc/95/44/11/398954411.db2.gz OQZASKHJNMDLGU-CYBMUJFWSA-N 1 1 304.394 2.912 20 5 DFBDMO COC(=O)CCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599335258 398955727 /nfs/dbraw/zinc/95/57/27/398955727.db2.gz QVOWYFMXLQNLMW-UHFFFAOYSA-N 1 1 306.362 2.903 20 5 DFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000078506263 398961963 /nfs/dbraw/zinc/96/19/63/398961963.db2.gz ATKILCWJYICNGG-OAHLLOKOSA-N 1 1 312.373 2.701 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000056342132 398963531 /nfs/dbraw/zinc/96/35/31/398963531.db2.gz UKZNDGXNNGZOHP-UHFFFAOYSA-N 1 1 322.409 2.507 20 5 DFBDMO CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1CC ZINC000599367810 398964593 /nfs/dbraw/zinc/96/45/93/398964593.db2.gz NBMOMYNPZDOXDG-AWEZNQCLSA-N 1 1 307.394 2.607 20 5 DFBDMO CCN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1CC ZINC000599367810 398964598 /nfs/dbraw/zinc/96/45/98/398964598.db2.gz NBMOMYNPZDOXDG-AWEZNQCLSA-N 1 1 307.394 2.607 20 5 DFBDMO CCN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1CC ZINC000599367810 398964602 /nfs/dbraw/zinc/96/46/02/398964602.db2.gz NBMOMYNPZDOXDG-AWEZNQCLSA-N 1 1 307.394 2.607 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000078563561 398966813 /nfs/dbraw/zinc/96/68/13/398966813.db2.gz GBMASGKPCIIJEM-GFCCVEGCSA-N 1 1 322.365 2.671 20 5 DFBDMO O=C1[C@@H]([N@H+]2C[C@@H]3CCCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595569552 398977426 /nfs/dbraw/zinc/97/74/26/398977426.db2.gz ZLLFDVATHNVYAI-RCBQFDQVSA-N 1 1 315.373 2.575 20 5 DFBDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595592431 398988268 /nfs/dbraw/zinc/98/82/68/398988268.db2.gz DSBWKVITRPRNGD-NSHDSACASA-N 1 1 309.366 2.662 20 5 DFBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595590741 398988461 /nfs/dbraw/zinc/98/84/61/398988461.db2.gz BFYRIOCUDJVGCY-INIZCTEOSA-N 1 1 318.348 2.769 20 5 DFBDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595592429 398988597 /nfs/dbraw/zinc/98/85/97/398988597.db2.gz DSBWKVITRPRNGD-LLVKDONJSA-N 1 1 309.366 2.662 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000275495040 212372606 /nfs/dbraw/zinc/37/26/06/212372606.db2.gz BYXMKILTJTVWIR-CABCVRRESA-N 1 1 318.377 2.652 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170735746 399019443 /nfs/dbraw/zinc/01/94/43/399019443.db2.gz XWAVLQMULFMHIA-QWHCGFSZSA-N 1 1 305.378 2.633 20 5 DFBDMO CN(c1ncc([N+](=O)[O-])s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281888577 216611165 /nfs/dbraw/zinc/61/11/65/216611165.db2.gz LYAONSJXCLXJAA-ZDUSSCGKSA-N 1 1 318.402 2.762 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000595677641 399031386 /nfs/dbraw/zinc/03/13/86/399031386.db2.gz PPHDDYUVQLHTHU-ZFWWWQNUSA-N 1 1 322.405 2.976 20 5 DFBDMO C[C@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000599632979 399035866 /nfs/dbraw/zinc/03/58/66/399035866.db2.gz IKJHSHUVTUHVTO-CQSZACIVSA-N 1 1 321.421 2.905 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632147 399036056 /nfs/dbraw/zinc/03/60/56/399036056.db2.gz UTTRJAMRFXZGCL-SNCVEODUSA-N 1 1 308.403 2.641 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632540 399036589 /nfs/dbraw/zinc/03/65/89/399036589.db2.gz YLLXJCZVUPTWML-XZXUEEQJSA-N 1 1 308.403 2.641 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632148 399036674 /nfs/dbraw/zinc/03/66/74/399036674.db2.gz UTTRJAMRFXZGCL-SGVRJHEMSA-N 1 1 308.403 2.641 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000595696409 399039395 /nfs/dbraw/zinc/03/93/95/399039395.db2.gz KPSIECDAFNRIEJ-TZMCWYRMSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000595696405 399039492 /nfs/dbraw/zinc/03/94/92/399039492.db2.gz KPSIECDAFNRIEJ-GXTWGEPZSA-N 1 1 308.378 2.586 20 5 DFBDMO O=C(C[N@H+]1CCCC2(CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599672174 399055135 /nfs/dbraw/zinc/05/51/35/399055135.db2.gz BWSQHFRAHFVFIR-UHFFFAOYSA-N 1 1 303.362 2.799 20 5 DFBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600470144 399058540 /nfs/dbraw/zinc/05/85/40/399058540.db2.gz GMCVRGWTYPSYMN-CQSZACIVSA-N 1 1 317.389 2.650 20 5 DFBDMO COC(=O)C1C[C@@H](C)[NH+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000599687274 399063869 /nfs/dbraw/zinc/06/38/69/399063869.db2.gz AAZACKGTYXYYAI-GHMZBOCLSA-N 1 1 324.352 2.896 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599687479 399064203 /nfs/dbraw/zinc/06/42/03/399064203.db2.gz CDOLAQWJLPFJMN-AGGWBTHJSA-N 1 1 320.389 2.799 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595742292 399065393 /nfs/dbraw/zinc/06/53/93/399065393.db2.gz YPHFWZZBKRSESA-HNNXBMFYSA-N 1 1 319.405 2.659 20 5 DFBDMO COc1cc(C[N@H+](C)CC2=CCCOC2)c([N+](=O)[O-])cc1F ZINC000595747254 399067517 /nfs/dbraw/zinc/06/75/17/399067517.db2.gz IVSMQHRJGZBRMS-UHFFFAOYSA-N 1 1 310.325 2.521 20 5 DFBDMO COc1cc(C[N@@H+](C)CC2=CCCOC2)c([N+](=O)[O-])cc1F ZINC000595747254 399067523 /nfs/dbraw/zinc/06/75/23/399067523.db2.gz IVSMQHRJGZBRMS-UHFFFAOYSA-N 1 1 310.325 2.521 20 5 DFBDMO CN(C(=O)C[N@H+]1CCC[C@H](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595754813 399070494 /nfs/dbraw/zinc/07/04/94/399070494.db2.gz CMEDGXCGVAMASP-CYBMUJFWSA-N 1 1 323.368 2.629 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000595753315 399070653 /nfs/dbraw/zinc/07/06/53/399070653.db2.gz YOQHHDDPERFNBB-KRWDZBQOSA-N 1 1 320.389 2.601 20 5 DFBDMO CN(C(=O)C[N@H+]1CCC[C@@H](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595754814 399070839 /nfs/dbraw/zinc/07/08/39/399070839.db2.gz CMEDGXCGVAMASP-ZDUSSCGKSA-N 1 1 323.368 2.629 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755700 399072067 /nfs/dbraw/zinc/07/20/67/399072067.db2.gz OQZWMNYIPZDSDE-CHWSQXEVSA-N 1 1 323.368 2.993 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CCF)C1 ZINC000595755700 399072073 /nfs/dbraw/zinc/07/20/73/399072073.db2.gz OQZWMNYIPZDSDE-CHWSQXEVSA-N 1 1 323.368 2.993 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595756769 399072562 /nfs/dbraw/zinc/07/25/62/399072562.db2.gz WPTHSMPRSRPVJQ-STQMWFEESA-N 1 1 323.368 2.993 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595810751 399094956 /nfs/dbraw/zinc/09/49/56/399094956.db2.gz NKSARIQSDAOSAA-YNEHKIRRSA-N 1 1 303.362 2.572 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595810751 399094960 /nfs/dbraw/zinc/09/49/60/399094960.db2.gz NKSARIQSDAOSAA-YNEHKIRRSA-N 1 1 303.362 2.572 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc(Cn3cc[nH+]c3C3CC3)n2)c1 ZINC000600611694 399098328 /nfs/dbraw/zinc/09/83/28/399098328.db2.gz UFFRLLUCTJNNJK-UHFFFAOYSA-N 1 1 311.301 2.767 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595821786 399097867 /nfs/dbraw/zinc/09/78/67/399097867.db2.gz GBZDWTIJWOFJTL-UHFFFAOYSA-N 1 1 302.374 2.986 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595821786 399097873 /nfs/dbraw/zinc/09/78/73/399097873.db2.gz GBZDWTIJWOFJTL-UHFFFAOYSA-N 1 1 302.374 2.986 20 5 DFBDMO COc1cc(C[NH+]2CCC(c3ccon3)CC2)ccc1[N+](=O)[O-] ZINC000595829668 399102095 /nfs/dbraw/zinc/10/20/95/399102095.db2.gz YNQPDCLOCTVYMM-UHFFFAOYSA-N 1 1 317.345 2.971 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830193 399102343 /nfs/dbraw/zinc/10/23/43/399102343.db2.gz DLOKRRJMBBRUQG-ZIAGYGMSSA-N 1 1 317.389 2.600 20 5 DFBDMO COCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000419389685 296139405 /nfs/dbraw/zinc/13/94/05/296139405.db2.gz OZVGXPLOGMKLRE-ZDUSSCGKSA-N 1 1 323.393 2.589 20 5 DFBDMO CC(C)NC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595849202 399112570 /nfs/dbraw/zinc/11/25/70/399112570.db2.gz DWSRUBUPEYSROP-ZIAGYGMSSA-N 1 1 319.405 2.892 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191547 284156679 /nfs/dbraw/zinc/15/66/79/284156679.db2.gz IOKOHNZVBCOORP-QWHCGFSZSA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191547 284156681 /nfs/dbraw/zinc/15/66/81/284156681.db2.gz IOKOHNZVBCOORP-QWHCGFSZSA-N 1 1 318.295 2.873 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093437329 193251818 /nfs/dbraw/zinc/25/18/18/193251818.db2.gz ZPODDAIPWGCOSY-ODINRWKCSA-N 1 1 301.390 2.777 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534329 193266323 /nfs/dbraw/zinc/26/63/23/193266323.db2.gz LNXPRRFVGGIKSL-LBPRGKRZSA-N 1 1 302.334 2.578 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908222 399130617 /nfs/dbraw/zinc/13/06/17/399130617.db2.gz GFRCRIJQSYODQQ-CALCHBBNSA-N 1 1 302.374 2.987 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080464225 399150219 /nfs/dbraw/zinc/15/02/19/399150219.db2.gz VVGPNVLCUWHPON-CHWSQXEVSA-N 1 1 303.362 2.716 20 5 DFBDMO Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)cc1[N+](=O)[O-] ZINC000080464124 399150383 /nfs/dbraw/zinc/15/03/83/399150383.db2.gz USWGALZWUTVBLN-OCCSQVGLSA-N 1 1 303.362 2.716 20 5 DFBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000596059977 399158620 /nfs/dbraw/zinc/15/86/20/399158620.db2.gz WSAQMAMFTWTDMU-MRXNPFEDSA-N 1 1 303.406 2.806 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618584826 399169707 /nfs/dbraw/zinc/16/97/07/399169707.db2.gz OIBGQNULLAIERF-GJZGRUSLSA-N 1 1 315.377 2.534 20 5 DFBDMO COc1cc(C[N@H+]2CCCCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000342031885 284311891 /nfs/dbraw/zinc/31/18/91/284311891.db2.gz KZYYRHCWHGJOBQ-CQSZACIVSA-N 1 1 308.378 2.730 20 5 DFBDMO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000596108039 399176266 /nfs/dbraw/zinc/17/62/66/399176266.db2.gz KXGZZKRPLDGUSY-SECBINFHSA-N 1 1 307.741 2.750 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000282650414 217153274 /nfs/dbraw/zinc/15/32/74/217153274.db2.gz CIFNWUVZOXBEDR-WFASDCNBSA-N 1 1 310.369 2.963 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000342067166 284321237 /nfs/dbraw/zinc/32/12/37/284321237.db2.gz OXJRNSLNZJQIEF-CQSZACIVSA-N 1 1 308.378 2.601 20 5 DFBDMO Cc1[nH+]ccn1[C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596116927 399179417 /nfs/dbraw/zinc/17/94/17/399179417.db2.gz ZIMKBLJAVBQURV-LLVKDONJSA-N 1 1 321.768 2.990 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222930 399179784 /nfs/dbraw/zinc/17/97/84/399179784.db2.gz SEKHGOOMYWWJTN-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222930 399179791 /nfs/dbraw/zinc/17/97/91/399179791.db2.gz SEKHGOOMYWWJTN-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000097257901 193700208 /nfs/dbraw/zinc/70/02/08/193700208.db2.gz WVCUVWWLMWTWAD-CYBMUJFWSA-N 1 1 320.393 2.757 20 5 DFBDMO Cc1cc(N2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596147150 399191658 /nfs/dbraw/zinc/19/16/58/399191658.db2.gz MWCDPEGTDAESLC-UHFFFAOYSA-N 1 1 313.423 2.512 20 5 DFBDMO C[C@H]1CCCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614251756 399190339 /nfs/dbraw/zinc/19/03/39/399190339.db2.gz TVXWUKMETLESTL-LBPRGKRZSA-N 1 1 306.362 2.988 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000198374858 399194217 /nfs/dbraw/zinc/19/42/17/399194217.db2.gz DFEFAPMGSSNTTO-AWEZNQCLSA-N 1 1 319.405 2.518 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000266224425 205195828 /nfs/dbraw/zinc/19/58/28/205195828.db2.gz RJTWLXFFIKDGCB-ZDUSSCGKSA-N 1 1 305.378 2.575 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601011464 399203196 /nfs/dbraw/zinc/20/31/96/399203196.db2.gz RKGPFTXRPLUPCG-VXGBXAGGSA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1ccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000063726990 399204968 /nfs/dbraw/zinc/20/49/68/399204968.db2.gz VDWBRYRLEPVFTH-UHFFFAOYSA-N 1 1 319.405 2.850 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000063724965 399204580 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O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000267431685 206061520 /nfs/dbraw/zinc/06/15/20/206061520.db2.gz MSJGSBILQXSSOX-CYBMUJFWSA-N 1 1 316.361 2.576 20 5 DFBDMO C[C@H]1C[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601137428 399238770 /nfs/dbraw/zinc/23/87/70/399238770.db2.gz XRCFNVLHNZLRBR-NWDGAFQWSA-N 1 1 301.346 2.792 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420945310 296216120 /nfs/dbraw/zinc/21/61/20/296216120.db2.gz RNEGYJIHMBJLDC-ZIAGYGMSSA-N 1 1 322.405 2.832 20 5 DFBDMO C[C@](CO)([NH2+]Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149600 399241771 /nfs/dbraw/zinc/24/17/71/399241771.db2.gz OQAHTXHXBOMNLE-MRXNPFEDSA-N 1 1 322.311 2.870 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267553640 206141496 /nfs/dbraw/zinc/14/14/96/206141496.db2.gz SGPKWJCZXFYKAI-CABCVRRESA-N 1 1 317.389 2.860 20 5 DFBDMO C[C@@H]1COCC[C@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601164840 399245465 /nfs/dbraw/zinc/24/54/65/399245465.db2.gz GWYHPFWPIXTCMJ-NEPJUHHUSA-N 1 1 301.346 2.649 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](CCCO)C3)c2c1 ZINC000601173359 399247817 /nfs/dbraw/zinc/24/78/17/399247817.db2.gz YLZAOXBMRWLTHC-LBPRGKRZSA-N 1 1 301.346 2.742 20 5 DFBDMO CC[C@@]1(O)CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601232504 399260143 /nfs/dbraw/zinc/26/01/43/399260143.db2.gz DHFPROGJMLUWNV-MRXNPFEDSA-N 1 1 301.346 2.884 20 5 DFBDMO C[C@@H]1C[C@@H](CO)CCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601269500 399267312 /nfs/dbraw/zinc/26/73/12/399267312.db2.gz GNDHCQWCDOAFMC-NEPJUHHUSA-N 1 1 301.346 2.740 20 5 DFBDMO Cc1[nH+]ccn1CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000267986331 206380624 /nfs/dbraw/zinc/38/06/24/206380624.db2.gz QIEBPVABXIYUTE-UHFFFAOYSA-N 1 1 317.349 2.538 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000601321710 399277552 /nfs/dbraw/zinc/27/75/52/399277552.db2.gz VDZURMYROBICJQ-FZMZJTMJSA-N 1 1 316.361 2.986 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000421513434 296261939 /nfs/dbraw/zinc/26/19/39/296261939.db2.gz FFSNHNMCDARMFQ-HIFRSBDPSA-N 1 1 319.405 2.670 20 5 DFBDMO O=[N+]([O-])c1ncccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000608778911 399294729 /nfs/dbraw/zinc/29/47/29/399294729.db2.gz DFUCWVRSSGFOOZ-UHFFFAOYSA-N 1 1 314.345 2.566 20 5 DFBDMO Cn1cc([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000609144821 399305962 /nfs/dbraw/zinc/30/59/62/399305962.db2.gz GYJRPZOFPCGAQB-GFCCVEGCSA-N 1 1 318.352 2.847 20 5 DFBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000609144821 399305965 /nfs/dbraw/zinc/30/59/65/399305965.db2.gz GYJRPZOFPCGAQB-GFCCVEGCSA-N 1 1 318.352 2.847 20 5 DFBDMO Cc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260515 399311634 /nfs/dbraw/zinc/31/16/34/399311634.db2.gz UTHJGOPJIXNAMX-MRXNPFEDSA-N 1 1 300.362 2.937 20 5 DFBDMO COc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000051854318 425883301 /nfs/dbraw/zinc/88/33/01/425883301.db2.gz PAOFDXAQEIIYJH-CYBMUJFWSA-N 1 1 306.362 2.604 20 5 DFBDMO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])s2)C[C@@H]1CC ZINC000609738811 399330350 /nfs/dbraw/zinc/33/03/50/399330350.db2.gz DCGQINFFVIJZHC-LBPRGKRZSA-N 1 1 313.423 2.593 20 5 DFBDMO CCOCC[N@H+]1CCN(c2ccc([N+](=O)[O-])s2)C[C@@H]1CC ZINC000609738811 399330352 /nfs/dbraw/zinc/33/03/52/399330352.db2.gz DCGQINFFVIJZHC-LBPRGKRZSA-N 1 1 313.423 2.593 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000104687430 194025440 /nfs/dbraw/zinc/02/54/40/194025440.db2.gz JLQSZWOFSYPZNJ-NSHDSACASA-N 1 1 309.366 2.662 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284757448 218165063 /nfs/dbraw/zinc/16/50/63/218165063.db2.gz LXGQQXYSFFOONC-XJKSGUPXSA-N 1 1 306.362 2.747 20 5 DFBDMO Cc1cnc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000610283881 399354007 /nfs/dbraw/zinc/35/40/07/399354007.db2.gz DRWFMYBLSBCUHF-CHWSQXEVSA-N 1 1 322.409 2.598 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000105795619 194130426 /nfs/dbraw/zinc/13/04/26/194130426.db2.gz XVUHLDBMLLGCME-ZDUSSCGKSA-N 1 1 301.350 2.590 20 5 DFBDMO CC(C)N1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284989330 218249249 /nfs/dbraw/zinc/24/92/49/218249249.db2.gz GKYSPTBFRVSBQN-LBPRGKRZSA-N 1 1 306.410 2.700 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601969902 399371683 /nfs/dbraw/zinc/37/16/83/399371683.db2.gz MPLMSPPYDFJNJK-SWLSCSKDSA-N 1 1 305.378 2.599 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000610477010 399371717 /nfs/dbraw/zinc/37/17/17/399371717.db2.gz GJYPHKKJRSTIPR-UHFFFAOYSA-N 1 1 318.421 2.977 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601972376 399371978 /nfs/dbraw/zinc/37/19/78/399371978.db2.gz ZOGKTCBYGFLVMR-LYKUJDHUSA-N 1 1 312.316 2.964 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601972376 399371980 /nfs/dbraw/zinc/37/19/80/399371980.db2.gz ZOGKTCBYGFLVMR-LYKUJDHUSA-N 1 1 312.316 2.964 20 5 DFBDMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000105900297 194164779 /nfs/dbraw/zinc/16/47/79/194164779.db2.gz QVBFBDGOTRFSIF-HNNXBMFYSA-N 1 1 300.362 2.937 20 5 DFBDMO C[C@H]1c2ccc(F)cc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610485204 399372554 /nfs/dbraw/zinc/37/25/54/399372554.db2.gz PHGHJPAWQGMYER-NSHDSACASA-N 1 1 304.325 2.550 20 5 DFBDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610485204 399372555 /nfs/dbraw/zinc/37/25/55/399372555.db2.gz PHGHJPAWQGMYER-NSHDSACASA-N 1 1 304.325 2.550 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1[N+](=O)[O-] ZINC000601969142 399371464 /nfs/dbraw/zinc/37/14/64/399371464.db2.gz JKAOYPNCVWADPM-CYBMUJFWSA-N 1 1 300.305 2.759 20 5 DFBDMO Cc1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1[N+](=O)[O-] ZINC000601969142 399371466 /nfs/dbraw/zinc/37/14/66/399371466.db2.gz JKAOYPNCVWADPM-CYBMUJFWSA-N 1 1 300.305 2.759 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(Cl)c1 ZINC000106369635 194203048 /nfs/dbraw/zinc/20/30/48/194203048.db2.gz WUMWMYOBRQBJEZ-GFCCVEGCSA-N 1 1 311.769 2.523 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c(Cl)c1 ZINC000106369635 194203050 /nfs/dbraw/zinc/20/30/50/194203050.db2.gz WUMWMYOBRQBJEZ-GFCCVEGCSA-N 1 1 311.769 2.523 20 5 DFBDMO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285134227 218304191 /nfs/dbraw/zinc/30/41/91/218304191.db2.gz AKUICSVNCGFOHU-WDEREUQCSA-N 1 1 314.332 2.998 20 5 DFBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285134227 218304194 /nfs/dbraw/zinc/30/41/94/218304194.db2.gz AKUICSVNCGFOHU-WDEREUQCSA-N 1 1 314.332 2.998 20 5 DFBDMO COC[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000610604923 399385624 /nfs/dbraw/zinc/38/56/24/399385624.db2.gz GOGKUSUOGFGTLD-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO COC[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000610604924 399385903 /nfs/dbraw/zinc/38/59/03/399385903.db2.gz GOGKUSUOGFGTLD-OAHLLOKOSA-N 1 1 308.378 2.993 20 5 DFBDMO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268183 218358871 /nfs/dbraw/zinc/35/88/71/218358871.db2.gz QRYXAPVHOXCWAR-GXFFZTMASA-N 1 1 305.334 2.544 20 5 DFBDMO CCn1cc(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000285307284 218373449 /nfs/dbraw/zinc/37/34/49/218373449.db2.gz LUDAHULESQNIDI-UHFFFAOYSA-N 1 1 302.378 2.528 20 5 DFBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000285307509 218375290 /nfs/dbraw/zinc/37/52/90/218375290.db2.gz HVWHKUAQPCCJRM-GASCZTMLSA-N 1 1 317.345 2.859 20 5 DFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000285307509 218375291 /nfs/dbraw/zinc/37/52/91/218375291.db2.gz HVWHKUAQPCCJRM-GASCZTMLSA-N 1 1 317.345 2.859 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000615838933 399387976 /nfs/dbraw/zinc/38/79/76/399387976.db2.gz XXTRRGNDFPEZQI-VXXVJXPCSA-N 1 1 313.361 2.537 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000610678136 399391764 /nfs/dbraw/zinc/39/17/64/399391764.db2.gz DKKNXIKLHBGQBK-GXSJLCMTSA-N 1 1 315.320 2.948 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000610678652 399391820 /nfs/dbraw/zinc/39/18/20/399391820.db2.gz YVNZMSVZVMZXQN-IAQYHMDHSA-N 1 1 300.362 2.895 20 5 DFBDMO C[C@@H]1C[C@H](C)N(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422561015 296312704 /nfs/dbraw/zinc/31/27/04/296312704.db2.gz IMMNHFOLKSOYPW-OBKZQHTGSA-N 1 1 303.406 2.913 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000110490026 194334177 /nfs/dbraw/zinc/33/41/77/194334177.db2.gz NNFPNXURNYTHQR-NEPJUHHUSA-N 1 1 311.769 2.523 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000610765566 399403938 /nfs/dbraw/zinc/40/39/38/399403938.db2.gz WMIARBMJWNPJBW-MRXNPFEDSA-N 1 1 313.357 2.781 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOC(C)(C)C ZINC000610859723 399412817 /nfs/dbraw/zinc/41/28/17/399412817.db2.gz JZYCTBKJFUUARL-GFCCVEGCSA-N 1 1 323.393 2.669 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOC(C)(C)C ZINC000610859723 399412821 /nfs/dbraw/zinc/41/28/21/399412821.db2.gz JZYCTBKJFUUARL-GFCCVEGCSA-N 1 1 323.393 2.669 20 5 DFBDMO C[N@@H+](CCOC(C)(C)C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000610859751 399413018 /nfs/dbraw/zinc/41/30/18/399413018.db2.gz LFRNQCVRSRWHOS-UHFFFAOYSA-N 1 1 323.393 2.670 20 5 DFBDMO COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc(OC)c1O ZINC000061116347 184161984 /nfs/dbraw/zinc/16/19/84/184161984.db2.gz HIOXLUGGSKTDSD-UHFFFAOYSA-N 1 1 318.329 2.607 20 5 DFBDMO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602436222 399443336 /nfs/dbraw/zinc/44/33/36/399443336.db2.gz XASPDRHDQDGKSG-CQSZACIVSA-N 1 1 304.325 2.805 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602436222 399443338 /nfs/dbraw/zinc/44/33/38/399443338.db2.gz XASPDRHDQDGKSG-CQSZACIVSA-N 1 1 304.325 2.805 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C(F)F)C3)o2)cc1 ZINC000611179586 399442131 /nfs/dbraw/zinc/44/21/31/399442131.db2.gz FLNXHEDAKJXEME-SNVBAGLBSA-N 1 1 324.287 2.732 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](C(F)F)C3)o2)cc1 ZINC000611179586 399442132 /nfs/dbraw/zinc/44/21/32/399442132.db2.gz FLNXHEDAKJXEME-SNVBAGLBSA-N 1 1 324.287 2.732 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602447902 399446967 /nfs/dbraw/zinc/44/69/67/399446967.db2.gz CQISJFDPOVXBSW-OAHLLOKOSA-N 1 1 318.352 2.675 20 5 DFBDMO CCC[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@H+]1CCOC ZINC000611228180 399447993 /nfs/dbraw/zinc/44/79/93/399447993.db2.gz NZUSGOIADIEPJI-LBPRGKRZSA-N 1 1 313.423 2.593 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602453246 399448608 /nfs/dbraw/zinc/44/86/08/399448608.db2.gz JTUOBIYSPYOUOF-HNNXBMFYSA-N 1 1 318.352 2.675 20 5 DFBDMO CC(C)[C@H]1CCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254669 399451856 /nfs/dbraw/zinc/45/18/56/399451856.db2.gz QDQJZJWARVXVDW-CYBMUJFWSA-N 1 1 306.362 2.986 20 5 DFBDMO COc1cc(N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000611255922 399452501 /nfs/dbraw/zinc/45/25/01/399452501.db2.gz UMFACRWSRZLBMM-STQMWFEESA-N 1 1 323.368 2.806 20 5 DFBDMO CC[C@H](C)[C@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602471383 399453013 /nfs/dbraw/zinc/45/30/13/399453013.db2.gz CMJOXGDMYAMLER-YDHLFZDLSA-N 1 1 322.409 2.537 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602472223 399454496 /nfs/dbraw/zinc/45/44/96/399454496.db2.gz PTSILKSQGUAVIS-CYBMUJFWSA-N 1 1 318.352 2.532 20 5 DFBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602473324 399454574 /nfs/dbraw/zinc/45/45/74/399454574.db2.gz FNEOCNHXZGDBCV-HNNXBMFYSA-N 1 1 302.378 2.781 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000602476353 399456031 /nfs/dbraw/zinc/45/60/31/399456031.db2.gz ODPRIZQSNUHPHM-CZUORRHYSA-N 1 1 314.389 2.954 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000602476351 399456423 /nfs/dbraw/zinc/45/64/23/399456423.db2.gz ODPRIZQSNUHPHM-BBRMVZONSA-N 1 1 314.389 2.954 20 5 DFBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C)ncn2)cc1[N+](=O)[O-] ZINC000611337233 399462748 /nfs/dbraw/zinc/46/27/48/399462748.db2.gz CPEWTONKVJWWJT-GFCCVEGCSA-N 1 1 316.361 2.943 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000611515320 399485886 /nfs/dbraw/zinc/48/58/86/399485886.db2.gz HIBGDQFQHPJKCE-ZDUSSCGKSA-N 1 1 316.361 2.706 20 5 DFBDMO COc1cccc([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000611520575 399487541 /nfs/dbraw/zinc/48/75/41/399487541.db2.gz CVPLXNYKRCXFQK-INIZCTEOSA-N 1 1 320.320 2.566 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)n1 ZINC000611616429 399499095 /nfs/dbraw/zinc/49/90/95/399499095.db2.gz OAEHXLWAOHETOR-KBPBESRZSA-N 1 1 304.394 2.670 20 5 DFBDMO C[C@H]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000611707733 399508600 /nfs/dbraw/zinc/50/86/00/399508600.db2.gz KVRRLBYVWGSKKL-QWRGUYRKSA-N 1 1 313.361 2.575 20 5 DFBDMO CC(=O)N[C@@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347373171 285019717 /nfs/dbraw/zinc/01/97/17/285019717.db2.gz WRIXVLHCRLQPSE-RCBBPTIPSA-N 1 1 317.389 2.599 20 5 DFBDMO CCn1ccc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000616786294 399512441 /nfs/dbraw/zinc/51/24/41/399512441.db2.gz SETDRGWMYQZVNR-UHFFFAOYSA-N 1 1 303.362 2.927 20 5 DFBDMO Cn1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602670834 399513586 /nfs/dbraw/zinc/51/35/86/399513586.db2.gz QRWSAXNZDYWSHD-AWEZNQCLSA-N 1 1 300.362 2.708 20 5 DFBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347413337 285041648 /nfs/dbraw/zinc/04/16/48/285041648.db2.gz UBMQHFVSTMQYGQ-WCQYABFASA-N 1 1 315.377 2.679 20 5 DFBDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602686804 399520363 /nfs/dbraw/zinc/52/03/63/399520363.db2.gz FCAPYWOOERCTHH-LLVKDONJSA-N 1 1 306.341 2.530 20 5 DFBDMO COc1cc(NCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])cc1F ZINC000302159270 533028557 /nfs/dbraw/zinc/02/85/57/533028557.db2.gz ORYIVAFBHFQRFL-UHFFFAOYSA-N 1 1 309.341 2.806 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000270144498 208203422 /nfs/dbraw/zinc/20/34/22/208203422.db2.gz QEXIJMKQIGWGKF-WFASDCNBSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000270144495 208204070 /nfs/dbraw/zinc/20/40/70/208204070.db2.gz QEXIJMKQIGWGKF-DOMZBBRYSA-N 1 1 308.378 2.586 20 5 DFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000248788794 285085250 /nfs/dbraw/zinc/08/52/50/285085250.db2.gz ZVCIYZDYGGXKPW-NSHDSACASA-N 1 1 315.295 2.898 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000159000483 197318123 /nfs/dbraw/zinc/31/81/23/197318123.db2.gz JJIQXOCCBXXZHE-HUUCEWRRSA-N 1 1 319.405 2.662 20 5 DFBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000347668144 285122577 /nfs/dbraw/zinc/12/25/77/285122577.db2.gz VBCMZVPKNGCXTB-HNNXBMFYSA-N 1 1 319.405 2.641 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000171939206 285126340 /nfs/dbraw/zinc/12/63/40/285126340.db2.gz YOZQTPWQKXWOFH-LLVKDONJSA-N 1 1 315.295 2.898 20 5 DFBDMO Cc1c(NC(=O)NCC[N@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000602762120 399559907 /nfs/dbraw/zinc/55/99/07/399559907.db2.gz IILDYQWEIJOYJL-UHFFFAOYSA-N 1 1 320.393 2.899 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286506967 219026346 /nfs/dbraw/zinc/02/63/46/219026346.db2.gz ROAOTEDUWYCKKV-QWRGUYRKSA-N 1 1 311.332 2.542 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000602777036 399568050 /nfs/dbraw/zinc/56/80/50/399568050.db2.gz IOCJTCGMESSLJR-AWEZNQCLSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000602777036 399568054 /nfs/dbraw/zinc/56/80/54/399568054.db2.gz IOCJTCGMESSLJR-AWEZNQCLSA-N 1 1 304.325 2.686 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000288750381 220390550 /nfs/dbraw/zinc/39/05/50/220390550.db2.gz GKWQRDRSCCWCBB-JSGCOSHPSA-N 1 1 308.378 2.586 20 5 DFBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000157868755 197222386 /nfs/dbraw/zinc/22/23/86/197222386.db2.gz JUTPPLNSUGRLTF-UHFFFAOYSA-N 1 1 321.377 2.664 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000602788864 399574197 /nfs/dbraw/zinc/57/41/97/399574197.db2.gz SHCMKJBPOCLIOS-CQSZACIVSA-N 1 1 318.352 2.728 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000602808650 399583717 /nfs/dbraw/zinc/58/37/17/399583717.db2.gz NIJSDXDOGUXBSP-WFASDCNBSA-N 1 1 315.377 2.578 20 5 DFBDMO CSc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602826055 399590296 /nfs/dbraw/zinc/59/02/96/399590296.db2.gz LYNRWZQINDQKKQ-SNVBAGLBSA-N 1 1 306.391 2.901 20 5 DFBDMO CCOc1ccc([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423278337 296400244 /nfs/dbraw/zinc/40/02/44/296400244.db2.gz QQXHXCIAIKFOAM-UBHSHLNASA-N 1 1 307.394 2.772 20 5 DFBDMO Cc1[nH]ncc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271549639 209003142 /nfs/dbraw/zinc/00/31/42/209003142.db2.gz VPLMLFQKUDHUMK-OAHLLOKOSA-N 1 1 300.362 2.737 20 5 DFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC(F)(F)C[NH3+] ZINC000423337883 296406002 /nfs/dbraw/zinc/40/60/02/296406002.db2.gz HSYFFUMPLSCCSP-SNVBAGLBSA-N 1 1 319.377 2.649 20 5 DFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cccc(O)c3)CC2)c1 ZINC000120661625 195211041 /nfs/dbraw/zinc/21/10/41/195211041.db2.gz SWDOBZYEKFVPMV-UHFFFAOYSA-N 1 1 313.357 2.623 20 5 DFBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271577456 209027509 /nfs/dbraw/zinc/02/75/09/209027509.db2.gz RNRFAFNLIMMTBY-UMVBOHGHSA-N 1 1 308.378 2.597 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000602907312 399622280 /nfs/dbraw/zinc/62/22/80/399622280.db2.gz WBBKONFVBZDINN-HNNXBMFYSA-N 1 1 314.389 2.762 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000332527784 533221309 /nfs/dbraw/zinc/22/13/09/533221309.db2.gz TUNZFSDBGSWHNH-CZUORRHYSA-N 1 1 319.405 2.662 20 5 DFBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+](CCO)C1CC1 ZINC000289785141 221224925 /nfs/dbraw/zinc/22/49/25/221224925.db2.gz LHNNCFCKJOMDER-UHFFFAOYSA-N 1 1 305.161 2.858 20 5 DFBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+](CCO)C1CC1 ZINC000289785141 221224927 /nfs/dbraw/zinc/22/49/27/221224927.db2.gz LHNNCFCKJOMDER-UHFFFAOYSA-N 1 1 305.161 2.858 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000289979361 221357125 /nfs/dbraw/zinc/35/71/25/221357125.db2.gz ZPPJJFCLRMOFDU-UHFFFAOYSA-N 1 1 320.393 2.715 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC000602997261 399654672 /nfs/dbraw/zinc/65/46/72/399654672.db2.gz GQCRKRHBGZNKSK-ULQDDVLXSA-N 1 1 320.389 2.599 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000602997263 399655031 /nfs/dbraw/zinc/65/50/31/399655031.db2.gz GROANOISUPWCGJ-DZKIICNBSA-N 1 1 320.389 2.729 20 5 DFBDMO C[C@@H](C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000603054409 399667229 /nfs/dbraw/zinc/66/72/29/399667229.db2.gz JLCIMKCENSFSHA-NSHDSACASA-N 1 1 307.394 2.808 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987788 399650962 /nfs/dbraw/zinc/65/09/62/399650962.db2.gz RFMOGOLLKPFVFE-XHVZSJERSA-N 1 1 318.295 2.758 20 5 DFBDMO CC1(F)CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000602992985 399652578 /nfs/dbraw/zinc/65/25/78/399652578.db2.gz MMSAVMNHHPNCSW-UHFFFAOYSA-N 1 1 320.324 2.969 20 5 DFBDMO C[C@H]1CCSCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348157744 285387823 /nfs/dbraw/zinc/38/78/23/285387823.db2.gz KLMHDIJBXZUZSQ-JTQLQIEISA-N 1 1 306.391 2.799 20 5 DFBDMO C[C@H]1CCSCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348157744 285387825 /nfs/dbraw/zinc/38/78/25/285387825.db2.gz KLMHDIJBXZUZSQ-JTQLQIEISA-N 1 1 306.391 2.799 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000293022576 533558286 /nfs/dbraw/zinc/55/82/86/533558286.db2.gz KQWMDNUTXQCYBG-QGZVFWFLSA-N 1 1 322.405 2.834 20 5 DFBDMO Cc1cnc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000603415137 399771283 /nfs/dbraw/zinc/77/12/83/399771283.db2.gz GQROSFQCAQOYNU-HOTGVXAUSA-N 1 1 324.384 2.761 20 5 DFBDMO O=[N+]([O-])c1ncccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000603836927 399807746 /nfs/dbraw/zinc/80/77/46/399807746.db2.gz IYCIILAIELWWJI-YVMONPNESA-N 1 1 324.384 2.825 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOc3ccccc3C2)c1 ZINC000603869872 399811596 /nfs/dbraw/zinc/81/15/96/399811596.db2.gz VBSLXYWVSOJUPI-UHFFFAOYSA-N 1 1 314.341 2.868 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOc3ccccc3C2)c1 ZINC000603869872 399811602 /nfs/dbraw/zinc/81/16/02/399811602.db2.gz VBSLXYWVSOJUPI-UHFFFAOYSA-N 1 1 314.341 2.868 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000604303566 399835537 /nfs/dbraw/zinc/83/55/37/399835537.db2.gz DYHDUFWTNAIUAA-MJBXVCDLSA-N 1 1 304.394 2.831 20 5 DFBDMO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293770895 543021685 /nfs/dbraw/zinc/02/16/85/543021685.db2.gz PNUYANNFSGJDTE-STQMWFEESA-N 1 1 306.410 2.560 20 5 DFBDMO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000293770895 543021688 /nfs/dbraw/zinc/02/16/88/543021688.db2.gz PNUYANNFSGJDTE-STQMWFEESA-N 1 1 306.410 2.560 20 5 DFBDMO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000301292388 543045512 /nfs/dbraw/zinc/04/55/12/543045512.db2.gz XBYARAIUAPLJEH-CYBMUJFWSA-N 1 1 300.362 2.922 20 5 DFBDMO CCC(CC)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000604434828 399846768 /nfs/dbraw/zinc/84/67/68/399846768.db2.gz XNWYBRPVMILHAB-MRXNPFEDSA-N 1 1 322.405 2.988 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000353930193 146834829 /nfs/dbraw/zinc/83/48/29/146834829.db2.gz KZSGSJAZQYTIKU-ZDUSSCGKSA-N 1 1 320.393 2.763 20 5 DFBDMO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000349462381 285868537 /nfs/dbraw/zinc/86/85/37/285868537.db2.gz ZJQPPYJFSIVMQN-GFCCVEGCSA-N 1 1 304.350 2.578 20 5 DFBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000171406255 145263838 /nfs/dbraw/zinc/26/38/38/145263838.db2.gz NXRQMHPFFDEUAJ-UHFFFAOYSA-N 1 1 321.299 2.604 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000172855584 145319817 /nfs/dbraw/zinc/31/98/17/145319817.db2.gz KYWVXPOMOLTIQR-CHWSQXEVSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000364868626 297091733 /nfs/dbraw/zinc/09/17/33/297091733.db2.gz GUTKGXYQPYWZIY-PWSUYJOCSA-N 1 1 310.785 2.706 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227694463 146007488 /nfs/dbraw/zinc/00/74/88/146007488.db2.gz VCWYVGRVQLRZIY-FRRDWIJNSA-N 1 1 305.378 2.900 20 5 DFBDMO C[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000246035134 146115906 /nfs/dbraw/zinc/11/59/06/146115906.db2.gz PZZGYHZADNCUNS-BBRMVZONSA-N 1 1 317.389 2.822 20 5 DFBDMO Cc1c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000262449834 146361558 /nfs/dbraw/zinc/36/15/58/146361558.db2.gz HSCHTPQBQVUBMT-OWCLPIDISA-N 1 1 303.406 2.914 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000354372306 147012071 /nfs/dbraw/zinc/01/20/71/147012071.db2.gz MKLZVIKHGDBJOG-AWEZNQCLSA-N 1 1 319.405 2.898 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000354414909 147028831 /nfs/dbraw/zinc/02/88/31/147028831.db2.gz ZEZIFKQVDJAGMQ-GHMZBOCLSA-N 1 1 311.407 2.601 20 5 DFBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355257208 147241608 /nfs/dbraw/zinc/24/16/08/147241608.db2.gz WGQXHZKMDOKKHH-MRXNPFEDSA-N 1 1 319.405 2.979 20 5 DFBDMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC(O)C1 ZINC000355368023 147286427 /nfs/dbraw/zinc/28/64/27/147286427.db2.gz JSBNGUANOJHOLY-UHFFFAOYSA-N 1 1 302.330 2.810 20 5 DFBDMO C[C@H](NC(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccccc1[N+](=O)[O-] ZINC000355458060 147324215 /nfs/dbraw/zinc/32/42/15/147324215.db2.gz QITWCCJGMDZFLI-FZMZJTMJSA-N 1 1 314.345 2.546 20 5 DFBDMO CC(C)[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000438483137 297094726 /nfs/dbraw/zinc/09/47/26/297094726.db2.gz CGBGFZNWWXCYNG-CYBMUJFWSA-N 1 1 305.378 2.536 20 5 DFBDMO CCC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CC1 ZINC000355608011 147383418 /nfs/dbraw/zinc/38/34/18/147383418.db2.gz OQZYPKFOPOAEGW-UHFFFAOYSA-N 1 1 322.361 2.521 20 5 DFBDMO CCCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000357555500 148035996 /nfs/dbraw/zinc/03/59/96/148035996.db2.gz URDMWLCTNGFFEV-UHFFFAOYSA-N 1 1 317.389 2.748 20 5 DFBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000357666919 148076834 /nfs/dbraw/zinc/07/68/34/148076834.db2.gz RTUVGAAVDNKZAS-AAEUAGOBSA-N 1 1 306.366 2.507 20 5 DFBDMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000357684954 148084418 /nfs/dbraw/zinc/08/44/18/148084418.db2.gz YAQDCSAHDLBINV-PWSUYJOCSA-N 1 1 306.366 2.507 20 5 DFBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCc3sccc3C2)cn1 ZINC000350304206 286026256 /nfs/dbraw/zinc/02/62/56/286026256.db2.gz YHUAFIGOLHIANJ-UHFFFAOYSA-N 1 1 304.375 2.522 20 5 DFBDMO Cc1c(C[NH2+][C@H](c2nccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000358314996 148327094 /nfs/dbraw/zinc/32/70/94/148327094.db2.gz YGGDNLIVSFACKR-HNNXBMFYSA-N 1 1 300.362 2.878 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000358475214 148371102 /nfs/dbraw/zinc/37/11/02/148371102.db2.gz UVVYBKZCKPOMRP-UHFFFAOYSA-N 1 1 318.377 2.677 20 5 DFBDMO COc1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000359616763 148707798 /nfs/dbraw/zinc/70/77/98/148707798.db2.gz KBNNGPKLCWRFKG-AWEZNQCLSA-N 1 1 320.320 2.566 20 5 DFBDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1O ZINC000350628123 286064922 /nfs/dbraw/zinc/06/49/22/286064922.db2.gz UVMIGGCUVMFOIM-UHFFFAOYSA-N 1 1 306.293 2.738 20 5 DFBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361469534 149124690 /nfs/dbraw/zinc/12/46/90/149124690.db2.gz MUGUDVQTRDMZKE-INIZCTEOSA-N 1 1 313.357 2.643 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1CO ZINC000361654924 149181823 /nfs/dbraw/zinc/18/18/23/149181823.db2.gz MYGKGTDOLVZRSU-QWHCGFSZSA-N 1 1 316.357 2.915 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361856258 149238243 /nfs/dbraw/zinc/23/82/43/149238243.db2.gz WPHMXVWKUWDNEX-OLZOCXBDSA-N 1 1 320.393 2.816 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000371331259 150026084 /nfs/dbraw/zinc/02/60/84/150026084.db2.gz GFARFZCGEBRMIC-TVKHYIBRSA-N 1 1 302.374 2.966 20 5 DFBDMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1ccc([N+](=O)[O-])o1 ZINC000371555086 150064642 /nfs/dbraw/zinc/06/46/42/150064642.db2.gz VBHBXVHSKRCSQD-UHFFFAOYSA-N 1 1 313.313 2.918 20 5 DFBDMO CC[C@](C)(O)C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000372460071 150175582 /nfs/dbraw/zinc/17/55/82/150175582.db2.gz MDRHVWDHNCAZDZ-KRWDZBQOSA-N 1 1 319.405 2.736 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000351604772 286167029 /nfs/dbraw/zinc/16/70/29/286167029.db2.gz WKUCMPBJEAUPHP-ZDUSSCGKSA-N 1 1 306.362 2.713 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000372977082 150211054 /nfs/dbraw/zinc/21/10/54/150211054.db2.gz IXYXFGAXZOPWQQ-GOEBONIOSA-N 1 1 320.389 2.994 20 5 DFBDMO CN(C[C@H]1CCn2cc[nH+]c2C1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000373047582 150221058 /nfs/dbraw/zinc/22/10/58/150221058.db2.gz RXMOMSOZZHYIIK-JTQLQIEISA-N 1 1 322.315 2.768 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000373095883 150229612 /nfs/dbraw/zinc/22/96/12/150229612.db2.gz VMADFHVUCJXQGX-UHFFFAOYSA-N 1 1 319.361 2.560 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC12CCC2 ZINC000373095883 150229614 /nfs/dbraw/zinc/22/96/14/150229614.db2.gz VMADFHVUCJXQGX-UHFFFAOYSA-N 1 1 319.361 2.560 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000373768425 150254826 /nfs/dbraw/zinc/25/48/26/150254826.db2.gz DSZZHLGBSCRDFQ-CYBMUJFWSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000373774821 150256308 /nfs/dbraw/zinc/25/63/08/150256308.db2.gz YTXQSOXAQQWOAL-CYBMUJFWSA-N 1 1 316.361 2.706 20 5 DFBDMO CCOc1cc(C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351633766 286176414 /nfs/dbraw/zinc/17/64/14/286176414.db2.gz LYIXVWXQCRNDOB-HIFRSBDPSA-N 1 1 322.405 2.976 20 5 DFBDMO COc1cc(N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000374153506 150313752 /nfs/dbraw/zinc/31/37/52/150313752.db2.gz JSKHNWBBJFRWGS-KBPBESRZSA-N 1 1 305.378 2.666 20 5 DFBDMO CC1=C(c2ccco2)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000374529364 150374559 /nfs/dbraw/zinc/37/45/59/150374559.db2.gz IKSNMFMDOXKNQM-UHFFFAOYSA-N 1 1 302.334 2.564 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375044426 150390636 /nfs/dbraw/zinc/39/06/36/150390636.db2.gz XIXWRXJNFROXNL-KRWDZBQOSA-N 1 1 316.332 2.827 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000351716968 286201406 /nfs/dbraw/zinc/20/14/06/286201406.db2.gz BZDRBMYDCZOKOX-QWRGUYRKSA-N 1 1 313.348 2.788 20 5 DFBDMO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351755222 286210842 /nfs/dbraw/zinc/21/08/42/286210842.db2.gz HNHXYKKQOSEXOH-ZJUUUORDSA-N 1 1 300.305 2.608 20 5 DFBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351755222 286210843 /nfs/dbraw/zinc/21/08/43/286210843.db2.gz HNHXYKKQOSEXOH-ZJUUUORDSA-N 1 1 300.305 2.608 20 5 DFBDMO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000352012512 286269473 /nfs/dbraw/zinc/26/94/73/286269473.db2.gz FSPWFKIZLQMRCX-NSHDSACASA-N 1 1 311.332 2.542 20 5 DFBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000352281143 286335575 /nfs/dbraw/zinc/33/55/75/286335575.db2.gz SUVMXMJNNBTXML-HNNXBMFYSA-N 1 1 319.405 2.818 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352367985 286355282 /nfs/dbraw/zinc/35/52/82/286355282.db2.gz RVXFJUUHCFIEKC-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO CS[C@H]1CCCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246353162 158087443 /nfs/dbraw/zinc/08/74/43/158087443.db2.gz WJQVJFXOXDEXEX-LSDHHAIUSA-N 1 1 310.419 2.846 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000246487390 158094020 /nfs/dbraw/zinc/09/40/20/158094020.db2.gz AJXMRGWLAFWLCZ-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000246487390 158094021 /nfs/dbraw/zinc/09/40/21/158094021.db2.gz AJXMRGWLAFWLCZ-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247029240 158113863 /nfs/dbraw/zinc/11/38/63/158113863.db2.gz DLKIFTVUOXZLHM-CZUORRHYSA-N 1 1 300.362 2.874 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000247225318 158123385 /nfs/dbraw/zinc/12/33/85/158123385.db2.gz XESWIEDZDWTJCG-GWCFXTLKSA-N 1 1 323.780 2.557 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CC[N@H+]3CCCC[C@H]3C2)c(Cl)c1 ZINC000248440174 158175958 /nfs/dbraw/zinc/17/59/58/158175958.db2.gz UOCLELUEHJFVSU-AWEZNQCLSA-N 1 1 309.797 2.918 20 5 DFBDMO CCOc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301558368 158220196 /nfs/dbraw/zinc/22/01/96/158220196.db2.gz XIEKBJKCLSCMNH-STQMWFEESA-N 1 1 323.393 2.515 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000353903859 158232494 /nfs/dbraw/zinc/23/24/94/158232494.db2.gz KIJUKIDUZVXCOX-FZMZJTMJSA-N 1 1 320.393 2.761 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000355128006 158279430 /nfs/dbraw/zinc/27/94/30/158279430.db2.gz HCYOOMXNZPDRRR-KGLIPLIRSA-N 1 1 306.362 2.604 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC2(CCCCC2)C1 ZINC000131969861 196215380 /nfs/dbraw/zinc/21/53/80/196215380.db2.gz LNGMLGYYLWADAI-UHFFFAOYSA-N 1 1 319.405 2.803 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134433232 196390919 /nfs/dbraw/zinc/39/09/19/196390919.db2.gz MIRGZDSTIYRZIW-GFCCVEGCSA-N 1 1 323.368 2.538 20 5 DFBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+](C2CC2)C1 ZINC000296673769 226109727 /nfs/dbraw/zinc/10/97/27/226109727.db2.gz HGRSHWZPVYTEMQ-LBPRGKRZSA-N 1 1 307.369 2.650 20 5 DFBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000302014241 230035798 /nfs/dbraw/zinc/03/57/98/230035798.db2.gz LDYROJLZDZSOMD-NSHDSACASA-N 1 1 306.391 2.849 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302022957 230042127 /nfs/dbraw/zinc/04/21/27/230042127.db2.gz GLWXGYLOJQGDGD-OKILXGFUSA-N 1 1 321.421 2.867 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000302611729 230317751 /nfs/dbraw/zinc/31/77/51/230317751.db2.gz BPSJPERBBDIDTR-ZDUSSCGKSA-N 1 1 316.361 2.673 20 5 DFBDMO Cc1cccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000055406523 425893439 /nfs/dbraw/zinc/89/34/39/425893439.db2.gz QGNGAPLMHJYTQB-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000067237551 425909443 /nfs/dbraw/zinc/90/94/43/425909443.db2.gz SKBGESOJZCFLQR-UHFFFAOYSA-N 1 1 319.405 2.898 20 5 DFBDMO COc1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000102409658 425919477 /nfs/dbraw/zinc/91/94/77/425919477.db2.gz CYMBSPRLOGXPQJ-AWEZNQCLSA-N 1 1 316.361 2.637 20 5 DFBDMO COc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000102409658 425919478 /nfs/dbraw/zinc/91/94/78/425919478.db2.gz CYMBSPRLOGXPQJ-AWEZNQCLSA-N 1 1 316.361 2.637 20 5 DFBDMO CC[N@@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000102479530 425921093 /nfs/dbraw/zinc/92/10/93/425921093.db2.gz QOUFFIVSLFVRHS-UHFFFAOYSA-N 1 1 318.377 2.536 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)CC1 ZINC000068837865 425921758 /nfs/dbraw/zinc/92/17/58/425921758.db2.gz JQSXISKWGHGIPZ-LBPRGKRZSA-N 1 1 305.378 2.964 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000068837860 425921880 /nfs/dbraw/zinc/92/18/80/425921880.db2.gz JKCXATNDWJGBGE-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000068837860 425921883 /nfs/dbraw/zinc/92/18/83/425921883.db2.gz JKCXATNDWJGBGE-LBPRGKRZSA-N 1 1 321.377 2.664 20 5 DFBDMO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000124535793 425924695 /nfs/dbraw/zinc/92/46/95/425924695.db2.gz YTWOLZMEPBUNTQ-KHGFPJFYSA-N 1 1 317.389 2.549 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000026940428 425813632 /nfs/dbraw/zinc/81/36/32/425813632.db2.gz YAUODGHHNJWNPH-UHFFFAOYSA-N 1 1 321.377 2.805 20 5 DFBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000037647635 425849013 /nfs/dbraw/zinc/84/90/13/425849013.db2.gz CFUOCBAKCGPOGJ-VIFPVBQESA-N 1 1 303.284 2.977 20 5 DFBDMO C[C@@H]([NH2+][C@H](C)c1ccccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194715220 268113450 /nfs/dbraw/zinc/11/34/50/268113450.db2.gz ZLOVEJJNKTUBMJ-VXGBXAGGSA-N 1 1 314.345 2.668 20 5 DFBDMO Cc1[nH+]ccn1CCCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194753477 268114777 /nfs/dbraw/zinc/11/47/77/268114777.db2.gz AUXLNNLTTORANN-UHFFFAOYSA-N 1 1 316.361 2.618 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000248368168 268166001 /nfs/dbraw/zinc/16/60/01/268166001.db2.gz UWDFGOFJVCOZNV-QWRGUYRKSA-N 1 1 302.334 2.875 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270692400 268201626 /nfs/dbraw/zinc/20/16/26/268201626.db2.gz GFAVNIQVIRBUPF-JSGCOSHPSA-N 1 1 323.780 2.605 20 5 DFBDMO C[N@@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000270999784 268246891 /nfs/dbraw/zinc/24/68/91/268246891.db2.gz KUIOUKPZXWMWON-UHFFFAOYSA-N 1 1 310.737 2.932 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000290722065 268282677 /nfs/dbraw/zinc/28/26/77/268282677.db2.gz POHANTZDZAURBS-CYBMUJFWSA-N 1 1 322.409 2.514 20 5 DFBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000124902304 425944801 /nfs/dbraw/zinc/94/48/01/425944801.db2.gz IEKGFAYUAVWFBZ-CYBMUJFWSA-N 1 1 315.377 2.899 20 5 DFBDMO CCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CC1 ZINC000072950258 426022511 /nfs/dbraw/zinc/02/25/11/426022511.db2.gz CWORFBMIMSMUKD-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000073101961 426023933 /nfs/dbraw/zinc/02/39/33/426023933.db2.gz MBQGBZQJSZFGIH-DOMZBBRYSA-N 1 1 317.389 2.848 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000161886228 426043339 /nfs/dbraw/zinc/04/33/39/426043339.db2.gz DXPQBIYYRCUAKK-CQSZACIVSA-N 1 1 319.405 2.611 20 5 DFBDMO Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161911936 426044538 /nfs/dbraw/zinc/04/45/38/426044538.db2.gz SUCCPFOOAGGUTE-CJNGLKHVSA-N 1 1 316.405 2.751 20 5 DFBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCC1 ZINC000111296429 426044833 /nfs/dbraw/zinc/04/48/33/426044833.db2.gz WKXSRWZZQAHEHP-UHFFFAOYSA-N 1 1 302.334 2.877 20 5 DFBDMO COc1c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C)nn1C ZINC000162301502 426060789 /nfs/dbraw/zinc/06/07/89/426060789.db2.gz TYZMHVPAORUPGU-NSHDSACASA-N 1 1 318.377 2.805 20 5 DFBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000112074050 426065099 /nfs/dbraw/zinc/06/50/99/426065099.db2.gz NAYKKAHQYQDPTR-CYBMUJFWSA-N 1 1 312.373 2.818 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000072897612 426020347 /nfs/dbraw/zinc/02/03/47/426020347.db2.gz JKFQZNCOLCQKGW-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000072897612 426020350 /nfs/dbraw/zinc/02/03/50/426020350.db2.gz JKFQZNCOLCQKGW-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCCO1 ZINC000128123681 426102322 /nfs/dbraw/zinc/10/23/22/426102322.db2.gz HHLCSGXIBXNTMR-GFCCVEGCSA-N 1 1 316.304 2.807 20 5 DFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCCO1 ZINC000128123681 426102327 /nfs/dbraw/zinc/10/23/27/426102327.db2.gz HHLCSGXIBXNTMR-GFCCVEGCSA-N 1 1 316.304 2.807 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000076489725 426113813 /nfs/dbraw/zinc/11/38/13/426113813.db2.gz FOABYYKUPCKHAF-CJNGLKHVSA-N 1 1 319.405 2.706 20 5 DFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000114458728 426135771 /nfs/dbraw/zinc/13/57/71/426135771.db2.gz SITFPXBHGVOCAT-DLBZAZTESA-N 1 1 322.405 2.989 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000112464613 426080127 /nfs/dbraw/zinc/08/01/27/426080127.db2.gz AJSVIVWBRFCLKU-UHFFFAOYSA-N 1 1 308.382 2.757 20 5 DFBDMO CC(C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000075633410 426080321 /nfs/dbraw/zinc/08/03/21/426080321.db2.gz GXETVIOGJDKODW-UHFFFAOYSA-N 1 1 305.378 2.847 20 5 DFBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000133528708 426181027 /nfs/dbraw/zinc/18/10/27/426181027.db2.gz RELDRTQCXSEHRY-ZJUUUORDSA-N 1 1 306.322 2.540 20 5 DFBDMO Cc1c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116320860 426187486 /nfs/dbraw/zinc/18/74/86/426187486.db2.gz NHRRYINSMQDVHF-AWEZNQCLSA-N 1 1 300.362 2.626 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135620361 426224557 /nfs/dbraw/zinc/22/45/57/426224557.db2.gz FVIOXTJBGGBORE-ZDUSSCGKSA-N 1 1 306.362 2.537 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135620361 426224560 /nfs/dbraw/zinc/22/45/60/426224560.db2.gz FVIOXTJBGGBORE-ZDUSSCGKSA-N 1 1 306.362 2.537 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000173809010 426248708 /nfs/dbraw/zinc/24/87/08/426248708.db2.gz HPBPNUNUDNTWFU-CQSZACIVSA-N 1 1 319.405 2.707 20 5 DFBDMO CCc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1[N+](=O)[O-] ZINC000174345805 426254034 /nfs/dbraw/zinc/25/40/34/426254034.db2.gz FQCBVNVIHDMDLJ-CYBMUJFWSA-N 1 1 319.405 2.571 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087116610 426265579 /nfs/dbraw/zinc/26/55/79/426265579.db2.gz YKOBIKVCKXMLJT-CQSZACIVSA-N 1 1 319.405 2.518 20 5 DFBDMO CCCC[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117333390 426211428 /nfs/dbraw/zinc/21/14/28/426211428.db2.gz MPMQPGWBAOSLSV-UHFFFAOYSA-N 1 1 307.350 2.625 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117333575 426211993 /nfs/dbraw/zinc/21/19/93/426211993.db2.gz OVHLEPTYJJBHMF-LBPRGKRZSA-N 1 1 319.361 2.767 20 5 DFBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)C(C)C ZINC000120240409 426308962 /nfs/dbraw/zinc/30/89/62/426308962.db2.gz OBDLAPZYMHWVLG-ZDUSSCGKSA-N 1 1 319.405 2.850 20 5 DFBDMO CCCC[N@@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892896 426316267 /nfs/dbraw/zinc/31/62/67/426316267.db2.gz SKKIGTSLAIBKGB-UHFFFAOYSA-N 1 1 319.361 2.844 20 5 DFBDMO CCC(C)(C)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090565345 426327488 /nfs/dbraw/zinc/32/74/88/426327488.db2.gz CIPDCSXPDYZPFJ-CQSZACIVSA-N 1 1 307.394 2.657 20 5 DFBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000175029393 426275314 /nfs/dbraw/zinc/27/53/14/426275314.db2.gz KGUWZCLZBRFTCZ-UONOGXRCSA-N 1 1 317.389 2.682 20 5 DFBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000152844077 426357331 /nfs/dbraw/zinc/35/73/31/426357331.db2.gz QBECFQAPXRPVMA-NSHDSACASA-N 1 1 323.418 2.745 20 5 DFBDMO COc1cccc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC000176201473 426359552 /nfs/dbraw/zinc/35/95/52/426359552.db2.gz GPWVTPAKBOIFJO-OAHLLOKOSA-N 1 1 316.361 2.637 20 5 DFBDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176250080 426364342 /nfs/dbraw/zinc/36/43/42/426364342.db2.gz DKBLPKCDYNRJPL-HUUCEWRRSA-N 1 1 314.389 2.978 20 5 DFBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1c1ccccc1 ZINC000176263438 426365479 /nfs/dbraw/zinc/36/54/79/426365479.db2.gz KUTBHMRENGGJPI-ZBFHGGJFSA-N 1 1 314.389 2.917 20 5 DFBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176263194 426365817 /nfs/dbraw/zinc/36/58/17/426365817.db2.gz QWCMNNXVHSRTLP-OAHLLOKOSA-N 1 1 302.378 2.744 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153107700 426371603 /nfs/dbraw/zinc/37/16/03/426371603.db2.gz MBDOEGIJIAKKTM-WBMJQRKESA-N 1 1 306.362 2.604 20 5 DFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000153357781 426381573 /nfs/dbraw/zinc/38/15/73/426381573.db2.gz CGEXYKPDMSBPTQ-DOMZBBRYSA-N 1 1 318.377 2.543 20 5 DFBDMO O=[N+]([O-])c1cnc(NCCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000122605305 426384276 /nfs/dbraw/zinc/38/42/76/426384276.db2.gz IMDOZQHSOMKGDC-UHFFFAOYSA-N 1 1 321.768 2.831 20 5 DFBDMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000153883058 426411394 /nfs/dbraw/zinc/41/13/94/426411394.db2.gz JPQCOJGTDJXRQQ-OAHLLOKOSA-N 1 1 319.405 2.819 20 5 DFBDMO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000153883058 426411396 /nfs/dbraw/zinc/41/13/96/426411396.db2.gz JPQCOJGTDJXRQQ-OAHLLOKOSA-N 1 1 319.405 2.819 20 5 DFBDMO CCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1[N+](=O)[O-] ZINC000177004662 426433874 /nfs/dbraw/zinc/43/38/74/426433874.db2.gz JDYWZDOZZRAIDQ-HNNXBMFYSA-N 1 1 319.405 2.714 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341075963 269040046 /nfs/dbraw/zinc/04/00/46/269040046.db2.gz ZFRXGZGIMVNIKE-BETUJISGSA-N 1 1 305.378 2.588 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341290393 269061635 /nfs/dbraw/zinc/06/16/35/269061635.db2.gz 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/nfs/dbraw/zinc/17/82/65/427178265.db2.gz QDWBEIUHFVFIKN-HNNXBMFYSA-N 1 1 317.433 2.944 20 5 DFBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000284315644 427180507 /nfs/dbraw/zinc/18/05/07/427180507.db2.gz ATECBSKHQIFTJO-CYBMUJFWSA-N 1 1 323.368 2.615 20 5 DFBDMO C[N@H+]1CCC[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000269377552 427181080 /nfs/dbraw/zinc/18/10/80/427181080.db2.gz OCLSNUSODFWJQX-CMPLNLGQSA-N 1 1 310.785 2.564 20 5 DFBDMO Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000269441980 427198102 /nfs/dbraw/zinc/19/81/02/427198102.db2.gz SUCCPFOOAGGUTE-BBRMVZONSA-N 1 1 316.405 2.751 20 5 DFBDMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000293159909 427227207 /nfs/dbraw/zinc/22/72/07/427227207.db2.gz UUIZBEMLIOWCRQ-KBPBESRZSA-N 1 1 317.389 2.704 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H]2CO)c1 ZINC000293158136 427228633 /nfs/dbraw/zinc/22/86/33/427228633.db2.gz RIUOZAXGXXPMHY-NSHDSACASA-N 1 1 304.268 2.570 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000293158136 427228640 /nfs/dbraw/zinc/22/86/40/427228640.db2.gz RIUOZAXGXXPMHY-NSHDSACASA-N 1 1 304.268 2.570 20 5 DFBDMO CC(C)[NH+]1CCC(N(C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330418344 427232776 /nfs/dbraw/zinc/23/27/76/427232776.db2.gz FIPUVWAHUQDNKC-UHFFFAOYSA-N 1 1 307.394 2.605 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC000285464490 427239648 /nfs/dbraw/zinc/23/96/48/427239648.db2.gz ZOCRYHDILHXPCD-UHFFFAOYSA-N 1 1 300.358 2.762 20 5 DFBDMO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000285462530 427240290 /nfs/dbraw/zinc/24/02/90/427240290.db2.gz ARBXHPRIJNBUPN-LKFCYVNXSA-N 1 1 323.299 2.652 20 5 DFBDMO COC1CCC([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269659445 427242757 /nfs/dbraw/zinc/24/27/57/427242757.db2.gz PTDZNUIMVDSVRS-BCLQGDPASA-N 1 1 308.378 2.518 20 5 DFBDMO COc1ccccc1C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269702783 427256167 /nfs/dbraw/zinc/25/61/67/427256167.db2.gz MHSXXFHCJQGSOB-MRXNPFEDSA-N 1 1 316.357 2.769 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255344855 427259636 /nfs/dbraw/zinc/25/96/36/427259636.db2.gz NNSDCERJZIBOOH-JXMNSVBMSA-N 1 1 317.389 2.551 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000285671329 427303658 /nfs/dbraw/zinc/30/36/58/427303658.db2.gz ZSCZHEPUXSEKMM-UHFFFAOYSA-N 1 1 314.341 2.738 20 5 DFBDMO CCc1ccc([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000293418403 427318466 /nfs/dbraw/zinc/31/84/66/427318466.db2.gz SNMFDROGEYWGEV-MRXNPFEDSA-N 1 1 314.389 2.843 20 5 DFBDMO Cc1nc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000297086090 427324896 /nfs/dbraw/zinc/32/48/96/427324896.db2.gz KEZFTXZVCJDTJF-GFCCVEGCSA-N 1 1 315.377 2.626 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293732849 427417763 /nfs/dbraw/zinc/41/77/63/427417763.db2.gz UYDBJPMZLVHYPS-MRXNPFEDSA-N 1 1 302.374 2.986 20 5 DFBDMO Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000277912501 427355729 /nfs/dbraw/zinc/35/57/29/427355729.db2.gz GNKNYGGVLOSIGE-AWEZNQCLSA-N 1 1 307.394 2.816 20 5 DFBDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000278806800 427459937 /nfs/dbraw/zinc/45/99/37/427459937.db2.gz ZPCKKIZQPUKCKW-GDBMZVCRSA-N 1 1 314.389 2.978 20 5 DFBDMO CN(c1ncc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286264785 427471810 /nfs/dbraw/zinc/47/18/10/427471810.db2.gz FWZAQMAWXZFUJG-ZACCUICWSA-N 1 1 310.785 2.705 20 5 DFBDMO COc1cc(C[N@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000184271584 427429456 /nfs/dbraw/zinc/42/94/56/427429456.db2.gz BSKFUPRYLKYRTE-JTQLQIEISA-N 1 1 300.355 2.680 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000184271584 427429464 /nfs/dbraw/zinc/42/94/64/427429464.db2.gz BSKFUPRYLKYRTE-JTQLQIEISA-N 1 1 300.355 2.680 20 5 DFBDMO CCOCC[N@H+]1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1CC ZINC000338669683 427431275 /nfs/dbraw/zinc/43/12/75/427431275.db2.gz ZXJJEOPRYIZQLQ-OAHLLOKOSA-N 1 1 321.421 2.840 20 5 DFBDMO COc1cc(C[NH2+][C@H](C)c2cccnc2)c([N+](=O)[O-])cc1F ZINC000184299238 427432682 /nfs/dbraw/zinc/43/26/82/427432682.db2.gz SASPVSKGROOXEH-SNVBAGLBSA-N 1 1 305.309 2.988 20 5 DFBDMO COc1ccc(NC(=O)CC[N@@H+](C(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000297729309 427438309 /nfs/dbraw/zinc/43/83/09/427438309.db2.gz CLQOYTYIRHKANB-UHFFFAOYSA-N 1 1 321.377 2.805 20 5 DFBDMO CCCNC(=O)C[N@H+](CCC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297726130 427438493 /nfs/dbraw/zinc/43/84/93/427438493.db2.gz BSXAHRPRVHHMOV-ZDUSSCGKSA-N 1 1 307.394 2.894 20 5 DFBDMO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297726130 427438499 /nfs/dbraw/zinc/43/84/99/427438499.db2.gz BSXAHRPRVHHMOV-ZDUSSCGKSA-N 1 1 307.394 2.894 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC3)n2)cc1 ZINC000279088355 427556221 /nfs/dbraw/zinc/55/62/21/427556221.db2.gz VZAQDKXAIIDOHD-ZDUSSCGKSA-N 1 1 300.318 2.944 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CC3)n2)cc1 ZINC000279088355 427556226 /nfs/dbraw/zinc/55/62/26/427556226.db2.gz VZAQDKXAIIDOHD-ZDUSSCGKSA-N 1 1 300.318 2.944 20 5 DFBDMO CCCNC(=O)C[N@H+](CCC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000298073224 427517146 /nfs/dbraw/zinc/51/71/46/427517146.db2.gz JQFQHBRIABZMCP-ZDUSSCGKSA-N 1 1 307.394 2.894 20 5 DFBDMO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000298073224 427517153 /nfs/dbraw/zinc/51/71/53/427517153.db2.gz JQFQHBRIABZMCP-ZDUSSCGKSA-N 1 1 307.394 2.894 20 5 DFBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000286413836 427520153 /nfs/dbraw/zinc/52/01/53/427520153.db2.gz KCLVSJFIFPLACR-CYBMUJFWSA-N 1 1 323.368 2.615 20 5 DFBDMO CCC(=O)c1ccc(N2CC[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286418840 427521709 /nfs/dbraw/zinc/52/17/09/427521709.db2.gz QVSZHTUUCFQSIT-LBPRGKRZSA-N 1 1 305.378 2.718 20 5 DFBDMO CCC(=O)c1ccc(N2CC[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286418840 427521713 /nfs/dbraw/zinc/52/17/13/427521713.db2.gz QVSZHTUUCFQSIT-LBPRGKRZSA-N 1 1 305.378 2.718 20 5 DFBDMO O=[N+]([O-])c1c[nH]c(-c2csc([C@H]3C[N@H+]4CCC[C@H]4CO3)n2)c1 ZINC000338899824 427547691 /nfs/dbraw/zinc/54/76/91/427547691.db2.gz IOGDEQUUZCKCKR-TVQRCGJNSA-N 1 1 320.374 2.582 20 5 DFBDMO CC(C)[N@H+]1CCCC[C@H]1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332517239 427617667 /nfs/dbraw/zinc/61/76/67/427617667.db2.gz NFIUDMSHEXTLNW-HNNXBMFYSA-N 1 1 318.421 2.611 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000263817653 427582204 /nfs/dbraw/zinc/58/22/04/427582204.db2.gz WKOIVAHJELSGBG-UHFFFAOYSA-N 1 1 309.366 2.520 20 5 DFBDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000338954795 427590391 /nfs/dbraw/zinc/59/03/91/427590391.db2.gz YPKXSDOHYYKYEC-MRXNPFEDSA-N 1 1 308.378 2.531 20 5 DFBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000298437342 427609993 /nfs/dbraw/zinc/60/99/93/427609993.db2.gz BNNZGLMWJUDSAM-GFCCVEGCSA-N 1 1 305.378 2.604 20 5 DFBDMO Cc1ccc([C@H](C)[NH2+]Cc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000192944685 427640267 /nfs/dbraw/zinc/64/02/67/427640267.db2.gz ABSSAKAOIGXMSY-LBPRGKRZSA-N 1 1 311.345 2.797 20 5 DFBDMO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000339063044 427660053 /nfs/dbraw/zinc/66/00/53/427660053.db2.gz QKNUNCCHMAZMJM-TVQRCGJNSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1O ZINC000339063044 427660059 /nfs/dbraw/zinc/66/00/59/427660059.db2.gz QKNUNCCHMAZMJM-TVQRCGJNSA-N 1 1 318.295 2.816 20 5 DFBDMO Cc1nc(N(C)CCc2ccccc2[N+](=O)[O-])c(C)c(C)[nH+]1 ZINC000343240560 272102324 /nfs/dbraw/zinc/10/23/24/272102324.db2.gz UWFIXMCAMBNIOH-UHFFFAOYSA-N 1 1 300.362 2.989 20 5 DFBDMO C[C@@H]1[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC[N@H+]1C ZINC000343488397 272158371 /nfs/dbraw/zinc/15/83/71/272158371.db2.gz FQOCOHFKQPRLPN-ZWNOBZJWSA-N 1 1 317.345 2.554 20 5 DFBDMO Cc1cnc(N2CC([N@@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000343622756 272186562 /nfs/dbraw/zinc/18/65/62/272186562.db2.gz IPPHWEHFCQCLSD-UHFFFAOYSA-N 1 1 312.373 2.619 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000295064818 427679900 /nfs/dbraw/zinc/67/99/00/427679900.db2.gz ZJMFJUAKHQTYTF-LBPRGKRZSA-N 1 1 317.389 2.718 20 5 DFBDMO CC[C@@H]1CCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000343904284 272234506 /nfs/dbraw/zinc/23/45/06/272234506.db2.gz HNXPVIIRWLXISU-GFCCVEGCSA-N 1 1 319.361 2.767 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916971 272237210 /nfs/dbraw/zinc/23/72/10/272237210.db2.gz GXZZULDQEWFXAQ-WMLDXEAASA-N 1 1 303.406 2.696 20 5 DFBDMO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916971 272237212 /nfs/dbraw/zinc/23/72/12/272237212.db2.gz GXZZULDQEWFXAQ-WMLDXEAASA-N 1 1 303.406 2.696 20 5 DFBDMO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916971 272237214 /nfs/dbraw/zinc/23/72/14/272237214.db2.gz GXZZULDQEWFXAQ-WMLDXEAASA-N 1 1 303.406 2.696 20 5 DFBDMO CCC[N@@H+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343933172 272240012 /nfs/dbraw/zinc/24/00/12/272240012.db2.gz QVZKGIXBIQPDOD-UHFFFAOYSA-N 1 1 307.350 2.625 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344026279 272250443 /nfs/dbraw/zinc/25/04/43/272250443.db2.gz BTPKMVAKGUWICV-LLVKDONJSA-N 1 1 305.378 2.562 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000344082725 272259490 /nfs/dbraw/zinc/25/94/90/272259490.db2.gz RXEYWOMGZLDGFU-ZFWWWQNUSA-N 1 1 322.405 2.703 20 5 DFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000344125641 272269122 /nfs/dbraw/zinc/26/91/22/272269122.db2.gz INAMPYTYRVXALM-INIZCTEOSA-N 1 1 308.378 2.588 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000344167923 272279201 /nfs/dbraw/zinc/27/92/01/272279201.db2.gz UTPZKINNLFVFQP-KGLIPLIRSA-N 1 1 322.405 2.703 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1Cn1ccnn1 ZINC000344414703 272327721 /nfs/dbraw/zinc/32/77/21/272327721.db2.gz CQKZHYCNSASUGT-NSHDSACASA-N 1 1 321.768 2.504 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]1Cn1ccnn1 ZINC000344414703 272327722 /nfs/dbraw/zinc/32/77/22/272327722.db2.gz CQKZHYCNSASUGT-NSHDSACASA-N 1 1 321.768 2.504 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298721915 427687151 /nfs/dbraw/zinc/68/71/51/427687151.db2.gz JCNOUONJYYGNRK-HIFRSBDPSA-N 1 1 318.377 2.652 20 5 DFBDMO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000193483940 427694756 /nfs/dbraw/zinc/69/47/56/427694756.db2.gz HGGAQXGWAYVOHT-IUODEOHRSA-N 1 1 316.405 2.630 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000299133148 427754556 /nfs/dbraw/zinc/75/45/56/427754556.db2.gz ZNALZYYGQBEINU-CQSZACIVSA-N 1 1 319.405 2.837 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000336868553 427767382 /nfs/dbraw/zinc/76/73/82/427767382.db2.gz XFNBYRBKAAUXRW-IUODEOHRSA-N 1 1 307.369 2.793 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428266 427772873 /nfs/dbraw/zinc/77/28/73/427772873.db2.gz GXHIJJJPAHRRLH-QGZVFWFLSA-N 1 1 319.405 2.521 20 5 DFBDMO CCOc1cccc(NC[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000288064354 427733840 /nfs/dbraw/zinc/73/38/40/427733840.db2.gz ACIWMPWTCQPLFN-GFCCVEGCSA-N 1 1 316.361 2.865 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000336726519 427750143 /nfs/dbraw/zinc/75/01/43/427750143.db2.gz ZQXFSGLUDXNJKX-OAHLLOKOSA-N 1 1 312.373 2.924 20 5 DFBDMO CCOc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000301507537 427801398 /nfs/dbraw/zinc/80/13/98/427801398.db2.gz DEUYODVORAVIJL-ZDUSSCGKSA-N 1 1 307.394 2.772 20 5 DFBDMO CCCc1[nH+]ccn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000339690382 427812205 /nfs/dbraw/zinc/81/22/05/427812205.db2.gz ITXSRVBZUULKRN-UHFFFAOYSA-N 1 1 303.318 2.659 20 5 DFBDMO Cc1ccc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301832445 427828018 /nfs/dbraw/zinc/82/80/18/427828018.db2.gz UBOXWUVBLHOGQT-AWEZNQCLSA-N 1 1 319.405 2.593 20 5 DFBDMO COc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000301914102 427840657 /nfs/dbraw/zinc/84/06/57/427840657.db2.gz FLQAJIYUKHUUMM-ZWNOBZJWSA-N 1 1 311.357 2.883 20 5 DFBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000337372786 427869343 /nfs/dbraw/zinc/86/93/43/427869343.db2.gz PLXIVYVUHRYBDQ-QWHCGFSZSA-N 1 1 320.393 2.979 20 5 DFBDMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000302791722 427870846 /nfs/dbraw/zinc/87/08/46/427870846.db2.gz YQLAAPUSHAPIID-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO COCC[N@H+]1CC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302786111 427871751 /nfs/dbraw/zinc/87/17/51/427871751.db2.gz VUPFXAUFAGSHDA-NSHDSACASA-N 1 1 313.785 2.628 20 5 DFBDMO C[C@H]1C[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000345769770 427897216 /nfs/dbraw/zinc/89/72/16/427897216.db2.gz CXXGOKBMHXQDKG-QWHCGFSZSA-N 1 1 319.405 2.676 20 5 DFBDMO CCOCCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000349964719 427909445 /nfs/dbraw/zinc/90/94/45/427909445.db2.gz KUQGMJMMTGMLTN-MRXNPFEDSA-N 1 1 308.378 2.531 20 5 DFBDMO Cc1ccc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341046198 427976075 /nfs/dbraw/zinc/97/60/75/427976075.db2.gz AMKISGBQHBTLGK-OKILXGFUSA-N 1 1 319.405 2.896 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000413195217 427989070 /nfs/dbraw/zinc/98/90/70/427989070.db2.gz CJUDKBUOHRQSQW-NHYWBVRUSA-N 1 1 320.368 2.582 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)[C@H]2C1 ZINC000413226093 427996269 /nfs/dbraw/zinc/99/62/69/427996269.db2.gz CWFWVCCYLWAMST-WBMJQRKESA-N 1 1 312.373 2.673 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341106305 427992232 /nfs/dbraw/zinc/99/22/32/427992232.db2.gz GREOVCSIQGJZNG-ZDUSSCGKSA-N 1 1 322.409 2.687 20 5 DFBDMO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000340909024 427948640 /nfs/dbraw/zinc/94/86/40/427948640.db2.gz ZNJSOUMRBLUPCP-XQQFMLRXSA-N 1 1 307.394 2.939 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000359839869 428039822 /nfs/dbraw/zinc/03/98/22/428039822.db2.gz RCJXSOBBXGYUDX-GFCCVEGCSA-N 1 1 309.414 2.652 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@]2(CCOC2)O1 ZINC000369707418 428041055 /nfs/dbraw/zinc/04/10/55/428041055.db2.gz SNSYUUTXRGQMLV-NVXWUHKLSA-N 1 1 320.389 2.673 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@]2(CCOC2)O1 ZINC000369707418 428041062 /nfs/dbraw/zinc/04/10/62/428041062.db2.gz SNSYUUTXRGQMLV-NVXWUHKLSA-N 1 1 320.389 2.673 20 5 DFBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000359778518 428015081 /nfs/dbraw/zinc/01/50/81/428015081.db2.gz OWSUCBDXIXYYBX-JTQLQIEISA-N 1 1 313.423 2.815 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000369857268 428077496 /nfs/dbraw/zinc/07/74/96/428077496.db2.gz RCBWVPPSYNPXJY-MRXNPFEDSA-N 1 1 318.352 2.631 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000369857268 428077503 /nfs/dbraw/zinc/07/75/03/428077503.db2.gz RCBWVPPSYNPXJY-MRXNPFEDSA-N 1 1 318.352 2.631 20 5 DFBDMO C[C@H](CO)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000351517623 428095704 /nfs/dbraw/zinc/09/57/04/428095704.db2.gz OQPVJOBNHNPDLB-CYBMUJFWSA-N 1 1 308.378 2.599 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000356286968 428106570 /nfs/dbraw/zinc/10/65/70/428106570.db2.gz SQKBRZMAAAAAGN-ABAIWWIYSA-N 1 1 323.368 2.536 20 5 DFBDMO C[C@H]1C[C@H](c2ccsc2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046231 428119228 /nfs/dbraw/zinc/11/92/28/428119228.db2.gz QHYIKHQQYIMRLD-JQWIXIFHSA-N 1 1 306.391 2.768 20 5 DFBDMO C[C@@H]1C[C@@H](c2cccs2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046817 428121034 /nfs/dbraw/zinc/12/10/34/428121034.db2.gz TZUOCQKBEGAZDK-GHMZBOCLSA-N 1 1 306.391 2.768 20 5 DFBDMO Cc1cccc(NCCNc2nc3ccccc3cc2[N+](=O)[O-])[nH+]1 ZINC000352357538 428132741 /nfs/dbraw/zinc/13/27/41/428132741.db2.gz RVIBXNXOTKHQIJ-UHFFFAOYSA-N 1 1 323.356 3.370 20 5 DFBDMO CCC[N@@H+](CC)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362481 428135423 /nfs/dbraw/zinc/13/54/23/428135423.db2.gz VTHZTTJDPZURQM-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352541285 428141694 /nfs/dbraw/zinc/14/16/94/428141694.db2.gz VZJBBJODJSWXPC-ZIAGYGMSSA-N 1 1 306.362 2.604 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000352609533 428167601 /nfs/dbraw/zinc/16/76/01/428167601.db2.gz UMRRLZFSNJYSQP-JSGCOSHPSA-N 1 1 308.353 2.982 20 5 DFBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000352690936 428205827 /nfs/dbraw/zinc/20/58/27/428205827.db2.gz HWVJVGPBPMURLT-UHFFFAOYSA-N 1 1 312.341 2.755 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)c2ncccc12 ZINC000370680570 428273836 /nfs/dbraw/zinc/27/38/36/428273836.db2.gz IQLOFQTVSCUPMO-JTQLQIEISA-N 1 1 309.329 2.836 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)c2ncccc12 ZINC000370680570 428273838 /nfs/dbraw/zinc/27/38/38/428273838.db2.gz IQLOFQTVSCUPMO-JTQLQIEISA-N 1 1 309.329 2.836 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)nc2c1 ZINC000342027868 428281793 /nfs/dbraw/zinc/28/17/93/428281793.db2.gz XUEHFCSSPDZJMP-GJZGRUSLSA-N 1 1 316.361 2.615 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)nc2c1 ZINC000342027868 428281800 /nfs/dbraw/zinc/28/18/00/428281800.db2.gz XUEHFCSSPDZJMP-GJZGRUSLSA-N 1 1 316.361 2.615 20 5 DFBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000352881000 428293333 /nfs/dbraw/zinc/29/33/33/428293333.db2.gz YWRRPASJLZZLJG-CABCVRRESA-N 1 1 322.405 2.989 20 5 DFBDMO COC(=O)[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000346628069 428247037 /nfs/dbraw/zinc/24/70/37/428247037.db2.gz AIBZQCJEAUSTEN-UWVGGRQHSA-N 1 1 312.753 2.632 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000346628069 428247040 /nfs/dbraw/zinc/24/70/40/428247040.db2.gz AIBZQCJEAUSTEN-UWVGGRQHSA-N 1 1 312.753 2.632 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)cc1OC(F)F ZINC000356599082 428249130 /nfs/dbraw/zinc/24/91/30/428249130.db2.gz KIMJXEVZYIMOJJ-JTQLQIEISA-N 1 1 313.304 2.845 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000377889738 428257154 /nfs/dbraw/zinc/25/71/54/428257154.db2.gz QEZBVHWDNVYHMN-UHFFFAOYSA-N 1 1 313.348 2.676 20 5 DFBDMO Cn1ncc2c1CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000414471214 428308981 /nfs/dbraw/zinc/30/89/81/428308981.db2.gz KRVLYGDFMDTANL-QPJJXVBHSA-N 1 1 312.373 2.790 20 5 DFBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@H]3C2)c2ccncc21 ZINC000360466423 428310278 /nfs/dbraw/zinc/31/02/78/428310278.db2.gz LZFWXIFQBDBEAZ-ZDUSSCGKSA-N 1 1 312.373 2.818 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000353020046 428355719 /nfs/dbraw/zinc/35/57/19/428355719.db2.gz NSSJDPXNVAVMKS-OCCSQVGLSA-N 1 1 319.405 2.931 20 5 DFBDMO COC(=O)c1coc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000342224338 428358356 /nfs/dbraw/zinc/35/83/56/428358356.db2.gz CUOVMRFGZSVVQR-UHFFFAOYSA-N 1 1 318.329 2.999 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353024561 428360020 /nfs/dbraw/zinc/36/00/20/428360020.db2.gz PEARUTBFHLFXFO-NSHDSACASA-N 1 1 316.304 2.535 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C3CC3)C2)c2c(c1)COCO2 ZINC000378315474 428362349 /nfs/dbraw/zinc/36/23/49/428362349.db2.gz IZVSPTUJYKSCPA-GFCCVEGCSA-N 1 1 304.346 2.693 20 5 DFBDMO O=[N+]([O-])c1ccccc1CCNc1cc[nH+]cc1Br ZINC000342266014 428376315 /nfs/dbraw/zinc/37/63/15/428376315.db2.gz LXAJMRGKMODEGV-UHFFFAOYSA-N 1 1 322.162 2.829 20 5 DFBDMO C[C@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000342291425 428386964 /nfs/dbraw/zinc/38/69/64/428386964.db2.gz DHVHAUBOBYZFCP-NSHDSACASA-N 1 1 317.389 2.550 20 5 DFBDMO CCCNCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414874900 428441808 /nfs/dbraw/zinc/44/18/08/428441808.db2.gz SZPUVSKPKNZGJD-HOCLYGCPSA-N 1 1 305.422 2.895 20 5 DFBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc2ccccc2o1 ZINC000342757862 428446755 /nfs/dbraw/zinc/44/67/55/428446755.db2.gz RZIGYVMQMSIWON-SNVBAGLBSA-N 1 1 300.318 2.925 20 5 DFBDMO [NH3+]C[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347046562 428422048 /nfs/dbraw/zinc/42/20/48/428422048.db2.gz ORCWZSPFLMMBOX-LBPRGKRZSA-N 1 1 301.346 2.635 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000372933561 428508853 /nfs/dbraw/zinc/50/88/53/428508853.db2.gz ZYULMRRHQHKTKK-HOTGVXAUSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414959099 428473143 /nfs/dbraw/zinc/47/31/43/428473143.db2.gz RTMWVCTVVNKXQP-SFHVURJKSA-N 1 1 311.385 2.880 20 5 DFBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000361467850 428569955 /nfs/dbraw/zinc/56/99/55/428569955.db2.gz DQDPQPFOHZQKQM-MRXNPFEDSA-N 1 1 313.357 2.643 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000344014267 428606007 /nfs/dbraw/zinc/60/60/07/428606007.db2.gz WKRFKCXPCLQVCQ-YPMHNXCESA-N 1 1 303.362 2.654 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347573359 428607117 /nfs/dbraw/zinc/60/71/17/428607117.db2.gz VJRBFZYNVNJUJR-UPJWGTAASA-N 1 1 305.378 2.900 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000408147642 428609001 /nfs/dbraw/zinc/60/90/01/428609001.db2.gz HBXPFWBAWVUOPP-OLZOCXBDSA-N 1 1 320.393 2.768 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000353590402 428610414 /nfs/dbraw/zinc/61/04/14/428610414.db2.gz JABREPJDXQOMHD-JSGCOSHPSA-N 1 1 318.402 2.513 20 5 DFBDMO CN(Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1[N+](=O)[O-] ZINC000347584094 428612290 /nfs/dbraw/zinc/61/22/90/428612290.db2.gz JSEYGZSFCVHTMY-UHFFFAOYSA-N 1 1 320.418 2.745 20 5 DFBDMO CCC(CC)[N@@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344033809 428615124 /nfs/dbraw/zinc/61/51/24/428615124.db2.gz QUADWSVTBKYPTC-UHFFFAOYSA-N 1 1 319.405 2.994 20 5 DFBDMO CO[C@@]1(C)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000373604969 428619298 /nfs/dbraw/zinc/61/92/98/428619298.db2.gz UMISIQGOZOOZAF-INIZCTEOSA-N 1 1 308.378 2.865 20 5 DFBDMO Cc1nn(C)c(NC[C@H]2CCC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000373741263 428644017 /nfs/dbraw/zinc/64/40/17/428644017.db2.gz AMGCUTXUTNWTBS-CQSZACIVSA-N 1 1 321.425 2.846 20 5 DFBDMO COc1ccc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353699280 428664733 /nfs/dbraw/zinc/66/47/33/428664733.db2.gz RHBLFGUMIZSFQZ-DZGCQCFKSA-N 1 1 319.405 2.662 20 5 DFBDMO COc1cc(C[N@H+](C[C@H](C)OC)C(C)C)c([N+](=O)[O-])cc1F ZINC000362328941 428704560 /nfs/dbraw/zinc/70/45/60/428704560.db2.gz XIBTVIMSSRKHGF-NSHDSACASA-N 1 1 314.357 2.988 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC000348314373 428705562 /nfs/dbraw/zinc/70/55/62/428705562.db2.gz BBCHCBIYOYWDEO-UMVBOHGHSA-N 1 1 318.352 2.898 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](F)C[C@@H]3CO)o2)c1 ZINC000344825045 428711151 /nfs/dbraw/zinc/71/11/51/428711151.db2.gz JKIBPZNMRPWQMF-TZMCWYRMSA-N 1 1 320.320 2.760 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H](F)C[C@@H]3CO)o2)c1 ZINC000344825045 428711155 /nfs/dbraw/zinc/71/11/55/428711155.db2.gz JKIBPZNMRPWQMF-TZMCWYRMSA-N 1 1 320.320 2.760 20 5 DFBDMO CO[C@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000353782326 428711354 /nfs/dbraw/zinc/71/13/54/428711354.db2.gz TVRJGQCUAVTGKA-GFCCVEGCSA-N 1 1 324.377 2.707 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000348374870 428724449 /nfs/dbraw/zinc/72/44/49/428724449.db2.gz AMMCLYQPDBLLIK-KCQAQPDRSA-N 1 1 318.352 2.898 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OC)CC1 ZINC000374691359 428732358 /nfs/dbraw/zinc/73/23/58/428732358.db2.gz CSDKENDHCGYLEI-OAHLLOKOSA-N 1 1 308.378 2.994 20 5 DFBDMO CC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411222564 428760974 /nfs/dbraw/zinc/76/09/74/428760974.db2.gz WLOMKYLZFKINEO-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO CCOc1cc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000345170552 428781976 /nfs/dbraw/zinc/78/19/76/428781976.db2.gz ILKVTFDQILJLAK-QWHCGFSZSA-N 1 1 307.394 2.912 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411359619 428782954 /nfs/dbraw/zinc/78/29/54/428782954.db2.gz DWPJDFVUIRYNKC-LLVKDONJSA-N 1 1 309.366 2.662 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000362447652 428749661 /nfs/dbraw/zinc/74/96/61/428749661.db2.gz CQLCCHOERAFLRZ-WMLDXEAASA-N 1 1 320.389 2.865 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccn3)C2)cc1[N+](=O)[O-] ZINC000353985978 428805556 /nfs/dbraw/zinc/80/55/56/428805556.db2.gz FWSNCWMSLWVWJE-OAHLLOKOSA-N 1 1 313.357 2.952 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000353997981 428809144 /nfs/dbraw/zinc/80/91/44/428809144.db2.gz UCDQHVZYGCQIPE-BIENSFFJSA-N 1 1 302.374 2.987 20 5 DFBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354003134 428813969 /nfs/dbraw/zinc/81/39/69/428813969.db2.gz RLGMXEKWJSRXIG-ZDUSSCGKSA-N 1 1 319.405 2.926 20 5 DFBDMO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000411783296 428857786 /nfs/dbraw/zinc/85/77/86/428857786.db2.gz FYYJUJBCGGVIFJ-BXUZGUMPSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000411783296 428857789 /nfs/dbraw/zinc/85/77/89/428857789.db2.gz FYYJUJBCGGVIFJ-BXUZGUMPSA-N 1 1 315.377 2.962 20 5 DFBDMO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000354106113 428866054 /nfs/dbraw/zinc/86/60/54/428866054.db2.gz HHHZYCOCBGEIGY-KRWDZBQOSA-N 1 1 321.421 2.528 20 5 DFBDMO C[C@@H]1CSc2ccccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000375393201 428873528 /nfs/dbraw/zinc/87/35/28/428873528.db2.gz PVBNYDCVXQWAII-GFCCVEGCSA-N 1 1 318.402 2.788 20 5 DFBDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000363187353 428879398 /nfs/dbraw/zinc/87/93/98/428879398.db2.gz LMPXWEYUXGZVAG-AWEZNQCLSA-N 1 1 317.389 2.650 20 5 DFBDMO COc1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000418096015 428879588 /nfs/dbraw/zinc/87/95/88/428879588.db2.gz HQOQRUDBVYADPN-HNNXBMFYSA-N 1 1 314.341 2.965 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000348951393 428885198 /nfs/dbraw/zinc/88/51/98/428885198.db2.gz RPEJBWWYRYXFTF-QGZVFWFLSA-N 1 1 320.389 2.865 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449842 428915315 /nfs/dbraw/zinc/91/53/15/428915315.db2.gz NGDVEMDRPSPMMX-DLBZAZTESA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@H]1[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449842 428915319 /nfs/dbraw/zinc/91/53/19/428915319.db2.gz NGDVEMDRPSPMMX-DLBZAZTESA-N 1 1 319.405 2.532 20 5 DFBDMO CN1CCC[C@H]1[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449842 428915325 /nfs/dbraw/zinc/91/53/25/428915325.db2.gz NGDVEMDRPSPMMX-DLBZAZTESA-N 1 1 319.405 2.532 20 5 DFBDMO C[C@H]1CC(C)(C)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000412035540 428916707 /nfs/dbraw/zinc/91/67/07/428916707.db2.gz FYCXMXMFAUCDRP-LBPRGKRZSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@H]1CC(C)(C)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412040838 428921213 /nfs/dbraw/zinc/92/12/13/428921213.db2.gz KSWAWBCMWLHRDT-LBPRGKRZSA-N 1 1 305.378 2.678 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@@H]1C ZINC000354226169 428925712 /nfs/dbraw/zinc/92/57/12/428925712.db2.gz VCMQEDSYLOEKDB-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261615899 274709078 /nfs/dbraw/zinc/70/90/78/274709078.db2.gz BPGMYHIZKCVWOH-YPMHNXCESA-N 1 1 314.389 2.873 20 5 DFBDMO Cc1c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363580675 428946284 /nfs/dbraw/zinc/94/62/84/428946284.db2.gz APNAKARRKUTMMC-ZDUSSCGKSA-N 1 1 317.389 2.650 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000345585765 428946354 /nfs/dbraw/zinc/94/63/54/428946354.db2.gz UUQUKKFAGLJJFR-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000375784114 428972047 /nfs/dbraw/zinc/97/20/47/428972047.db2.gz BATAJHADICAJSM-INIZCTEOSA-N 1 1 315.377 2.640 20 5 DFBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000363632941 428957943 /nfs/dbraw/zinc/95/79/43/428957943.db2.gz LKPXNZVQGRMOPL-SJORKVTESA-N 1 1 317.389 2.570 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451780469 428972711 /nfs/dbraw/zinc/97/27/11/428972711.db2.gz NGPZJLPWOQZZMJ-AWEZNQCLSA-N 1 1 310.394 2.832 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375766835 428965190 /nfs/dbraw/zinc/96/51/90/428965190.db2.gz YENOVPBRJUELEJ-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375766835 428965196 /nfs/dbraw/zinc/96/51/96/428965196.db2.gz YENOVPBRJUELEJ-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1nc([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375766391 428966223 /nfs/dbraw/zinc/96/62/23/428966223.db2.gz VHILPUFYVKTYBO-AWEZNQCLSA-N 1 1 316.361 2.708 20 5 DFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000354869993 429018044 /nfs/dbraw/zinc/01/80/44/429018044.db2.gz QWYCCUQLOKFLNB-QWRGUYRKSA-N 1 1 302.334 2.875 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000451966808 429027985 /nfs/dbraw/zinc/02/79/85/429027985.db2.gz GEKROFSWXFYJTA-OAHLLOKOSA-N 1 1 322.315 2.907 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000451966808 429027991 /nfs/dbraw/zinc/02/79/91/429027991.db2.gz GEKROFSWXFYJTA-OAHLLOKOSA-N 1 1 322.315 2.907 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000354435476 428984990 /nfs/dbraw/zinc/98/49/90/428984990.db2.gz PGTLWKDGHKXPNX-ZIAGYGMSSA-N 1 1 319.405 2.848 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000433061153 428990339 /nfs/dbraw/zinc/99/03/39/428990339.db2.gz JEUADCPYUWRIFM-OAHLLOKOSA-N 1 1 300.362 2.671 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451869681 429003132 /nfs/dbraw/zinc/00/31/32/429003132.db2.gz SDYWKJJLTWEEOH-CVEARBPZSA-N 1 1 320.389 2.993 20 5 DFBDMO C[C@H]1CCC(C)(C)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452020381 429040743 /nfs/dbraw/zinc/04/07/43/429040743.db2.gz ZITYGSBPBXZWIU-QWHCGFSZSA-N 1 1 308.378 2.597 20 5 DFBDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000452069376 429046991 /nfs/dbraw/zinc/04/69/91/429046991.db2.gz DXLXICPDRIDOJH-GFCCVEGCSA-N 1 1 319.405 2.952 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000362740447 274897936 /nfs/dbraw/zinc/89/79/36/274897936.db2.gz DWSLONCGFHZTIM-GFCCVEGCSA-N 1 1 323.356 2.870 20 5 DFBDMO CCC[N@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000376222723 429078586 /nfs/dbraw/zinc/07/85/86/429078586.db2.gz RAWNRSQHIVYQFP-UHFFFAOYSA-N 1 1 321.406 2.522 20 5 DFBDMO CCOCC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000434633638 429099667 /nfs/dbraw/zinc/09/96/67/429099667.db2.gz KAYOBGXEMNZXLF-INIZCTEOSA-N 1 1 310.394 2.593 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000413028532 429124292 /nfs/dbraw/zinc/12/42/92/429124292.db2.gz PLMSIBRQIDUVJU-ZDUSSCGKSA-N 1 1 320.324 2.971 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363877810 429131069 /nfs/dbraw/zinc/13/10/69/429131069.db2.gz XAAMUSYEXZKEFM-AWEZNQCLSA-N 1 1 314.389 2.701 20 5 DFBDMO Cc1cc(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487200899 429142534 /nfs/dbraw/zinc/14/25/34/429142534.db2.gz PVRSCHMBFKSYJA-HNNXBMFYSA-N 1 1 320.393 2.707 20 5 DFBDMO O=C1[C@@H]([N@H+]2CCC3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000123342756 275027462 /nfs/dbraw/zinc/02/74/62/275027462.db2.gz LKDOPWXJFKJGIR-HNNXBMFYSA-N 1 1 315.373 2.576 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000377723844 275033162 /nfs/dbraw/zinc/03/31/62/275033162.db2.gz NHHYXDYZZAGSCT-IAQYHMDHSA-N 1 1 304.346 2.836 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000377723844 275033163 /nfs/dbraw/zinc/03/31/63/275033163.db2.gz NHHYXDYZZAGSCT-IAQYHMDHSA-N 1 1 304.346 2.836 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(N2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000269676535 275033709 /nfs/dbraw/zinc/03/37/09/275033709.db2.gz YWJOJLSTKFFEBQ-UHFFFAOYSA-N 1 1 308.288 2.980 20 5 DFBDMO O=[N+]([O-])c1ccc(Cn2c[nH+]c3c2CCCC3)c([N+](=O)[O-])c1 ZINC000295356933 275035904 /nfs/dbraw/zinc/03/59/04/275035904.db2.gz RFCKITIGOXIRHX-UHFFFAOYSA-N 1 1 302.290 2.627 20 5 DFBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c(F)c1 ZINC000301378663 275037023 /nfs/dbraw/zinc/03/70/23/275037023.db2.gz XKVQZUDXRGIBKB-CORIIIEPSA-N 1 1 305.353 2.654 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)C1CCCCC1)CC2 ZINC000332585204 275037638 /nfs/dbraw/zinc/03/76/38/275037638.db2.gz HIAJZFZQVVBHMN-KRWDZBQOSA-N 1 1 304.390 2.894 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3cn[nH]c3C1)CCC2 ZINC000365735534 275038045 /nfs/dbraw/zinc/03/80/45/275038045.db2.gz LMGCRYOAOHMAPL-CJNGLKHVSA-N 1 1 312.373 2.842 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCc4[nH+]ccn4C3)n2)c1 ZINC000364263039 275039168 /nfs/dbraw/zinc/03/91/68/275039168.db2.gz BXEPCJUHZHSDDA-LLVKDONJSA-N 1 1 311.301 2.571 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000364345165 429186837 /nfs/dbraw/zinc/18/68/37/429186837.db2.gz MJCHXJKAVUZNRC-GFCCVEGCSA-N 1 1 324.431 2.643 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000364345165 429186840 /nfs/dbraw/zinc/18/68/40/429186840.db2.gz MJCHXJKAVUZNRC-GFCCVEGCSA-N 1 1 324.431 2.643 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000364357595 429188769 /nfs/dbraw/zinc/18/87/69/429188769.db2.gz HPVKSSZWGAYZLD-LBPRGKRZSA-N 1 1 316.336 2.904 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000364357595 429188773 /nfs/dbraw/zinc/18/87/73/429188773.db2.gz HPVKSSZWGAYZLD-LBPRGKRZSA-N 1 1 316.336 2.904 20 5 DFBDMO C[C@@H]1CC2(CCC2)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000364613708 429234404 /nfs/dbraw/zinc/23/44/04/429234404.db2.gz ZXYFTOOYNMATQA-CYBMUJFWSA-N 1 1 317.389 2.822 20 5 DFBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CC1(C)C ZINC000489491910 429247048 /nfs/dbraw/zinc/24/70/48/429247048.db2.gz BZQRZLFHTZVYQH-GFCCVEGCSA-N 1 1 302.334 2.875 20 5 DFBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CC1(C)C ZINC000489491910 429247052 /nfs/dbraw/zinc/24/70/52/429247052.db2.gz BZQRZLFHTZVYQH-GFCCVEGCSA-N 1 1 302.334 2.875 20 5 DFBDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000364682172 429250112 /nfs/dbraw/zinc/25/01/12/429250112.db2.gz NOOAZAUHVFALMM-YVEFUNNKSA-N 1 1 317.389 2.706 20 5 DFBDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000364682170 429250181 /nfs/dbraw/zinc/25/01/81/429250181.db2.gz NOOAZAUHVFALMM-SJCJKPOMSA-N 1 1 317.389 2.706 20 5 DFBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cn1 ZINC000425274112 429256660 /nfs/dbraw/zinc/25/66/60/429256660.db2.gz KQBLQLFOBXBYMQ-DOTOQJQBSA-N 1 1 324.384 2.701 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000364740639 429258735 /nfs/dbraw/zinc/25/87/35/429258735.db2.gz DLORXIAJOLAFQL-OAHLLOKOSA-N 1 1 318.352 2.985 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000364740639 429258739 /nfs/dbraw/zinc/25/87/39/429258739.db2.gz DLORXIAJOLAFQL-OAHLLOKOSA-N 1 1 318.352 2.985 20 5 DFBDMO COc1ccc(CNCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444010844 429262527 /nfs/dbraw/zinc/26/25/27/429262527.db2.gz HRLZGTHBQQBBAE-UHFFFAOYSA-N 1 1 321.421 2.815 20 5 DFBDMO COc1ccc(CNCC[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444010844 429262530 /nfs/dbraw/zinc/26/25/30/429262530.db2.gz HRLZGTHBQQBBAE-UHFFFAOYSA-N 1 1 321.421 2.815 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c2ccncc21 ZINC000489895805 429266736 /nfs/dbraw/zinc/26/67/36/429266736.db2.gz HSZPIQVTKDOBPJ-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC12CCCC2 ZINC000365513862 429332928 /nfs/dbraw/zinc/33/29/28/429332928.db2.gz LPUBJEPKMWJMIM-AWEZNQCLSA-N 1 1 320.389 2.743 20 5 DFBDMO CCc1ccc(C(=O)N2CC[N@H+](CC)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000456384804 429293497 /nfs/dbraw/zinc/29/34/97/429293497.db2.gz QJZAMBIQZGSLES-OAHLLOKOSA-N 1 1 319.405 2.714 20 5 DFBDMO Cc1cc(C2=CC[N@@H+](C[C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1N ZINC000365884093 429395618 /nfs/dbraw/zinc/39/56/18/429395618.db2.gz IFMAIWFFUNYQQN-CYBMUJFWSA-N 1 1 317.389 2.611 20 5 DFBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000449193123 429354287 /nfs/dbraw/zinc/35/42/87/429354287.db2.gz QOJCCCYXFQNJMX-SMDDNHRTSA-N 1 1 300.362 2.916 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CCO)co2)cc1 ZINC000426247728 429375715 /nfs/dbraw/zinc/37/57/15/429375715.db2.gz GLHGDOKPMIOTBR-AWEZNQCLSA-N 1 1 317.345 2.597 20 5 DFBDMO CC(C)c1ccc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449518645 429442798 /nfs/dbraw/zinc/44/27/98/429442798.db2.gz OQHGTAHACIBZHV-WMLDXEAASA-N 1 1 303.406 2.854 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000427486319 429452182 /nfs/dbraw/zinc/45/21/82/429452182.db2.gz ISIGGEWDCDDLHR-CYBMUJFWSA-N 1 1 321.421 2.979 20 5 DFBDMO CN(C)c1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000492087965 429464843 /nfs/dbraw/zinc/46/48/43/429464843.db2.gz SDRBNZMATTYPAX-YVMONPNESA-N 1 1 312.329 2.708 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426765771 429413838 /nfs/dbraw/zinc/41/38/38/429413838.db2.gz SAZJSCYEHDOASP-OKILXGFUSA-N 1 1 317.389 2.964 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000366618325 429488404 /nfs/dbraw/zinc/48/84/04/429488404.db2.gz DTPGBMMLNUDJSN-CJNGLKHVSA-N 1 1 319.405 2.520 20 5 DFBDMO Cn1ccnc1[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000366699408 429495995 /nfs/dbraw/zinc/49/59/95/429495995.db2.gz VLFOJKQGCSYCMG-OAHLLOKOSA-N 1 1 316.361 2.544 20 5 DFBDMO Cn1ccnc1[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000366699408 429495997 /nfs/dbraw/zinc/49/59/97/429495997.db2.gz VLFOJKQGCSYCMG-OAHLLOKOSA-N 1 1 316.361 2.544 20 5 DFBDMO C[NH+]1CCC2(CCCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000366955515 429548015 /nfs/dbraw/zinc/54/80/15/429548015.db2.gz RAWMJERJWJJJBY-UHFFFAOYSA-N 1 1 309.435 2.964 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000429005457 429570997 /nfs/dbraw/zinc/57/09/97/429570997.db2.gz GOOASOKFVLYIQI-OAHLLOKOSA-N 1 1 320.389 2.722 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367071760 429571681 /nfs/dbraw/zinc/57/16/81/429571681.db2.gz CMMPUPMXALEEEZ-QGZVFWFLSA-N 1 1 320.389 2.996 20 5 DFBDMO Cc1ccccc1[C@]1(F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000367105454 429579173 /nfs/dbraw/zinc/57/91/73/429579173.db2.gz FCKMARJZTAJMOP-INIZCTEOSA-N 1 1 318.352 2.670 20 5 DFBDMO Cc1ccccc1[C@]1(F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000367105454 429579176 /nfs/dbraw/zinc/57/91/76/429579176.db2.gz FCKMARJZTAJMOP-INIZCTEOSA-N 1 1 318.352 2.670 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1c1ccco1 ZINC000367122562 429583090 /nfs/dbraw/zinc/58/30/90/429583090.db2.gz CMVKVORMRQAOOV-AWEZNQCLSA-N 1 1 317.345 2.577 20 5 DFBDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000366908109 429538484 /nfs/dbraw/zinc/53/84/84/429538484.db2.gz CCPVVWABSMBRFB-WBMJQRKESA-N 1 1 322.336 2.509 20 5 DFBDMO CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450390627 429616201 /nfs/dbraw/zinc/61/62/01/429616201.db2.gz OYZIGEUKIYJCOI-INIZCTEOSA-N 1 1 312.373 2.701 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429569611 429617593 /nfs/dbraw/zinc/61/75/93/429617593.db2.gz UAZYXMGPRWNMSL-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450399079 429617537 /nfs/dbraw/zinc/61/75/37/429617537.db2.gz BZZLWWLJYNXWKD-GFCCVEGCSA-N 1 1 323.356 2.870 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429573957 429618862 /nfs/dbraw/zinc/61/88/62/429618862.db2.gz ONTKWMBSBBRWOC-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1cc(C[NH2+][C@@H](CO)c2ccsc2)ccc1[N+](=O)[O-] ZINC000492898706 429640404 /nfs/dbraw/zinc/64/04/04/429640404.db2.gz ZPWKMCHIOLMWSQ-ZDUSSCGKSA-N 1 1 322.386 2.878 20 5 DFBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450318295 429597996 /nfs/dbraw/zinc/59/79/96/429597996.db2.gz VPYXUJZUYFUIIW-LBPRGKRZSA-N 1 1 300.362 2.531 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000430218138 429662755 /nfs/dbraw/zinc/66/27/55/429662755.db2.gz LFHMILZAEBNWID-INIZCTEOSA-N 1 1 316.357 2.769 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000430218138 429662758 /nfs/dbraw/zinc/66/27/58/429662758.db2.gz LFHMILZAEBNWID-INIZCTEOSA-N 1 1 316.357 2.769 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430211105 429663239 /nfs/dbraw/zinc/66/32/39/429663239.db2.gz WXSVGGKKBSOWQO-OLZOCXBDSA-N 1 1 307.394 2.518 20 5 DFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242352 429667864 /nfs/dbraw/zinc/66/78/64/429667864.db2.gz SDFOMMLKOPXEEI-INIZCTEOSA-N 1 1 308.378 2.730 20 5 DFBDMO CC1=C[C@@H](C)C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430284645 429674805 /nfs/dbraw/zinc/67/48/05/429674805.db2.gz MUDYFOSTKVAVTB-DGCLKSJQSA-N 1 1 303.362 2.820 20 5 DFBDMO CC1=C[C@@H](C)C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430284645 429674809 /nfs/dbraw/zinc/67/48/09/429674809.db2.gz MUDYFOSTKVAVTB-DGCLKSJQSA-N 1 1 303.362 2.820 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430280750 429671222 /nfs/dbraw/zinc/67/12/22/429671222.db2.gz YBYNRHBUDRDFKD-LLVKDONJSA-N 1 1 303.362 2.740 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430280750 429671228 /nfs/dbraw/zinc/67/12/28/429671228.db2.gz YBYNRHBUDRDFKD-LLVKDONJSA-N 1 1 303.362 2.740 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266555322 276284024 /nfs/dbraw/zinc/28/40/24/276284024.db2.gz VOVVZOBHROUERO-CHWSQXEVSA-N 1 1 321.377 2.866 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266555322 276284026 /nfs/dbraw/zinc/28/40/26/276284026.db2.gz VOVVZOBHROUERO-CHWSQXEVSA-N 1 1 321.377 2.866 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367625176 429688893 /nfs/dbraw/zinc/68/88/93/429688893.db2.gz XDCZQXYRPQYVAC-XHSDSOJGSA-N 1 1 319.405 2.566 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493129836 429695136 /nfs/dbraw/zinc/69/51/36/429695136.db2.gz GCSYAQSAJUOACS-NEPJUHHUSA-N 1 1 309.797 2.917 20 5 DFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@@H]21 ZINC000450782945 429697936 /nfs/dbraw/zinc/69/79/36/429697936.db2.gz ZNOSOZFYPWJXCW-DOMZBBRYSA-N 1 1 319.405 2.912 20 5 DFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H]3Cc4ccccc43)C2)c1 ZINC000367868152 429733077 /nfs/dbraw/zinc/73/30/77/429733077.db2.gz ANSBBSXXXQTXAR-LSDHHAIUSA-N 1 1 312.373 2.768 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000450970018 429741480 /nfs/dbraw/zinc/74/14/80/429741480.db2.gz MUVVZPSGFRXKKI-UHFFFAOYSA-N 1 1 314.345 2.617 20 5 DFBDMO CC1(C)CCC[N@H+]1CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493622676 429798063 /nfs/dbraw/zinc/79/80/63/429798063.db2.gz STVZRQNQOASHHP-TWGQIWQCSA-N 1 1 317.389 2.599 20 5 DFBDMO O=[N+]([O-])c1cccc2c(N[C@@H]3CCn4cc[nH+]c4C3)ccnc21 ZINC000432147911 429804845 /nfs/dbraw/zinc/80/48/45/429804845.db2.gz IXHSUWORQHDOSH-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000432149853 429805260 /nfs/dbraw/zinc/80/52/60/429805260.db2.gz YYSXEICIERYWON-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO COc1ccc(OCC[N@@H+]2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000451116651 429772059 /nfs/dbraw/zinc/77/20/59/429772059.db2.gz SFGDBPXGIYPYLZ-HNNXBMFYSA-N 1 1 312.341 2.806 20 5 DFBDMO COc1ccc(OCC[N@H+]2CCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000451116651 429772061 /nfs/dbraw/zinc/77/20/61/429772061.db2.gz SFGDBPXGIYPYLZ-HNNXBMFYSA-N 1 1 312.341 2.806 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000368066521 429779650 /nfs/dbraw/zinc/77/96/50/429779650.db2.gz YBQIUJINRRLUGN-QGZVFWFLSA-N 1 1 322.405 2.834 20 5 DFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000451548629 429850175 /nfs/dbraw/zinc/85/01/75/429850175.db2.gz VFJNEFGPMDIYKQ-WFASDCNBSA-N 1 1 308.378 2.850 20 5 DFBDMO Cn1cc(CC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000451548437 429850584 /nfs/dbraw/zinc/85/05/84/429850584.db2.gz NFDDHHSALBUAMF-INIZCTEOSA-N 1 1 314.389 2.750 20 5 DFBDMO COC(=O)C1(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451545179 429850674 /nfs/dbraw/zinc/85/06/74/429850674.db2.gz GVZISJKYNXOWRK-AWEZNQCLSA-N 1 1 318.373 2.727 20 5 DFBDMO CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551698 429851069 /nfs/dbraw/zinc/85/10/69/429851069.db2.gz UQFGPAIMGSFPMG-NVXWUHKLSA-N 1 1 322.405 2.560 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000451552818 429852521 /nfs/dbraw/zinc/85/25/21/429852521.db2.gz YZSMNQPBSGBRNO-IUODEOHRSA-N 1 1 308.378 2.850 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451559478 429855575 /nfs/dbraw/zinc/85/55/75/429855575.db2.gz UFSNCTTUSPZKTN-OAHLLOKOSA-N 1 1 308.378 2.850 20 5 DFBDMO CCc1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451569886 429856804 /nfs/dbraw/zinc/85/68/04/429856804.db2.gz OXPJXVPBIKNMGR-CYBMUJFWSA-N 1 1 316.361 2.920 20 5 DFBDMO CCc1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451569886 429856807 /nfs/dbraw/zinc/85/68/07/429856807.db2.gz OXPJXVPBIKNMGR-CYBMUJFWSA-N 1 1 316.361 2.920 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451744417 429882685 /nfs/dbraw/zinc/88/26/85/429882685.db2.gz VXAAWHCURFKBSX-AWEZNQCLSA-N 1 1 307.394 2.520 20 5 DFBDMO COc1cc(C[N@H+]2CCSC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000451658504 429870059 /nfs/dbraw/zinc/87/00/59/429870059.db2.gz XUYSWPQTHNNNSE-AWEZNQCLSA-N 1 1 308.403 2.931 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000573198000 429933491 /nfs/dbraw/zinc/93/34/91/429933491.db2.gz NQVYAJJGPCCJGQ-AWEZNQCLSA-N 1 1 308.403 2.931 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000573198000 429933494 /nfs/dbraw/zinc/93/34/94/429933494.db2.gz NQVYAJJGPCCJGQ-AWEZNQCLSA-N 1 1 308.403 2.931 20 5 DFBDMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000558690211 429986375 /nfs/dbraw/zinc/98/63/75/429986375.db2.gz APMZWOTWIYHOTO-UONOGXRCSA-N 1 1 319.405 2.546 20 5 DFBDMO COc1cc(C[N@H+](C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000539808771 430179322 /nfs/dbraw/zinc/17/93/22/430179322.db2.gz UETZCJHWYVWAJE-UHFFFAOYSA-N 1 1 302.330 2.941 20 5 DFBDMO COc1cc(C[N@@H+](C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000539808771 430179327 /nfs/dbraw/zinc/17/93/27/430179327.db2.gz UETZCJHWYVWAJE-UHFFFAOYSA-N 1 1 302.330 2.941 20 5 DFBDMO C[N@H+]1CCC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000562692150 430167616 /nfs/dbraw/zinc/16/76/16/430167616.db2.gz SVKXZCPINUZIGH-GFCCVEGCSA-N 1 1 300.362 2.897 20 5 DFBDMO CC(C)[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000562721612 430173479 /nfs/dbraw/zinc/17/34/79/430173479.db2.gz FXKXVIDFCRPQKY-UHFFFAOYSA-N 1 1 310.373 2.686 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCO[C@@H]1CCCCO1)C2 ZINC000562748107 430176030 /nfs/dbraw/zinc/17/60/30/430176030.db2.gz SHXMVTBFNUHKPZ-QGZVFWFLSA-N 1 1 320.389 2.886 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562299576 430117776 /nfs/dbraw/zinc/11/77/76/430117776.db2.gz LSAHEGSHFWSIHE-ZIAGYGMSSA-N 1 1 319.405 2.545 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1 ZINC000531382224 430139728 /nfs/dbraw/zinc/13/97/28/430139728.db2.gz XGSVYLGRGKBCQC-UHFFFAOYSA-N 1 1 302.330 2.811 20 5 DFBDMO C[N@H+]1CCCC12CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000364853142 277042598 /nfs/dbraw/zinc/04/25/98/277042598.db2.gz JFNTWBCRKAHBIN-UHFFFAOYSA-N 1 1 310.785 2.708 20 5 DFBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000080941037 277098154 /nfs/dbraw/zinc/09/81/54/277098154.db2.gz FVUSBUJSHBOHQO-UHFFFAOYSA-N 1 1 317.389 2.685 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000295144055 277147780 /nfs/dbraw/zinc/14/77/80/277147780.db2.gz ZYNUKLIUBPVYFO-WBMJQRKESA-N 1 1 312.373 2.673 20 5 DFBDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000581409358 430205987 /nfs/dbraw/zinc/20/59/87/430205987.db2.gz XCIORIISFZUIMX-LLVKDONJSA-N 1 1 315.329 2.627 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000543631762 430254248 /nfs/dbraw/zinc/25/42/48/430254248.db2.gz OQQKAWIQUPYHOQ-UHFFFAOYSA-N 1 1 322.405 2.655 20 5 DFBDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000581645118 430227417 /nfs/dbraw/zinc/22/74/17/430227417.db2.gz YUWDPWOOWPNTLQ-OAHLLOKOSA-N 1 1 317.389 2.650 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000568626041 430376357 /nfs/dbraw/zinc/37/63/57/430376357.db2.gz MOEPZIKNBAEEIG-PBHICJAKSA-N 1 1 320.389 2.865 20 5 DFBDMO CCO[C@H]1C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583973567 430446020 /nfs/dbraw/zinc/44/60/20/430446020.db2.gz SBOBNXDXSLSKKT-KGLIPLIRSA-N 1 1 319.386 2.985 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000584050752 430454843 /nfs/dbraw/zinc/45/48/43/430454843.db2.gz MKOMCEJIBAIJDW-DOMZBBRYSA-N 1 1 306.362 2.691 20 5 DFBDMO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000584050752 430454848 /nfs/dbraw/zinc/45/48/48/430454848.db2.gz MKOMCEJIBAIJDW-DOMZBBRYSA-N 1 1 306.362 2.691 20 5 DFBDMO C[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000571023201 430596000 /nfs/dbraw/zinc/59/60/00/430596000.db2.gz FLSDWIRBDOSDIR-LLVKDONJSA-N 1 1 314.345 2.798 20 5 DFBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000554600019 430645945 /nfs/dbraw/zinc/64/59/45/430645945.db2.gz RMEYXJZRVMFBRH-CQSZACIVSA-N 1 1 323.368 2.680 20 5 DFBDMO CC(C)c1ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000131186836 278035222 /nfs/dbraw/zinc/03/52/22/278035222.db2.gz KCGLYCOECDXTRK-LAJNKCICSA-N 1 1 312.435 2.917 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000131186836 278035223 /nfs/dbraw/zinc/03/52/23/278035223.db2.gz KCGLYCOECDXTRK-LAJNKCICSA-N 1 1 312.435 2.917 20 5 DFBDMO CC(C)c1ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000187839542 278035461 /nfs/dbraw/zinc/03/54/61/278035461.db2.gz KCGLYCOECDXTRK-QKVFXAPYSA-N 1 1 312.435 2.917 20 5 DFBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000187839542 278035462 /nfs/dbraw/zinc/03/54/62/278035462.db2.gz KCGLYCOECDXTRK-QKVFXAPYSA-N 1 1 312.435 2.917 20 5 DFBDMO CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000556511557 430686540 /nfs/dbraw/zinc/68/65/40/430686540.db2.gz XKYRWJLOZBBARN-AWEZNQCLSA-N 1 1 319.405 2.641 20 5 DFBDMO Cc1sccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000556796269 430693130 /nfs/dbraw/zinc/69/31/30/430693130.db2.gz RITZTFLDYCNYKJ-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279706890 278310722 /nfs/dbraw/zinc/31/07/22/278310722.db2.gz HPBXYQRMRFDXHQ-ZIAGYGMSSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279706890 278310724 /nfs/dbraw/zinc/31/07/24/278310724.db2.gz HPBXYQRMRFDXHQ-ZIAGYGMSSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)N1CCC(C)CC1 ZINC000271610533 278379464 /nfs/dbraw/zinc/37/94/64/278379464.db2.gz KKQQZOZOGNVKPL-ZIAGYGMSSA-N 1 1 319.405 2.892 20 5 DFBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174869211 279002891 /nfs/dbraw/zinc/00/28/91/279002891.db2.gz FSWYSGVJTAQAGN-OCCSQVGLSA-N 1 1 318.352 2.808 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000408170837 280398802 /nfs/dbraw/zinc/39/88/02/280398802.db2.gz GHIMUJIIRQSGIU-UHFFFAOYSA-N 1 1 304.394 2.671 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000408172251 280399355 /nfs/dbraw/zinc/39/93/55/280399355.db2.gz UJVVOPTXCXBGHU-ZIAGYGMSSA-N 1 1 304.394 2.527 20 5 DFBDMO 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O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3ncsc3C2)cc1 ZINC000445852651 297269150 /nfs/dbraw/zinc/26/91/50/297269150.db2.gz WAWNBPNIMWDARO-UHFFFAOYSA-N 1 1 319.386 2.879 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3ncsc3C2)cc1 ZINC000445852651 297269152 /nfs/dbraw/zinc/26/91/52/297269152.db2.gz WAWNBPNIMWDARO-UHFFFAOYSA-N 1 1 319.386 2.879 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447667705 297312822 /nfs/dbraw/zinc/31/28/22/297312822.db2.gz AGNFXWBOWAUIAK-GFCCVEGCSA-N 1 1 317.393 2.569 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000454138236 298124992 /nfs/dbraw/zinc/12/49/92/298124992.db2.gz CAXSAWVKQRGSDB-AWEZNQCLSA-N 1 1 320.393 2.851 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000454198621 298134524 /nfs/dbraw/zinc/13/45/24/298134524.db2.gz LYLKJTTVYHNSCR-CYBMUJFWSA-N 1 1 320.393 2.851 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000455158213 298310613 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CCc1[nH+]ccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000514845683 300274633 /nfs/dbraw/zinc/27/46/33/300274633.db2.gz HOVQXVQZEVFWIQ-LLVKDONJSA-N 1 1 319.340 2.729 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000516908246 300367983 /nfs/dbraw/zinc/36/79/83/300367983.db2.gz ZXCRWXMSHXOWSF-JTQLQIEISA-N 1 1 321.406 2.520 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)C1CCCCC1)C2 ZINC000530548281 301055191 /nfs/dbraw/zinc/05/51/91/301055191.db2.gz NGFRPIOFAUKHKD-QGZVFWFLSA-N 1 1 304.390 2.894 20 5 DFBDMO CC(C)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000531528146 301095188 /nfs/dbraw/zinc/09/51/88/301095188.db2.gz WEIKMLHMEVCWRL-GFCCVEGCSA-N 1 1 306.362 2.939 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423672 302071293 /nfs/dbraw/zinc/07/12/93/302071293.db2.gz OGPHRKAZUYWFOE-XJKSGUPXSA-N 1 1 303.406 2.902 20 5 DFBDMO CCCC[N@@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565573603 302230101 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ZINC000489926635 317498541 /nfs/dbraw/zinc/49/85/41/317498541.db2.gz RFKBYPHCQIHSPU-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO Cc1c(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cnn1C ZINC000576663064 318141426 /nfs/dbraw/zinc/14/14/26/318141426.db2.gz DLKBDLZPACIRIG-SOFGYWHQSA-N 1 1 300.362 2.782 20 5 DFBDMO Cc1c(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cnn1C ZINC000576663064 318141427 /nfs/dbraw/zinc/14/14/27/318141427.db2.gz DLKBDLZPACIRIG-SOFGYWHQSA-N 1 1 300.362 2.782 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000578949719 318296554 /nfs/dbraw/zinc/29/65/54/318296554.db2.gz NYVXSFPNWUUEAO-OLZOCXBDSA-N 1 1 300.362 2.879 20 5 DFBDMO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cs1 ZINC000579673195 318345959 /nfs/dbraw/zinc/34/59/59/318345959.db2.gz BIVFCTSLVVDQHJ-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO C[NH+](C)[C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000580034689 318370082 /nfs/dbraw/zinc/37/00/82/318370082.db2.gz XPHAHWMOPQMPIR-DLBZAZTESA-N 1 1 303.406 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304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC23CCOCC3)cc1 ZINC000372458167 527370805 /nfs/dbraw/zinc/37/08/05/527370805.db2.gz NWBHZQPFDHIUAB-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000355354516 535075372 /nfs/dbraw/zinc/07/53/72/535075372.db2.gz LIYSMWBGMRNNLR-HOCLYGCPSA-N 1 1 322.405 2.845 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000361470684 536419474 /nfs/dbraw/zinc/41/94/74/536419474.db2.gz UTASGBSVVINRKF-ZIAGYGMSSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000074684172 185009111 /nfs/dbraw/zinc/00/91/11/185009111.db2.gz NWFIJOOJQCUPDM-GXTWGEPZSA-N 1 1 318.377 2.604 20 5 DFBDMO Cc1cc(N(C)C[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])s1 ZINC000596202279 398356011 /nfs/dbraw/zinc/35/60/11/398356011.db2.gz BPLHXBMAUFUCSH-NSHDSACASA-N 1 1 306.391 2.860 20 5 DFBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596202623 398356102 /nfs/dbraw/zinc/35/61/02/398356102.db2.gz IISZOGYRPOQFGU-JTQLQIEISA-N 1 1 321.768 2.539 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000066124915 398357881 /nfs/dbraw/zinc/35/78/81/398357881.db2.gz CCZUPRXBGMDTDV-NSHDSACASA-N 1 1 318.377 2.536 20 5 DFBDMO C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000596189176 398352412 /nfs/dbraw/zinc/35/24/12/398352412.db2.gz GMOLRLRIZKEHLW-VXGBXAGGSA-N 1 1 320.393 2.760 20 5 DFBDMO CCc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000296835475 529602217 /nfs/dbraw/zinc/60/22/17/529602217.db2.gz DEINBAOMRPZVHR-GOOCMWNKSA-N 1 1 317.389 2.512 20 5 DFBDMO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCOC1 ZINC000083173592 398384727 /nfs/dbraw/zinc/38/47/27/398384727.db2.gz HBVPWXIJYARKQT-LLVKDONJSA-N 1 1 305.334 2.594 20 5 DFBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092733965 185336845 /nfs/dbraw/zinc/33/68/45/185336845.db2.gz QWKPJZSSRUQSAD-HNNXBMFYSA-N 1 1 319.405 2.641 20 5 DFBDMO C[C@H]1CC2(C[N@H+]1CCOc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592181105 398397244 /nfs/dbraw/zinc/39/72/44/398397244.db2.gz CLHXZBLNWWMRAL-AWEZNQCLSA-N 1 1 320.389 2.865 20 5 DFBDMO COc1cc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)ccc1[N+](=O)[O-] ZINC000592182455 398397972 /nfs/dbraw/zinc/39/79/72/398397972.db2.gz AMCATVUACFGQMV-ZDUSSCGKSA-N 1 1 320.389 2.994 20 5 DFBDMO C[C@H](CNc1ccncc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000066808315 398399955 /nfs/dbraw/zinc/39/99/55/398399955.db2.gz PILKROPCZJYHKY-CYBMUJFWSA-N 1 1 312.373 2.849 20 5 DFBDMO CCc1cc(NCc2cc([N+](=O)[O-])ccc2OC)nc(C)[nH+]1 ZINC000272805361 210207347 /nfs/dbraw/zinc/20/73/47/210207347.db2.gz BKPOOMSGGYBZHH-UHFFFAOYSA-N 1 1 302.334 2.876 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596445229 398414290 /nfs/dbraw/zinc/41/42/90/398414290.db2.gz CWBHAEDEMJIPQC-GFCCVEGCSA-N 1 1 306.366 2.589 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255442034 398424761 /nfs/dbraw/zinc/42/47/61/398424761.db2.gz ZPODDAIPWGCOSY-ULJGCTHBSA-N 1 1 301.390 2.777 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596481073 398424843 /nfs/dbraw/zinc/42/48/43/398424843.db2.gz WZYWBBFBJAEPBI-ZDUSSCGKSA-N 1 1 321.425 2.939 20 5 DFBDMO CCc1nn(C)c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596480903 398425216 /nfs/dbraw/zinc/42/52/16/398425216.db2.gz SSVYXUWTZRKNDW-GFCCVEGCSA-N 1 1 321.425 2.710 20 5 DFBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088701553 398439983 /nfs/dbraw/zinc/43/99/83/398439983.db2.gz MXVJONUSYAWXPH-HNNXBMFYSA-N 1 1 320.437 2.589 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc1 ZINC000596514816 398435263 /nfs/dbraw/zinc/43/52/63/398435263.db2.gz INBPKXQIQCYMKS-HZPDHXFCSA-N 1 1 317.389 2.650 20 5 DFBDMO CC(C)(C)OCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000067716220 398452481 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CCN(C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000596821333 398507581 /nfs/dbraw/zinc/50/75/81/398507581.db2.gz SREIRKWQYJMULF-AWEZNQCLSA-N 1 1 320.393 2.851 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC12CCCC2 ZINC000593039918 398528078 /nfs/dbraw/zinc/52/80/78/398528078.db2.gz SAWXIMAAXHBVMV-UHFFFAOYSA-N 1 1 319.361 2.560 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC12CCCC2 ZINC000593039918 398528082 /nfs/dbraw/zinc/52/80/82/398528082.db2.gz SAWXIMAAXHBVMV-UHFFFAOYSA-N 1 1 319.361 2.560 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000596912150 398528724 /nfs/dbraw/zinc/52/87/24/398528724.db2.gz BSADLQGHBXEWBZ-CQSZACIVSA-N 1 1 320.393 2.715 20 5 DFBDMO CC(C)[N@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000068800027 398529630 /nfs/dbraw/zinc/52/96/30/398529630.db2.gz JUTQXBNRDZSYKW-CMDGGOBGSA-N 1 1 317.389 2.551 20 5 DFBDMO COc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000091479999 398532474 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O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091893522 398549203 /nfs/dbraw/zinc/54/92/03/398549203.db2.gz YLOGJGZHXMZZAH-QGZVFWFLSA-N 1 1 316.332 2.826 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091893522 398549205 /nfs/dbraw/zinc/54/92/05/398549205.db2.gz YLOGJGZHXMZZAH-QGZVFWFLSA-N 1 1 316.332 2.826 20 5 DFBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCc2ccc(F)cc21 ZINC000593114862 398549589 /nfs/dbraw/zinc/54/95/89/398549589.db2.gz FAJDIQGFRZVAQB-GFCCVEGCSA-N 1 1 318.352 2.592 20 5 DFBDMO C[C@@H]1C[C@@H]1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272581782 210001857 /nfs/dbraw/zinc/00/18/57/210001857.db2.gz YGVCQKIBEWLRKR-UXIGCNINSA-N 1 1 300.362 2.663 20 5 DFBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2c1 ZINC000321971818 398555368 /nfs/dbraw/zinc/55/53/68/398555368.db2.gz HSOAUKJIKNKWIQ-CABCVRRESA-N 1 1 313.361 2.577 20 5 DFBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@H+]4CCCC[C@H]34)c2c1 ZINC000321971822 398555783 /nfs/dbraw/zinc/55/57/83/398555783.db2.gz HSOAUKJIKNKWIQ-HUUCEWRRSA-N 1 1 313.361 2.577 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000589498423 398557325 /nfs/dbraw/zinc/55/73/25/398557325.db2.gz PAWUFLHDLUNQPK-AWEZNQCLSA-N 1 1 304.346 2.756 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000589498425 398557457 /nfs/dbraw/zinc/55/74/57/398557457.db2.gz PAWUFLHDLUNQPK-CQSZACIVSA-N 1 1 304.346 2.756 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCSC(C)(C)C2)c1 ZINC000589502081 398557761 /nfs/dbraw/zinc/55/77/61/398557761.db2.gz KVTSRDZBWFVYFU-UHFFFAOYSA-N 1 1 324.402 2.709 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCSC(C)(C)C2)c1 ZINC000589502081 398557765 /nfs/dbraw/zinc/55/77/65/398557765.db2.gz KVTSRDZBWFVYFU-UHFFFAOYSA-N 1 1 324.402 2.709 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@H](C)OC)C(C)C)c1 ZINC000589502384 398557284 /nfs/dbraw/zinc/55/72/84/398557284.db2.gz XKBJLMQLJLLRME-LBPRGKRZSA-N 1 1 324.377 2.627 20 5 DFBDMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000322626264 398558667 /nfs/dbraw/zinc/55/86/67/398558667.db2.gz UAEXEXKJCBQIFM-VXGBXAGGSA-N 1 1 313.361 2.577 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000589571733 398560380 /nfs/dbraw/zinc/56/03/80/398560380.db2.gz REIJAPTULSNFGH-GFCCVEGCSA-N 1 1 323.393 2.832 20 5 DFBDMO C[C@H](C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000593189182 398567906 /nfs/dbraw/zinc/56/79/06/398567906.db2.gz JPTXTZBYFOQJTA-RFGFWPKPSA-N 1 1 319.405 2.638 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000279939146 215255689 /nfs/dbraw/zinc/25/56/89/215255689.db2.gz XEWYCLWMIISWTR-GXTWGEPZSA-N 1 1 308.378 2.729 20 5 DFBDMO C[C@@]12COC[C@]1(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000597196014 398587679 /nfs/dbraw/zinc/58/76/79/398587679.db2.gz PMZDXTIHBMOVBA-XKSIXWHQSA-N 1 1 302.374 2.966 20 5 DFBDMO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092623021 398588630 /nfs/dbraw/zinc/58/86/30/398588630.db2.gz YUEVVLNGQFXLGP-SNVBAGLBSA-N 1 1 301.293 2.702 20 5 DFBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000092612756 398587468 /nfs/dbraw/zinc/58/74/68/398587468.db2.gz ZMCHMBGZJNEXET-AWEZNQCLSA-N 1 1 320.437 2.589 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000590053948 398592591 /nfs/dbraw/zinc/59/25/91/398592591.db2.gz YAFFLNHPHZMJMC-AATOQMJSSA-N 1 1 301.390 2.636 20 5 DFBDMO O=[N+]([O-])c1cccc2c(N[C@@H]3CCc4[nH+]ccn4C3)ccnc21 ZINC000590079674 398594635 /nfs/dbraw/zinc/59/46/35/398594635.db2.gz DDUYRGKJTGXPQR-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[N@H+]1C1CC1 ZINC000133651260 186003316 /nfs/dbraw/zinc/00/33/16/186003316.db2.gz MYIGUEADJWXJLQ-NXEZZACHSA-N 1 1 323.780 2.603 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000133646657 186002723 /nfs/dbraw/zinc/00/27/23/186002723.db2.gz ROIBZVNMCGVALA-BBRMVZONSA-N 1 1 319.405 2.662 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000597232766 398598998 /nfs/dbraw/zinc/59/89/98/398598998.db2.gz VWZKBGUOASCQEO-AKXCLDFRSA-N 1 1 302.374 2.966 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](CO)C2)o1 ZINC000092763803 398599695 /nfs/dbraw/zinc/59/96/95/398599695.db2.gz RYFLFTYVEAABME-GFCCVEGCSA-N 1 1 302.330 2.669 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)(C)CO ZINC000590161808 398602421 /nfs/dbraw/zinc/60/24/21/398602421.db2.gz YXOVDCUKCVSKDG-UHFFFAOYSA-N 1 1 306.284 2.816 20 5 DFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593462798 398635979 /nfs/dbraw/zinc/63/59/79/398635979.db2.gz ZMRQTLAXRBUGPB-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000459709113 299169147 /nfs/dbraw/zinc/16/91/47/299169147.db2.gz TUBPOKSDQQHOJX-HNNXBMFYSA-N 1 1 308.378 2.994 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000593468379 398638593 /nfs/dbraw/zinc/63/85/93/398638593.db2.gz FKKKSSAMBQXFNB-YVEFUNNKSA-N 1 1 312.373 2.673 20 5 DFBDMO CC[N@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000593476757 398640092 /nfs/dbraw/zinc/64/00/92/398640092.db2.gz YZNXGLWKHYQBAN-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177893965 186200206 /nfs/dbraw/zinc/20/02/06/186200206.db2.gz UZBVSUJKVLRGBB-DRZSPHRISA-N 1 1 305.378 2.961 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093659881 398642406 /nfs/dbraw/zinc/64/24/06/398642406.db2.gz RCWJIYGVFGQNTQ-AWEZNQCLSA-N 1 1 307.394 2.607 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093659881 398642408 /nfs/dbraw/zinc/64/24/08/398642408.db2.gz RCWJIYGVFGQNTQ-AWEZNQCLSA-N 1 1 307.394 2.607 20 5 DFBDMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072862125 398643139 /nfs/dbraw/zinc/64/31/39/398643139.db2.gz RNVDWULVIYHDPT-SMDDNHRTSA-N 1 1 323.418 2.749 20 5 DFBDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072862125 398643140 /nfs/dbraw/zinc/64/31/40/398643140.db2.gz RNVDWULVIYHDPT-SMDDNHRTSA-N 1 1 323.418 2.749 20 5 DFBDMO CC(C)(C)c1nnc(C[NH2+]CC=Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000459720803 299172491 /nfs/dbraw/zinc/17/24/91/299172491.db2.gz ZJTQTUALHXWTKZ-VURMDHGXSA-N 1 1 315.377 2.813 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000267819802 186366726 /nfs/dbraw/zinc/36/67/26/186366726.db2.gz OLLMFCLHWVKBQW-BETUJISGSA-N 1 1 305.378 2.820 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CC(C)(C)C1 ZINC000459745261 299180574 /nfs/dbraw/zinc/18/05/74/299180574.db2.gz SHTDRITUPGGKDH-UHFFFAOYSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@@H]1C ZINC000172592495 198119966 /nfs/dbraw/zinc/11/99/66/198119966.db2.gz RIKMDSZDTZKJIO-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO COCCCN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173374883 198207128 /nfs/dbraw/zinc/20/71/28/198207128.db2.gz YNLCRFJKBSLELQ-AWEZNQCLSA-N 1 1 321.421 2.746 20 5 DFBDMO C[C@H]([N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC000045769568 398684212 /nfs/dbraw/zinc/68/42/12/398684212.db2.gz XYCXIOUVJNWSSW-LBPRGKRZSA-N 1 1 319.405 2.850 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000597856013 398705371 /nfs/dbraw/zinc/70/53/71/398705371.db2.gz UTSCRVRCDYAFIR-SNVBAGLBSA-N 1 1 311.407 2.507 20 5 DFBDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000174858103 198394070 /nfs/dbraw/zinc/39/40/70/198394070.db2.gz SDDMAEKXWXTLHE-CYBMUJFWSA-N 1 1 321.406 2.566 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC3(C1)CCCC3)OCCO2 ZINC000590966322 398710442 /nfs/dbraw/zinc/71/04/42/398710442.db2.gz OHRHTYHXJPFIMV-UHFFFAOYSA-N 1 1 304.346 2.742 20 5 DFBDMO Cc1c(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cccc1[N+](=O)[O-] ZINC000590970360 398710957 /nfs/dbraw/zinc/71/09/57/398710957.db2.gz ZYYABWORPFFWCP-GDBMZVCRSA-N 1 1 302.374 2.904 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972471 398711434 /nfs/dbraw/zinc/71/14/34/398711434.db2.gz XKPZGNJHLPYIAV-CJNGLKHVSA-N 1 1 320.389 2.993 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972471 398711437 /nfs/dbraw/zinc/71/14/37/398711437.db2.gz XKPZGNJHLPYIAV-CJNGLKHVSA-N 1 1 320.389 2.993 20 5 DFBDMO Cc1sc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597926290 398722747 /nfs/dbraw/zinc/72/27/47/398722747.db2.gz XSMHONCPTUNCTL-SNVBAGLBSA-N 1 1 311.407 2.567 20 5 DFBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000047323267 398744752 /nfs/dbraw/zinc/74/47/52/398744752.db2.gz LNOYVXGYJWBHQX-UHFFFAOYSA-N 1 1 317.349 2.620 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000047405022 398747173 /nfs/dbraw/zinc/74/71/73/398747173.db2.gz BCZQISPCMZIWMB-NSHDSACASA-N 1 1 308.338 2.647 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1 ZINC000591357454 398752324 /nfs/dbraw/zinc/75/23/24/398752324.db2.gz QYISHWLYVYEGGN-SRVKXCTJSA-N 1 1 306.362 2.858 20 5 DFBDMO Cc1cc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000074726752 398762221 /nfs/dbraw/zinc/76/22/21/398762221.db2.gz WNCLIUHNCNGOOT-MRXNPFEDSA-N 1 1 312.373 2.791 20 5 DFBDMO C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000080812285 192193154 /nfs/dbraw/zinc/19/31/54/192193154.db2.gz BYDAJKYSQYYZHD-UHFFFAOYSA-N 1 1 323.418 2.747 20 5 DFBDMO Cc1cccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594199263 398764411 /nfs/dbraw/zinc/76/44/11/398764411.db2.gz ITCYHRGERCJEHL-CABCVRRESA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594204681 398765690 /nfs/dbraw/zinc/76/56/90/398765690.db2.gz WQQGADSYDXSRAK-GOEBONIOSA-N 1 1 317.389 2.650 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000081363228 192257779 /nfs/dbraw/zinc/25/77/79/192257779.db2.gz AHSPGRCBTZIMED-CQSZACIVSA-N 1 1 319.405 2.707 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276922140 213177683 /nfs/dbraw/zinc/17/76/83/213177683.db2.gz PGGXUOMWJVFOHZ-BLLLJJGKSA-N 1 1 308.378 2.850 20 5 DFBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276828448 213119859 /nfs/dbraw/zinc/11/98/59/213119859.db2.gz ARGGHLVQXGLZSX-CQSZACIVSA-N 1 1 308.378 2.852 20 5 DFBDMO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCc2ccccc2C1 ZINC000075607225 398812413 /nfs/dbraw/zinc/81/24/13/398812413.db2.gz UYEZGDJIDIFCBM-ZDUSSCGKSA-N 1 1 312.373 2.849 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000598465279 398817219 /nfs/dbraw/zinc/81/72/19/398817219.db2.gz KWUKYKNTJBAOOP-CYBMUJFWSA-N 1 1 321.421 2.935 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1N[C@H]1CCC[N@H+]3CCCC[C@H]13)CCN2 ZINC000594602512 398829252 /nfs/dbraw/zinc/82/92/52/398829252.db2.gz QUTRQPURBYRLEJ-LSDHHAIUSA-N 1 1 316.405 2.992 20 5 DFBDMO C[N@H+](CCCCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000276692710 213049182 /nfs/dbraw/zinc/04/91/82/213049182.db2.gz SIXXSIYBNWSRIC-UHFFFAOYSA-N 1 1 321.402 2.923 20 5 DFBDMO C[N@@H+](CCCCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000276692710 213049184 /nfs/dbraw/zinc/04/91/84/213049184.db2.gz SIXXSIYBNWSRIC-UHFFFAOYSA-N 1 1 321.402 2.923 20 5 DFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cncc(Cl)c1)CC2 ZINC000598600028 398838967 /nfs/dbraw/zinc/83/89/67/398838967.db2.gz BQOCSUQJJFIDQF-UHFFFAOYSA-N 1 1 304.737 2.597 20 5 DFBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cncc(Cl)c1)CC2 ZINC000598600028 398838970 /nfs/dbraw/zinc/83/89/70/398838970.db2.gz BQOCSUQJJFIDQF-UHFFFAOYSA-N 1 1 304.737 2.597 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cncc(Cl)c3)CC2)n1 ZINC000598613721 398841554 /nfs/dbraw/zinc/84/15/54/398841554.db2.gz LCVDRJOMUHZRNF-UHFFFAOYSA-N 1 1 321.768 2.677 20 5 DFBDMO C[C@@]1(O)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000180184571 199128064 /nfs/dbraw/zinc/12/80/64/199128064.db2.gz DBWRIQQTOGKDKE-OAHLLOKOSA-N 1 1 319.386 2.675 20 5 DFBDMO C[C@@]1(O)CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000180184571 199128066 /nfs/dbraw/zinc/12/80/66/199128066.db2.gz DBWRIQQTOGKDKE-OAHLLOKOSA-N 1 1 319.386 2.675 20 5 DFBDMO CCOC(=O)c1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000467780198 299274479 /nfs/dbraw/zinc/27/44/79/299274479.db2.gz MHDVFXWTTBBTLM-WCQYABFASA-N 1 1 321.377 2.666 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000052689393 398848941 /nfs/dbraw/zinc/84/89/41/398848941.db2.gz MQOHLIYZLKUNFE-INWMFGNUSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000052689393 398848945 /nfs/dbraw/zinc/84/89/45/398848945.db2.gz MQOHLIYZLKUNFE-INWMFGNUSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000052689275 398849260 /nfs/dbraw/zinc/84/92/60/398849260.db2.gz GZWYNMXKZPRXOZ-BPUTZDHNSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000052689275 398849263 /nfs/dbraw/zinc/84/92/63/398849263.db2.gz GZWYNMXKZPRXOZ-BPUTZDHNSA-N 1 1 318.373 2.901 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)Cc1ccccc1)C2 ZINC000153139025 283354362 /nfs/dbraw/zinc/35/43/62/283354362.db2.gz KBPQKDBAUCFYDV-MRXNPFEDSA-N 1 1 312.369 2.557 20 5 DFBDMO Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000180587635 199180499 /nfs/dbraw/zinc/18/04/99/199180499.db2.gz NWJIOUJXZUWNHB-OAHLLOKOSA-N 1 1 320.393 2.707 20 5 DFBDMO Cc1nn(C)c(NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000076795429 398870393 /nfs/dbraw/zinc/87/03/93/398870393.db2.gz UZIDKQWHHLNLHR-LBPRGKRZSA-N 1 1 309.414 2.703 20 5 DFBDMO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594927207 398873529 /nfs/dbraw/zinc/87/35/29/398873529.db2.gz ZMJLMCJRAAXOLZ-UHFFFAOYSA-N 1 1 314.267 2.637 20 5 DFBDMO CC1CCC(O)(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000153377921 283365352 /nfs/dbraw/zinc/36/53/52/283365352.db2.gz WJVFZOVTHOTGEV-UHFFFAOYSA-N 1 1 304.390 2.894 20 5 DFBDMO CCC[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000594992816 398888026 /nfs/dbraw/zinc/88/80/26/398888026.db2.gz YOSPOQZNBDBOLJ-AWEZNQCLSA-N 1 1 307.394 2.567 20 5 DFBDMO CCCN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000594992816 398888027 /nfs/dbraw/zinc/88/80/27/398888027.db2.gz YOSPOQZNBDBOLJ-AWEZNQCLSA-N 1 1 307.394 2.567 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004660 398890026 /nfs/dbraw/zinc/89/00/26/398890026.db2.gz QXAAWBFYBCSFHC-TZMCWYRMSA-N 1 1 307.394 2.738 20 5 DFBDMO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004660 398890027 /nfs/dbraw/zinc/89/00/27/398890027.db2.gz QXAAWBFYBCSFHC-TZMCWYRMSA-N 1 1 307.394 2.738 20 5 DFBDMO C[C@H](O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000595006400 398890052 /nfs/dbraw/zinc/89/00/52/398890052.db2.gz JQCLAOBWIYMMGF-MEDUHNTESA-N 1 1 304.321 2.946 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000595007373 398890079 /nfs/dbraw/zinc/89/00/79/398890079.db2.gz IERHAOOIGROEOB-MLGOLLRUSA-N 1 1 316.357 2.988 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000595006035 398890092 /nfs/dbraw/zinc/89/00/92/398890092.db2.gz FFZYEBBRDATMTO-QWHCGFSZSA-N 1 1 319.405 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCC(C)CC1 ZINC000595006716 398890448 /nfs/dbraw/zinc/89/04/48/398890448.db2.gz IXEPIOVYMOIGQF-CQSZACIVSA-N 1 1 321.421 2.986 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000595013979 398891648 /nfs/dbraw/zinc/89/16/48/398891648.db2.gz SYIABSNYBXUJDM-STQMWFEESA-N 1 1 307.394 2.596 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000595013979 398891653 /nfs/dbraw/zinc/89/16/53/398891653.db2.gz SYIABSNYBXUJDM-STQMWFEESA-N 1 1 307.394 2.596 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000595029876 398894683 /nfs/dbraw/zinc/89/46/83/398894683.db2.gz ZZDHNVOHVYITPP-MNOVXSKESA-N 1 1 304.350 2.749 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000595029875 398894810 /nfs/dbraw/zinc/89/48/10/398894810.db2.gz ZZDHNVOHVYITPP-GHMZBOCLSA-N 1 1 304.350 2.749 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000595030204 398895048 /nfs/dbraw/zinc/89/50/48/398895048.db2.gz YPINTUDLXYIJNA-DVOMOZLQSA-N 1 1 321.421 2.983 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CN(C(C)C)C[C@H]1C ZINC000595030204 398895053 /nfs/dbraw/zinc/89/50/53/398895053.db2.gz YPINTUDLXYIJNA-DVOMOZLQSA-N 1 1 321.421 2.983 20 5 DFBDMO COC(=O)[C@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470176726 299293031 /nfs/dbraw/zinc/29/30/31/299293031.db2.gz 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O=[N+]([O-])c1c(N[C@@H]2CCn3cc[nH+]c3C2)ccc2cnccc21 ZINC000599071130 398916531 /nfs/dbraw/zinc/91/65/31/398916531.db2.gz QUAASTKCGGMVPL-GFCCVEGCSA-N 1 1 309.329 2.766 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000188103900 200194362 /nfs/dbraw/zinc/19/43/62/200194362.db2.gz IHRWVLCUHRQCJQ-OCCSQVGLSA-N 1 1 306.362 2.534 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312273 398920861 /nfs/dbraw/zinc/92/08/61/398920861.db2.gz SEKPEEXAWOXKGS-LSDHHAIUSA-N 1 1 307.369 2.793 20 5 DFBDMO CCc1nn(C)c(NC[C@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599126477 398925383 /nfs/dbraw/zinc/92/53/83/398925383.db2.gz HSJCIKBPGUENMF-CYBMUJFWSA-N 1 1 321.425 2.710 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)nc1 ZINC000595370206 398927951 /nfs/dbraw/zinc/92/79/51/398927951.db2.gz DMWCKJAYEUEEBH-XJFOESAGSA-N 1 1 302.378 2.522 20 5 DFBDMO Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055402036 398929708 /nfs/dbraw/zinc/92/97/08/398929708.db2.gz CZDSNEGVPKHFMA-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000417339832 296011879 /nfs/dbraw/zinc/01/18/79/296011879.db2.gz ONEDOEBZCNFWFI-HIFRSBDPSA-N 1 1 312.373 2.807 20 5 DFBDMO CC(=O)c1[nH]c(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1C ZINC000595413382 398934377 /nfs/dbraw/zinc/93/43/77/398934377.db2.gz AAQFYKMLTGIFON-JTQLQIEISA-N 1 1 316.361 2.722 20 5 DFBDMO Cc1noc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429068 398936553 /nfs/dbraw/zinc/93/65/53/398936553.db2.gz BGYCWKJQXLPLSP-AAEUAGOBSA-N 1 1 322.409 2.634 20 5 DFBDMO CO[C@@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000595425916 398936237 /nfs/dbraw/zinc/93/62/37/398936237.db2.gz VBFRRVFYBHRKAZ-KRWDZBQOSA-N 1 1 319.405 2.943 20 5 DFBDMO CO[C@@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000595425916 398936238 /nfs/dbraw/zinc/93/62/38/398936238.db2.gz VBFRRVFYBHRKAZ-KRWDZBQOSA-N 1 1 319.405 2.943 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000281227785 216168376 /nfs/dbraw/zinc/16/83/76/216168376.db2.gz KTYGJEDEKQBQOY-ZDUSSCGKSA-N 1 1 309.322 2.504 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000281227785 216168379 /nfs/dbraw/zinc/16/83/79/216168379.db2.gz KTYGJEDEKQBQOY-ZDUSSCGKSA-N 1 1 309.322 2.504 20 5 DFBDMO C[N@H+]1CC[C@]2(C1)CCCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507778 398953072 /nfs/dbraw/zinc/95/30/72/398953072.db2.gz QPSXRWLDURWWIE-KRWDZBQOSA-N 1 1 303.406 2.555 20 5 DFBDMO COc1cc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505195 398952413 /nfs/dbraw/zinc/95/24/13/398952413.db2.gz QNQWXHBJXGDPIB-QGZVFWFLSA-N 1 1 319.405 2.521 20 5 DFBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078506558 398961096 /nfs/dbraw/zinc/96/10/96/398961096.db2.gz HPFZHWOQFWZZCE-HNNXBMFYSA-N 1 1 312.373 2.701 20 5 DFBDMO CCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000613380315 398966534 /nfs/dbraw/zinc/96/65/34/398966534.db2.gz DMRPWCLOLJWYBV-GFCCVEGCSA-N 1 1 312.341 2.743 20 5 DFBDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000613380315 398966539 /nfs/dbraw/zinc/96/65/39/398966539.db2.gz DMRPWCLOLJWYBV-GFCCVEGCSA-N 1 1 312.341 2.743 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000078584071 398970177 /nfs/dbraw/zinc/97/01/77/398970177.db2.gz XYRHQXFMGZYPMB-CYBMUJFWSA-N 1 1 314.389 2.921 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000193485824 201060211 /nfs/dbraw/zinc/06/02/11/201060211.db2.gz LYLSSHVEVUGARP-LLVKDONJSA-N 1 1 311.407 2.651 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565204 398975433 /nfs/dbraw/zinc/97/54/33/398975433.db2.gz CQUZFMZUGOULLX-XUJVJEKNSA-N 1 1 303.362 2.796 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565204 398975435 /nfs/dbraw/zinc/97/54/35/398975435.db2.gz CQUZFMZUGOULLX-XUJVJEKNSA-N 1 1 303.362 2.796 20 5 DFBDMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595597606 398991206 /nfs/dbraw/zinc/99/12/06/398991206.db2.gz STIXKORBWJLCHO-CQSZACIVSA-N 1 1 318.348 2.769 20 5 DFBDMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595597606 398991207 /nfs/dbraw/zinc/99/12/07/398991207.db2.gz STIXKORBWJLCHO-CQSZACIVSA-N 1 1 318.348 2.769 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000165857675 398991480 /nfs/dbraw/zinc/99/14/80/398991480.db2.gz GYERIWLFTVFECF-UHFFFAOYSA-N 1 1 317.345 2.957 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595670592 399027633 /nfs/dbraw/zinc/02/76/33/399027633.db2.gz FILGNGDCVINWQT-WFASDCNBSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595670591 399027712 /nfs/dbraw/zinc/02/77/12/399027712.db2.gz FILGNGDCVINWQT-SWLSCSKDSA-N 1 1 308.378 2.586 20 5 DFBDMO CN(C[C@H]1CCn2cc[nH+]c2C1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000618168008 399028937 /nfs/dbraw/zinc/02/89/37/399028937.db2.gz VQISSWOJQOLGTQ-JTQLQIEISA-N 1 1 321.768 2.539 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000618167912 399028998 /nfs/dbraw/zinc/02/89/98/399028998.db2.gz LQFUOVYQBIPWKS-CYBMUJFWSA-N 1 1 300.362 2.799 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595680335 399032475 /nfs/dbraw/zinc/03/24/75/399032475.db2.gz ZMPRKHJDGDCHSY-IUODEOHRSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600315350 399032715 /nfs/dbraw/zinc/03/27/15/399032715.db2.gz SKXNVUHOZSHFAO-CQSZACIVSA-N 1 1 319.405 2.673 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000599673934 399057462 /nfs/dbraw/zinc/05/74/62/399057462.db2.gz WKOYKKSEUYJPHR-OAHLLOKOSA-N 1 1 320.389 2.601 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595729073 399058243 /nfs/dbraw/zinc/05/82/43/399058243.db2.gz PSWJGEFRKJBKDS-XEZPLFJOSA-N 1 1 317.389 2.565 20 5 DFBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600473138 399058822 /nfs/dbraw/zinc/05/88/22/399058822.db2.gz ROJNFMSAFMQLPJ-CQSZACIVSA-N 1 1 317.389 2.650 20 5 DFBDMO COC[C@]1(C)C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599691398 399066369 /nfs/dbraw/zinc/06/63/69/399066369.db2.gz BBTNUBDQXWTSRF-BBRMVZONSA-N 1 1 308.378 2.702 20 5 DFBDMO COC[C@]1(C)C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599691398 399066372 /nfs/dbraw/zinc/06/63/72/399066372.db2.gz BBTNUBDQXWTSRF-BBRMVZONSA-N 1 1 308.378 2.702 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755263 399070187 /nfs/dbraw/zinc/07/01/87/399070187.db2.gz JXFTTXWQEKSDTI-OLZOCXBDSA-N 1 1 323.368 2.993 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CCF)C1 ZINC000595756766 399071931 /nfs/dbraw/zinc/07/19/31/399071931.db2.gz WPTHSMPRSRPVJQ-CHWSQXEVSA-N 1 1 323.368 2.993 20 5 DFBDMO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271704146 296115823 /nfs/dbraw/zinc/11/58/23/296115823.db2.gz HXRHCAMMPMIRHW-CHWSQXEVSA-N 1 1 305.378 2.504 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000595785789 399084778 /nfs/dbraw/zinc/08/47/78/399084778.db2.gz GOWMXIIVEZJJJH-CHWSQXEVSA-N 1 1 309.366 2.672 20 5 DFBDMO Cn1c[nH+]cc1CCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000600569266 399083954 /nfs/dbraw/zinc/08/39/54/399083954.db2.gz NKYBCQNWVMMTOP-UHFFFAOYSA-N 1 1 307.375 2.683 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000305151365 284037132 /nfs/dbraw/zinc/03/71/32/284037132.db2.gz ADUCHSKUFVSTQD-ZIAGYGMSSA-N 1 1 322.405 2.975 20 5 DFBDMO CC[N@@H+]1CCO[C@H](CNc2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000618339767 399087556 /nfs/dbraw/zinc/08/75/56/399087556.db2.gz OPHZALSIHGUFSN-GFCCVEGCSA-N 1 1 313.785 2.689 20 5 DFBDMO CC[N@H+]1CCO[C@H](CNc2c(C)cc([N+](=O)[O-])cc2Cl)C1 ZINC000618339767 399087562 /nfs/dbraw/zinc/08/75/62/399087562.db2.gz OPHZALSIHGUFSN-GFCCVEGCSA-N 1 1 313.785 2.689 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595822155 399099839 /nfs/dbraw/zinc/09/98/39/399099839.db2.gz NVAMHIPBLUCAHW-UHFFFAOYSA-N 1 1 302.374 2.986 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595822155 399099844 /nfs/dbraw/zinc/09/98/44/399099844.db2.gz NVAMHIPBLUCAHW-UHFFFAOYSA-N 1 1 302.374 2.986 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830181 399101967 /nfs/dbraw/zinc/10/19/67/399101967.db2.gz CZCSEPNFIFDGAD-ZIAGYGMSSA-N 1 1 317.389 2.600 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000595832122 399104099 /nfs/dbraw/zinc/10/40/99/399104099.db2.gz BTVOEYSTOPJTFY-UHFFFAOYSA-N 1 1 316.279 2.836 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC3(COC3)C2)c1 ZINC000595832122 399104103 /nfs/dbraw/zinc/10/41/03/399104103.db2.gz BTVOEYSTOPJTFY-UHFFFAOYSA-N 1 1 316.279 2.836 20 5 DFBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1C ZINC000419370469 296137385 /nfs/dbraw/zinc/13/73/85/296137385.db2.gz JPLFIUTYXQQIOR-AGIUHOORSA-N 1 1 305.378 2.900 20 5 DFBDMO CC(C)NC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595850597 399112476 /nfs/dbraw/zinc/11/24/76/399112476.db2.gz MLEFZTMPJIXHQC-ZFWWWQNUSA-N 1 1 319.405 2.892 20 5 DFBDMO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000060207904 399118842 /nfs/dbraw/zinc/11/88/42/399118842.db2.gz GVWVRRZJQNZHIZ-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595872140 399119196 /nfs/dbraw/zinc/11/91/96/399119196.db2.gz CSWRPPKIHBGKTJ-UHFFFAOYSA-N 1 1 309.410 2.813 20 5 DFBDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595872140 399119199 /nfs/dbraw/zinc/11/91/99/399119199.db2.gz CSWRPPKIHBGKTJ-UHFFFAOYSA-N 1 1 309.410 2.813 20 5 DFBDMO CCC[N@H+](C)CC(C)(C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595873676 399119351 /nfs/dbraw/zinc/11/93/51/399119351.db2.gz PTLAOVWAGIAGIU-UHFFFAOYSA-N 1 1 309.410 2.684 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595873676 399119354 /nfs/dbraw/zinc/11/93/54/399119354.db2.gz PTLAOVWAGIAGIU-UHFFFAOYSA-N 1 1 309.410 2.684 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1=CCSC1 ZINC000595889284 399124069 /nfs/dbraw/zinc/12/40/69/399124069.db2.gz UFGDLKHDCAPITN-NSHDSACASA-N 1 1 321.402 2.527 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1=CCSC1 ZINC000595889284 399124075 /nfs/dbraw/zinc/12/40/75/399124075.db2.gz UFGDLKHDCAPITN-NSHDSACASA-N 1 1 321.402 2.527 20 5 DFBDMO O=C(C[NH2+]Cc1csc([N+](=O)[O-])c1)Nc1cccc(F)c1 ZINC000340446191 284184791 /nfs/dbraw/zinc/18/47/91/284184791.db2.gz YAYBORKVBJWTBB-UHFFFAOYSA-N 1 1 309.322 2.524 20 5 DFBDMO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595920408 399136329 /nfs/dbraw/zinc/13/63/29/399136329.db2.gz SCODZRWBLLVPHM-XHDPSFHLSA-N 1 1 314.332 2.882 20 5 DFBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595920408 399136335 /nfs/dbraw/zinc/13/63/35/399136335.db2.gz SCODZRWBLLVPHM-XHDPSFHLSA-N 1 1 314.332 2.882 20 5 DFBDMO CCOc1cc(NC[C@H]2CC[NH2+]CC2(F)F)ccc1[N+](=O)[O-] ZINC000420270694 296167955 /nfs/dbraw/zinc/16/79/55/296167955.db2.gz CITFUVBOKCDLRC-SNVBAGLBSA-N 1 1 315.320 2.650 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000080543691 399157283 /nfs/dbraw/zinc/15/72/83/399157283.db2.gz ZTCQVTCEAWZUED-MRXNPFEDSA-N 1 1 307.394 2.672 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000080542367 399156964 /nfs/dbraw/zinc/15/69/64/399156964.db2.gz SBKVZBIBSLOHAU-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO Cc1cc(NCC[N@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000080599334 399161628 /nfs/dbraw/zinc/16/16/28/399161628.db2.gz CXRKJBDRYOLSIU-UHFFFAOYSA-N 1 1 318.402 2.830 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596077317 399164619 /nfs/dbraw/zinc/16/46/19/399164619.db2.gz SXKLZEVJARGFJE-GFCCVEGCSA-N 1 1 308.382 2.619 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c(OC(F)F)c1 ZINC000596091482 399169643 /nfs/dbraw/zinc/16/96/43/399169643.db2.gz KVQTUDAEHNCTJG-VIFPVBQESA-N 1 1 313.304 2.845 20 5 DFBDMO CC(C)[N@H+]1CCC[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596094807 399170861 /nfs/dbraw/zinc/17/08/61/399170861.db2.gz MISZOLIGZBSFNO-LLVKDONJSA-N 1 1 312.801 2.597 20 5 DFBDMO COc1cc(C[N@H+]2CCCCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000342031882 284311856 /nfs/dbraw/zinc/31/18/56/284311856.db2.gz KZYYRHCWHGJOBQ-AWEZNQCLSA-N 1 1 308.378 2.730 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOCC2(CCCC2)C1 ZINC000614223004 399180018 /nfs/dbraw/zinc/18/00/18/399180018.db2.gz ZSULYWCKLXFCQN-UHFFFAOYSA-N 1 1 320.389 2.866 20 5 DFBDMO CCN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCC[N@H+]1CC ZINC000614236738 399185501 /nfs/dbraw/zinc/18/55/01/399185501.db2.gz LILPSTAQMKETQY-INIZCTEOSA-N 1 1 321.421 2.910 20 5 DFBDMO COc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000596156393 399194694 /nfs/dbraw/zinc/19/46/94/399194694.db2.gz OVCFSSJEJLUNJJ-NWDGAFQWSA-N 1 1 305.378 2.949 20 5 DFBDMO CCCCCCNC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271670615 209112861 /nfs/dbraw/zinc/11/28/61/209112861.db2.gz ASUBPUVHKIDUDP-CYBMUJFWSA-N 1 1 307.394 2.942 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000266256260 205220134 /nfs/dbraw/zinc/22/01/34/205220134.db2.gz OBFNDUGAQBNXJP-IUODEOHRSA-N 1 1 319.405 2.964 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000063782561 399207915 /nfs/dbraw/zinc/20/79/15/399207915.db2.gz DFSLXLFAOROSII-UHFFFAOYSA-N 1 1 318.377 2.536 20 5 DFBDMO CC(C)[N@H+]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000063738930 399205733 /nfs/dbraw/zinc/20/57/33/399205733.db2.gz RQROZLHNJBNAQU-LLVKDONJSA-N 1 1 323.422 2.836 20 5 DFBDMO CC(C)(C)[N@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000063739777 399205837 /nfs/dbraw/zinc/20/58/37/399205837.db2.gz NECLJTDNTSENQZ-UHFFFAOYSA-N 1 1 323.422 2.615 20 5 DFBDMO Cc1ccc(O)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282966583 217356800 /nfs/dbraw/zinc/35/68/00/217356800.db2.gz IHSFQCFTFDFVOP-UHFFFAOYSA-N 1 1 301.346 2.678 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283104878 217438924 /nfs/dbraw/zinc/43/89/24/217438924.db2.gz MAZNUJGLFNVUTR-KGLIPLIRSA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1ccncc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000342821072 284420996 /nfs/dbraw/zinc/42/09/96/284420996.db2.gz LOGRSXLOSWKQPL-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO CC(C)[N@@H+](C)CC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105422 399227914 /nfs/dbraw/zinc/22/79/14/399227914.db2.gz GJVOQUDXSWPZDU-UHFFFAOYSA-N 1 1 310.373 2.686 20 5 DFBDMO COC(=O)CC[N@H+](Cc1csc([N+](=O)[O-])c1)CC(C)C ZINC000064558828 399228251 /nfs/dbraw/zinc/22/82/51/399228251.db2.gz HCOHTVOHHWYYDI-UHFFFAOYSA-N 1 1 300.380 2.677 20 5 DFBDMO Cc1nn(C)cc1[C@@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601110489 399230575 /nfs/dbraw/zinc/23/05/75/399230575.db2.gz HBTLUAVVRFNRRI-SNVBAGLBSA-N 1 1 311.345 2.780 20 5 DFBDMO CCn1cc(CN(C)c2cc[nH+]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000601115764 399231879 /nfs/dbraw/zinc/23/18/79/399231879.db2.gz BZPCFBIAFVCWKH-UHFFFAOYSA-N 1 1 311.345 2.996 20 5 DFBDMO CC1(C)[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)[C@H]2CCO[C@@H]21 ZINC000601119542 399232531 /nfs/dbraw/zinc/23/25/31/399232531.db2.gz SXLVADAXOGELBO-LYRGGWFBSA-N 1 1 313.357 2.790 20 5 DFBDMO C[C@@H](C[C@H]1CCOC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601130567 399236208 /nfs/dbraw/zinc/23/62/08/399236208.db2.gz WHNVBYRIOMXLHM-NWDGAFQWSA-N 1 1 301.346 2.792 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c(F)c1 ZINC000267458839 206080811 /nfs/dbraw/zinc/08/08/11/206080811.db2.gz UHYSPTKJHXZZAW-LBPRGKRZSA-N 1 1 304.325 2.837 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456462 206080995 /nfs/dbraw/zinc/08/09/95/206080995.db2.gz PMJJENGUOUJHBW-BLLLJJGKSA-N 1 1 309.385 2.896 20 5 DFBDMO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000022858489 182337675 /nfs/dbraw/zinc/33/76/75/182337675.db2.gz PYLVZIHIAUSTKT-AWEZNQCLSA-N 1 1 317.345 2.529 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000023991481 182371069 /nfs/dbraw/zinc/37/10/69/182371069.db2.gz PGHWEDHOZAUXKZ-XQQFMLRXSA-N 1 1 305.378 2.900 20 5 DFBDMO C[N@H+]1CC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601185204 399250710 /nfs/dbraw/zinc/25/07/10/399250710.db2.gz RCHPNEMHEBIVNA-KGLIPLIRSA-N 1 1 312.373 2.531 20 5 DFBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)C1O ZINC000601194408 399252685 /nfs/dbraw/zinc/25/26/85/399252685.db2.gz HXEYLCHEAWWFIK-QWRGUYRKSA-N 1 1 301.346 2.596 20 5 DFBDMO C[C@H]1C[C@H](CO)CCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601269501 399267236 /nfs/dbraw/zinc/26/72/36/399267236.db2.gz GNDHCQWCDOAFMC-NWDGAFQWSA-N 1 1 301.346 2.740 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F ZINC000601299842 399272699 /nfs/dbraw/zinc/27/26/99/399272699.db2.gz CQWVPTZRHZCQGN-JOAULVNJSA-N 1 1 322.283 2.566 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000421362902 296248473 /nfs/dbraw/zinc/24/84/73/296248473.db2.gz OHCLKUOQAVJHMB-QIRDZLTKSA-N 1 1 304.390 2.948 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000601321712 399277739 /nfs/dbraw/zinc/27/77/39/399277739.db2.gz VDZURMYROBICJQ-SMDDNHRTSA-N 1 1 316.361 2.986 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000421551830 296265196 /nfs/dbraw/zinc/26/51/96/296265196.db2.gz JSZPCDQCJWUARF-AWEZNQCLSA-N 1 1 319.405 2.766 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000608866611 399299743 /nfs/dbraw/zinc/29/97/43/399299743.db2.gz DXYHQWHAKZXKHP-UHFFFAOYSA-N 1 1 312.369 2.944 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1C1CC1 ZINC000609133573 399304965 /nfs/dbraw/zinc/30/49/65/399304965.db2.gz JSRRUNXIRMTORT-ZDUSSCGKSA-N 1 1 303.362 2.716 20 5 DFBDMO Cn1cc([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000609144825 399305838 /nfs/dbraw/zinc/30/58/38/399305838.db2.gz GYJRPZOFPCGAQB-LBPRGKRZSA-N 1 1 318.352 2.847 20 5 DFBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000609144825 399305841 /nfs/dbraw/zinc/30/58/41/399305841.db2.gz GYJRPZOFPCGAQB-LBPRGKRZSA-N 1 1 318.352 2.847 20 5 DFBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619178976 399308352 /nfs/dbraw/zinc/30/83/52/399308352.db2.gz BCUZSRRLEITHOV-VXGBXAGGSA-N 1 1 319.361 2.861 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@H]2Cn2cccn2)cccc1[N+](=O)[O-] ZINC000609259664 399310474 /nfs/dbraw/zinc/31/04/74/399310474.db2.gz DQTIMOMVIFLQHZ-HNNXBMFYSA-N 1 1 300.362 2.764 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609258260 399310832 /nfs/dbraw/zinc/31/08/32/399310832.db2.gz PWYHQVMZLGYWQB-OAHLLOKOSA-N 1 1 316.361 2.637 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609258260 399310835 /nfs/dbraw/zinc/31/08/35/399310835.db2.gz PWYHQVMZLGYWQB-OAHLLOKOSA-N 1 1 316.361 2.637 20 5 DFBDMO CCn1cc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000609614141 399326375 /nfs/dbraw/zinc/32/63/75/399326375.db2.gz NAQHJRUTYRIEJR-UHFFFAOYSA-N 1 1 318.377 2.712 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421781054 296275175 /nfs/dbraw/zinc/27/51/75/296275175.db2.gz XJQZGXGRPRJILI-AWEZNQCLSA-N 1 1 319.405 2.625 20 5 DFBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000615468697 399341558 /nfs/dbraw/zinc/34/15/58/399341558.db2.gz CYVAPFAUARTGMW-UHIISALHSA-N 1 1 319.361 2.717 20 5 DFBDMO Cn1cc[nH+]c1CC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000105876614 194154226 /nfs/dbraw/zinc/15/42/26/194154226.db2.gz AVOLYULDWWALGT-UHFFFAOYSA-N 1 1 320.418 2.845 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883597 194156729 /nfs/dbraw/zinc/15/67/29/194156729.db2.gz IEZNIBKTKMOKHA-KGLIPLIRSA-N 1 1 315.377 2.660 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c(F)c1 ZINC000610476550 399370618 /nfs/dbraw/zinc/37/06/18/399370618.db2.gz IOSCRFBDYRKIAH-AWEZNQCLSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c(F)c1 ZINC000610476550 399370621 /nfs/dbraw/zinc/37/06/21/399370621.db2.gz IOSCRFBDYRKIAH-AWEZNQCLSA-N 1 1 304.325 2.768 20 5 DFBDMO Cc1cnn([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000105901382 194164417 /nfs/dbraw/zinc/16/44/17/194164417.db2.gz RYZAGMQNPJQFMJ-QGZVFWFLSA-N 1 1 314.389 2.979 20 5 DFBDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026880 218262322 /nfs/dbraw/zinc/26/23/22/218262322.db2.gz HQAJMSNPIHQSFR-TVQRCGJNSA-N 1 1 301.350 2.628 20 5 DFBDMO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(N)c([N+](=O)[O-])c1 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CCOC(=O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000158081851 197242653 /nfs/dbraw/zinc/24/26/53/197242653.db2.gz FJDOBOFWBJQPCD-UHFFFAOYSA-N 1 1 306.362 2.678 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000602783117 399570617 /nfs/dbraw/zinc/57/06/17/399570617.db2.gz YQQQHKLARPSVPX-BBRMVZONSA-N 1 1 314.389 2.978 20 5 DFBDMO CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157962379 197231388 /nfs/dbraw/zinc/23/13/88/197231388.db2.gz OXNOEWVSFMXSOW-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000602787280 399573243 /nfs/dbraw/zinc/57/32/43/399573243.db2.gz PCHUAVLFTSEEEA-HNNXBMFYSA-N 1 1 315.377 2.640 20 5 DFBDMO Cn1cc(C[NH2+]C2(c3ccc(F)cc3)CCC2)c([N+](=O)[O-])n1 ZINC000602789022 399574168 /nfs/dbraw/zinc/57/41/68/399574168.db2.gz WFFSNPMFMDCIQJ-UHFFFAOYSA-N 1 1 304.325 2.636 20 5 DFBDMO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602797960 399578295 /nfs/dbraw/zinc/57/82/95/399578295.db2.gz DMUMVNIRAZAMAL-LBPRGKRZSA-N 1 1 318.377 2.966 20 5 DFBDMO Cn1cc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000602807146 399583816 /nfs/dbraw/zinc/58/38/16/399583816.db2.gz SLINHEORDSGFGH-UHFFFAOYSA-N 1 1 310.304 2.631 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000602807842 399584066 /nfs/dbraw/zinc/58/40/66/399584066.db2.gz WWTDSXQCAQICII-MRXNPFEDSA-N 1 1 314.389 2.898 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c(F)c1 ZINC000612131296 399589712 /nfs/dbraw/zinc/58/97/12/399589712.db2.gz SMRDDNFGBZSQML-CQSZACIVSA-N 1 1 308.353 2.982 20 5 DFBDMO CSc1ccccc1[C@@H](C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602823797 399590666 /nfs/dbraw/zinc/59/06/66/399590666.db2.gz DNPCJVWEYLTRAN-SNVBAGLBSA-N 1 1 306.391 2.901 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000602846643 399599839 /nfs/dbraw/zinc/59/98/39/399599839.db2.gz PYMMIRZOZLIXBN-LLVKDONJSA-N 1 1 320.315 2.764 20 5 DFBDMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000155019601 197014514 /nfs/dbraw/zinc/01/45/14/197014514.db2.gz COTXDLMIEYOPBY-OCCSQVGLSA-N 1 1 306.362 2.931 20 5 DFBDMO CSC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000602921289 399627737 /nfs/dbraw/zinc/62/77/37/399627737.db2.gz XHMCXJJKFVXYGV-LLVKDONJSA-N 1 1 323.418 2.749 20 5 DFBDMO CCOc1cc(CN2CC[N@@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000617214869 399630951 /nfs/dbraw/zinc/63/09/51/399630951.db2.gz GKLYRUPIXYRECA-ZDUSSCGKSA-N 1 1 307.394 2.520 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289901471 221302684 /nfs/dbraw/zinc/30/26/84/221302684.db2.gz WUPCXJXICLVDFN-AKRJWOFFSA-N 1 1 314.385 2.963 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000602997707 399654311 /nfs/dbraw/zinc/65/43/11/399654311.db2.gz PDRVTSNTSCUJGH-YCPHGPKFSA-N 1 1 320.389 2.729 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC000602997259 399654320 /nfs/dbraw/zinc/65/43/20/399654320.db2.gz GQCRKRHBGZNKSK-BBWFWOEESA-N 1 1 320.389 2.599 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997771 399654560 /nfs/dbraw/zinc/65/45/60/399654560.db2.gz QMPQIPJJCSCKMO-OAGGEKHMSA-N 1 1 320.389 2.729 20 5 DFBDMO COc1cc(C[NH2+][C@@H]2CCCn3nccc32)c([N+](=O)[O-])cc1F ZINC000603030217 399661318 /nfs/dbraw/zinc/66/13/18/399661318.db2.gz SRGWVYBKNBBQKC-GFCCVEGCSA-N 1 1 320.324 2.564 20 5 DFBDMO CC[N@@H+]1[C@H](C)CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000603141487 399692967 /nfs/dbraw/zinc/69/29/67/399692967.db2.gz DJXNXXRYYXEYHT-HZSPNIEDSA-N 1 1 319.405 2.639 20 5 DFBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000612790169 399724277 /nfs/dbraw/zinc/72/42/77/399724277.db2.gz ADMHZKISUMIGRV-BXKDBHETSA-N 1 1 315.320 2.948 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000266256258 285398688 /nfs/dbraw/zinc/39/86/88/285398688.db2.gz OBFNDUGAQBNXJP-DOMZBBRYSA-N 1 1 319.405 2.964 20 5 DFBDMO CC1(C)[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000603399767 399765488 /nfs/dbraw/zinc/76/54/88/399765488.db2.gz VRUHPKSHSMEJJO-CABCVRRESA-N 1 1 323.368 2.645 20 5 DFBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)c1cccc(F)c1[N+](=O)[O-] ZINC000369550047 131133867 /nfs/dbraw/zinc/13/38/67/131133867.db2.gz KICZPAMHLMJCSB-LLVKDONJSA-N 1 1 304.325 2.629 20 5 DFBDMO C[N@@H+]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000604198972 399831108 /nfs/dbraw/zinc/83/11/08/399831108.db2.gz NDEAFJGVWUVRMP-NSHDSACASA-N 1 1 319.386 2.634 20 5 DFBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000604198972 399831112 /nfs/dbraw/zinc/83/11/12/399831112.db2.gz NDEAFJGVWUVRMP-NSHDSACASA-N 1 1 319.386 2.634 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000604554358 399855575 /nfs/dbraw/zinc/85/55/75/399855575.db2.gz QOMKLLLNJHVUQU-CYBMUJFWSA-N 1 1 302.334 2.666 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000072896940 145192554 /nfs/dbraw/zinc/19/25/54/145192554.db2.gz SERXLNWZNRTMSB-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000172863267 145320961 /nfs/dbraw/zinc/32/09/61/145320961.db2.gz WXJFCFSKFXGFEH-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174844365 145392447 /nfs/dbraw/zinc/39/24/47/145392447.db2.gz DMQBEQBGZFEGFJ-HNNXBMFYSA-N 1 1 316.361 2.637 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NCC[NH+]1CCSCC1 ZINC000226230202 146004611 /nfs/dbraw/zinc/00/46/11/146004611.db2.gz HWGFQMWPLUDLEO-UHFFFAOYSA-N 1 1 301.799 2.709 20 5 DFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000251503038 146213358 /nfs/dbraw/zinc/21/33/58/146213358.db2.gz FSVBKJUCJUXUOX-SQHYZVFZSA-N 1 1 312.435 2.615 20 5 DFBDMO N[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000262105002 146334364 /nfs/dbraw/zinc/33/43/64/146334364.db2.gz ZOLMTLVMPDRGMX-ZWKOTPCHSA-N 1 1 311.385 2.564 20 5 DFBDMO N[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000262105002 146334367 /nfs/dbraw/zinc/33/43/67/146334367.db2.gz ZOLMTLVMPDRGMX-ZWKOTPCHSA-N 1 1 311.385 2.564 20 5 DFBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000355252772 147238983 /nfs/dbraw/zinc/23/89/83/147238983.db2.gz DXJWMAYOXBGIRD-UHFFFAOYSA-N 1 1 308.378 2.993 20 5 DFBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000355252772 147238988 /nfs/dbraw/zinc/23/89/88/147238988.db2.gz DXJWMAYOXBGIRD-UHFFFAOYSA-N 1 1 308.378 2.993 20 5 DFBDMO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC(O)C1 ZINC000355362272 147285708 /nfs/dbraw/zinc/28/57/08/147285708.db2.gz JAKFHORSOYXZTD-UHFFFAOYSA-N 1 1 319.386 2.673 20 5 DFBDMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC(O)C1 ZINC000355362272 147285712 /nfs/dbraw/zinc/28/57/12/147285712.db2.gz JAKFHORSOYXZTD-UHFFFAOYSA-N 1 1 319.386 2.673 20 5 DFBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000355588422 147374595 /nfs/dbraw/zinc/37/45/95/147374595.db2.gz WEDNENMASKBJBI-GFCCVEGCSA-N 1 1 324.377 2.623 20 5 DFBDMO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CC(C)C ZINC000355590377 147376344 /nfs/dbraw/zinc/37/63/44/147376344.db2.gz ZPJGDQRVMKJVKL-UHFFFAOYSA-N 1 1 324.377 2.625 20 5 DFBDMO C[C@@H]1CCCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000358415738 148351962 /nfs/dbraw/zinc/35/19/62/148351962.db2.gz UJIWDONTEXDKSQ-HIFRSBDPSA-N 1 1 308.378 2.599 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000358520477 148382037 /nfs/dbraw/zinc/38/20/37/148382037.db2.gz VBBOVVITUJFUFU-UHFFFAOYSA-N 1 1 309.797 2.824 20 5 DFBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000350686297 286074080 /nfs/dbraw/zinc/07/40/80/286074080.db2.gz WBBNFDLVXCDYRP-UHFFFAOYSA-N 1 1 302.378 2.950 20 5 DFBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CCC1 ZINC000361481135 149126822 /nfs/dbraw/zinc/12/68/22/149126822.db2.gz JWCXCOOUHSYFDV-UHFFFAOYSA-N 1 1 317.389 2.606 20 5 DFBDMO CCC[N@@H+](CCc1cccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000362261386 149294860 /nfs/dbraw/zinc/29/48/60/149294860.db2.gz FRNZVGKSPKZHOZ-UHFFFAOYSA-N 1 1 308.407 2.845 20 5 DFBDMO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000362756816 149359593 /nfs/dbraw/zinc/35/95/93/149359593.db2.gz PLYYUOWTHKFKSV-QWRGUYRKSA-N 1 1 323.418 2.529 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000371817971 150100503 /nfs/dbraw/zinc/10/05/03/150100503.db2.gz YISDFBGDATYHOW-CYBMUJFWSA-N 1 1 320.389 2.994 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000372356269 150166486 /nfs/dbraw/zinc/16/64/86/150166486.db2.gz IGRGYMVKPAYNKZ-IAGOWNOFSA-N 1 1 320.389 2.519 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H](OC)CC2)ccc1[N+](=O)[O-] ZINC000372804478 150187048 /nfs/dbraw/zinc/18/70/48/150187048.db2.gz MPCPHBSNFLVWMV-AWEZNQCLSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOc1cccc(N[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000372947275 150206281 /nfs/dbraw/zinc/20/62/81/150206281.db2.gz ADOHXDBRVQBIOM-LLVKDONJSA-N 1 1 302.334 2.617 20 5 DFBDMO CCCCCC[C@@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372998086 150213652 /nfs/dbraw/zinc/21/36/52/150213652.db2.gz OTQHWHQQYIWIAG-GOEBONIOSA-N 1 1 324.425 2.760 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000351619759 286171824 /nfs/dbraw/zinc/17/18/24/286171824.db2.gz LFHRXUMJYPQWSJ-GHMZBOCLSA-N 1 1 324.356 2.680 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000373044542 150221504 /nfs/dbraw/zinc/22/15/04/150221504.db2.gz GIXHITGYELFAOJ-SECBINFHSA-N 1 1 308.288 2.744 20 5 DFBDMO CN(C[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000373047879 150221655 /nfs/dbraw/zinc/22/16/55/150221655.db2.gz SWSBNHRDACMFHQ-LLVKDONJSA-N 1 1 304.325 2.629 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000373767842 150255244 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1 1 306.362 2.536 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280399302 426566839 /nfs/dbraw/zinc/56/68/39/426566839.db2.gz KSECBUFZQYDTDD-WWGRRREGSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000273044239 426582148 /nfs/dbraw/zinc/58/21/48/426582148.db2.gz WORNBWMSUBEMOZ-JTQLQIEISA-N 1 1 323.780 2.628 20 5 DFBDMO Cc1cccc([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000273062636 426586253 /nfs/dbraw/zinc/58/62/53/426586253.db2.gz IAEYXKYFQJRNJE-OAHLLOKOSA-N 1 1 300.362 2.589 20 5 DFBDMO O=C(CC[N@H+]1CCCC2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000186966613 426616635 /nfs/dbraw/zinc/61/66/35/426616635.db2.gz NTCRVVGUJHAEHU-UHFFFAOYSA-N 1 1 303.362 2.799 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272562077 426559174 /nfs/dbraw/zinc/55/91/74/426559174.db2.gz LWKQEKPYFWSOMT-QWHCGFSZSA-N 1 1 308.378 2.585 20 5 DFBDMO CCC(=O)c1ccc(N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000280689506 426634189 /nfs/dbraw/zinc/63/41/89/426634189.db2.gz JFHCECAXXDKUFQ-ZDUSSCGKSA-N 1 1 319.405 2.966 20 5 DFBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000178524090 426648661 /nfs/dbraw/zinc/64/86/61/426648661.db2.gz LISDSYVVSIKOKZ-CQSZACIVSA-N 1 1 320.389 2.801 20 5 DFBDMO CC(C)[N@@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273367778 426651687 /nfs/dbraw/zinc/65/16/87/426651687.db2.gz GJPVRACNOPJPFX-UHFFFAOYSA-N 1 1 312.345 2.586 20 5 DFBDMO COCC[N@H+](Cc1cccnc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289417112 426652439 /nfs/dbraw/zinc/65/24/39/426652439.db2.gz IQPKHNPOLZZKNG-UHFFFAOYSA-N 1 1 315.373 2.947 20 5 DFBDMO COCC[N@@H+](Cc1cccnc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289417112 426652444 /nfs/dbraw/zinc/65/24/44/426652444.db2.gz IQPKHNPOLZZKNG-UHFFFAOYSA-N 1 1 315.373 2.947 20 5 DFBDMO C[N@@H+](CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 ZINC000234273061 426655827 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C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000266125677 426723024 /nfs/dbraw/zinc/72/30/24/426723024.db2.gz PYMUGOWXTRVSMH-OLZOCXBDSA-N 1 1 300.362 2.879 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000266511658 426728254 /nfs/dbraw/zinc/72/82/54/426728254.db2.gz DTIXIHBDZLYJPY-ZIAGYGMSSA-N 1 1 315.377 2.660 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245531072 426748459 /nfs/dbraw/zinc/74/84/59/426748459.db2.gz SYHKHXUWWDXHNZ-OLZOCXBDSA-N 1 1 305.378 2.552 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179132041 426755129 /nfs/dbraw/zinc/75/51/29/426755129.db2.gz XHXFXIUUYCMHCF-NSHDSACASA-N 1 1 312.753 2.776 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179132041 426755134 /nfs/dbraw/zinc/75/51/34/426755134.db2.gz XHXFXIUUYCMHCF-NSHDSACASA-N 1 1 312.753 2.776 20 5 DFBDMO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595591 426802000 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303.362 2.835 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000267298754 426865848 /nfs/dbraw/zinc/86/58/48/426865848.db2.gz UCZVXNOGXONZJD-QWRGUYRKSA-N 1 1 310.785 2.706 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000291067163 426877036 /nfs/dbraw/zinc/87/70/36/426877036.db2.gz YIEGIXOYHUVHNL-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC000275598059 426878590 /nfs/dbraw/zinc/87/85/90/426878590.db2.gz QFQDMFPAXPIOLB-VIFPVBQESA-N 1 1 307.741 2.514 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000180740535 426885428 /nfs/dbraw/zinc/88/54/28/426885428.db2.gz XVJGLQSKEHECCE-QGZVFWFLSA-N 1 1 313.357 2.688 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247543879 426949904 /nfs/dbraw/zinc/94/99/04/426949904.db2.gz RGLQYIKDZKXXSJ-TZMCWYRMSA-N 1 1 300.362 2.879 20 5 DFBDMO COc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000268206721 426951291 /nfs/dbraw/zinc/95/12/91/426951291.db2.gz HGRSLYAQZOOUNZ-ZDUSSCGKSA-N 1 1 307.394 2.993 20 5 DFBDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000283091160 426951464 /nfs/dbraw/zinc/95/14/64/426951464.db2.gz LGZRVKUVOZNCCN-NSHDSACASA-N 1 1 302.334 2.553 20 5 DFBDMO COc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000268216785 426952999 /nfs/dbraw/zinc/95/29/99/426952999.db2.gz RMBPOXPPCDBELI-NSHDSACASA-N 1 1 311.357 2.521 20 5 DFBDMO CN1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000248178079 426986037 /nfs/dbraw/zinc/98/60/37/426986037.db2.gz VYVRQRHPWBHUCT-WMLDXEAASA-N 1 1 317.433 2.847 20 5 DFBDMO COCCO[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000189733416 426935474 /nfs/dbraw/zinc/93/54/74/426935474.db2.gz PKZVRGLIXJOCTM-ZFWWWQNUSA-N 1 1 308.378 2.702 20 5 DFBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000248438463 427001657 /nfs/dbraw/zinc/00/16/57/427001657.db2.gz 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ZINC000283610603 427043511 /nfs/dbraw/zinc/04/35/11/427043511.db2.gz UKKMKDRFHJWNPG-UHFFFAOYSA-N 1 1 302.334 2.773 20 5 DFBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000248813974 427045295 /nfs/dbraw/zinc/04/52/95/427045295.db2.gz IBNXEIDVYSTUGD-DZKIICNBSA-N 1 1 318.373 2.677 20 5 DFBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000248813974 427045297 /nfs/dbraw/zinc/04/52/97/427045297.db2.gz IBNXEIDVYSTUGD-DZKIICNBSA-N 1 1 318.373 2.677 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000291982634 427046294 /nfs/dbraw/zinc/04/62/94/427046294.db2.gz JUQBIZRCTGLJOC-LLVKDONJSA-N 1 1 311.357 2.584 20 5 DFBDMO CCOc1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292046997 427068298 /nfs/dbraw/zinc/06/82/98/427068298.db2.gz BCBUKMRPNFFZFT-KRWDZBQOSA-N 1 1 319.405 2.521 20 5 DFBDMO CC(C)([NH2+]CC(=O)Nc1nccs1)c1ccccc1[N+](=O)[O-] ZINC000292057329 427075526 /nfs/dbraw/zinc/07/55/26/427075526.db2.gz 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CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCC[C@H]1C ZINC000249297488 427104883 /nfs/dbraw/zinc/10/48/83/427104883.db2.gz BMZUVBDONMPGDS-HIFRSBDPSA-N 1 1 307.394 2.657 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000276663567 427114835 /nfs/dbraw/zinc/11/48/35/427114835.db2.gz SBMXHNVZHBRTAE-MLGOLLRUSA-N 1 1 312.373 2.673 20 5 DFBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c[nH]c2ccccc12 ZINC000190454392 427116702 /nfs/dbraw/zinc/11/67/02/427116702.db2.gz CCURAWXGQCVWFU-UHFFFAOYSA-N 1 1 313.361 2.795 20 5 DFBDMO Cc1cccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249750165 427142583 /nfs/dbraw/zinc/14/25/83/427142583.db2.gz QGNGAPLMHJYTQB-OCCSQVGLSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@@H](C)C1 ZINC000171694168 271105492 /nfs/dbraw/zinc/10/54/92/271105492.db2.gz SLIIZRJFCUBSQQ-LBPRGKRZSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@@H](C)C1 ZINC000171694193 271106345 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427347633 /nfs/dbraw/zinc/34/76/33/427347633.db2.gz VEQVSAJGGOWLOQ-DGCLKSJQSA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277878874 427347640 /nfs/dbraw/zinc/34/76/40/427347640.db2.gz VEQVSAJGGOWLOQ-DGCLKSJQSA-N 1 1 318.295 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)cc1 ZINC000183836490 427348137 /nfs/dbraw/zinc/34/81/37/427348137.db2.gz KUTPJTLICHXGEM-UHFFFAOYSA-N 1 1 312.373 2.702 20 5 DFBDMO CCCCN(CC)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338379994 427287763 /nfs/dbraw/zinc/28/77/63/427287763.db2.gz RHUUDOFZHIHYGZ-UHFFFAOYSA-N 1 1 321.421 2.718 20 5 DFBDMO CCCCN(CC)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338379994 427287772 /nfs/dbraw/zinc/28/77/72/427287772.db2.gz RHUUDOFZHIHYGZ-UHFFFAOYSA-N 1 1 321.421 2.718 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)C[C@@H]1C ZINC000330666392 427288547 /nfs/dbraw/zinc/28/85/47/427288547.db2.gz IDGFMHLYQANVDX-ZDUSSCGKSA-N 1 1 307.394 2.518 20 5 DFBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000277706074 427290286 /nfs/dbraw/zinc/29/02/86/427290286.db2.gz HZVYFFZCYWRQFM-INIZCTEOSA-N 1 1 308.378 2.730 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277919268 427359456 /nfs/dbraw/zinc/35/94/56/427359456.db2.gz MZHPWHNFPCSTJX-OAHLLOKOSA-N 1 1 317.389 2.650 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000271004660 427369347 /nfs/dbraw/zinc/36/93/47/427369347.db2.gz KWGFWYKVXVBNER-IRXDYDNUSA-N 1 1 313.357 2.860 20 5 DFBDMO COc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000277952314 427369416 /nfs/dbraw/zinc/36/94/16/427369416.db2.gz IQQLCBOHVFGIMT-CYBMUJFWSA-N 1 1 323.393 2.516 20 5 DFBDMO CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286234519 427465080 /nfs/dbraw/zinc/46/50/80/427465080.db2.gz CVSPLCUAIXZTCQ-QYJAPNMZSA-N 1 1 315.377 2.533 20 5 DFBDMO C[C@H]1C[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000293855484 427466249 /nfs/dbraw/zinc/46/62/49/427466249.db2.gz CXXGOKBMHXQDKG-STQMWFEESA-N 1 1 319.405 2.676 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000338745972 427467410 /nfs/dbraw/zinc/46/74/10/427467410.db2.gz PBICTVOUYSFBQQ-QGZVFWFLSA-N 1 1 317.389 2.720 20 5 DFBDMO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413018 427437524 /nfs/dbraw/zinc/43/75/24/427437524.db2.gz FODZQEXJDIPWCV-HUUCEWRRSA-N 1 1 321.421 2.746 20 5 DFBDMO C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278413018 427437527 /nfs/dbraw/zinc/43/75/27/427437527.db2.gz FODZQEXJDIPWCV-HUUCEWRRSA-N 1 1 321.421 2.746 20 5 DFBDMO C[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000278455013 427438736 /nfs/dbraw/zinc/43/87/36/427438736.db2.gz SBODEIDHIWWIKK-MRVPVSSYSA-N 1 1 318.299 2.903 20 5 DFBDMO Nc1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000286323715 427492997 /nfs/dbraw/zinc/49/29/97/427492997.db2.gz UXGRWRBPLWWYAF-IUODEOHRSA-N 1 1 316.405 2.630 20 5 DFBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@H+]3CCCC[C@H]23)s1 ZINC000286343400 427500073 /nfs/dbraw/zinc/50/00/73/427500073.db2.gz KKHWUOSRPDYINF-WDEREUQCSA-N 1 1 319.390 2.638 20 5 DFBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000192189842 427502762 /nfs/dbraw/zinc/50/27/62/427502762.db2.gz OJCMLYYXXSRRFS-LBPRGKRZSA-N 1 1 323.418 2.751 20 5 DFBDMO CC[N@@H+](CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000338829279 427509381 /nfs/dbraw/zinc/50/93/81/427509381.db2.gz PVVOYNSAKBEUKG-CYBMUJFWSA-N 1 1 322.409 2.685 20 5 DFBDMO CCc1nc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000184749207 427533033 /nfs/dbraw/zinc/53/30/33/427533033.db2.gz DMKVTZCMSUBQDM-YGRLFVJLSA-N 1 1 321.402 2.998 20 5 DFBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000286478747 427537521 /nfs/dbraw/zinc/53/75/21/427537521.db2.gz WJDXIXYSBPVILF-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287177802 427555747 /nfs/dbraw/zinc/55/57/47/427555747.db2.gz CHUTXIOMTWPBJM-KGLIPLIRSA-N 1 1 317.389 2.600 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192451591 427541968 /nfs/dbraw/zinc/54/19/68/427541968.db2.gz AMHRTLWPZMHZQO-JTQLQIEISA-N 1 1 307.379 2.652 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000332222203 427551304 /nfs/dbraw/zinc/55/13/04/427551304.db2.gz AUAMIMDCPDHDLY-UONOGXRCSA-N 1 1 323.780 2.605 20 5 DFBDMO CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000279258018 427617470 /nfs/dbraw/zinc/61/74/70/427617470.db2.gz URWXLOJVBZGOIW-DUVNUKRYSA-N 1 1 319.405 2.892 20 5 DFBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000332247599 427557521 /nfs/dbraw/zinc/55/75/21/427557521.db2.gz BOOTVTGMJUNYAI-CYBMUJFWSA-N 1 1 318.352 2.847 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332290756 427570540 /nfs/dbraw/zinc/57/05/40/427570540.db2.gz JIZYLFLQKZNXJB-WCQYABFASA-N 1 1 301.350 2.654 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294217495 427588125 /nfs/dbraw/zinc/58/81/25/427588125.db2.gz MTOHYHXQQXKHDM-BETUJISGSA-N 1 1 320.393 2.768 20 5 DFBDMO Cc1c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000298485350 427626937 /nfs/dbraw/zinc/62/69/37/427626937.db2.gz GYMVGEVCNOEOST-CHWSQXEVSA-N 1 1 319.405 2.753 20 5 DFBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+]1CCC[C@@H](C)C1 ZINC000298494260 427630493 /nfs/dbraw/zinc/63/04/93/427630493.db2.gz LHARXVJHGIXTNT-GHMZBOCLSA-N 1 1 311.407 2.507 20 5 DFBDMO C[C@@H]1C[N@@H+](CCCNc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000287539274 427630923 /nfs/dbraw/zinc/63/09/23/427630923.db2.gz BLXQTCMEXOUXMI-GFCCVEGCSA-N 1 1 311.357 2.647 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000264031115 427637321 /nfs/dbraw/zinc/63/73/21/427637321.db2.gz PLWMBCJVXZQQPI-INIZCTEOSA-N 1 1 316.357 2.769 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000264031115 427637328 /nfs/dbraw/zinc/63/73/28/427637328.db2.gz PLWMBCJVXZQQPI-INIZCTEOSA-N 1 1 316.357 2.769 20 5 DFBDMO COc1ccc(C[N@@H+](C)[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000264049247 427644519 /nfs/dbraw/zinc/64/45/19/427644519.db2.gz UTOMLRSYUZMWIQ-INIZCTEOSA-N 1 1 316.357 2.769 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342907184 272066047 /nfs/dbraw/zinc/06/60/47/272066047.db2.gz NVVVTBAQNMFRDD-LLVKDONJSA-N 1 1 318.377 2.536 20 5 DFBDMO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)cn1 ZINC000287692205 427670321 /nfs/dbraw/zinc/67/03/21/427670321.db2.gz NFECKQKVRUEJTK-JTQLQIEISA-N 1 1 305.309 2.988 20 5 DFBDMO C[C@@H](C[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-])c1nccs1 ZINC000339082818 427667255 /nfs/dbraw/zinc/66/72/55/427667255.db2.gz IKOINQUAHDEOMR-JTQLQIEISA-N 1 1 307.375 2.992 20 5 DFBDMO C[C@@H](CN(C)Cc1cc([O-])ccc1[N+](=O)[O-])c1nccs1 ZINC000339082818 427667260 /nfs/dbraw/zinc/66/72/60/427667260.db2.gz IKOINQUAHDEOMR-JTQLQIEISA-N 1 1 307.375 2.992 20 5 DFBDMO C[C@@H]1CCCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343529684 272165396 /nfs/dbraw/zinc/16/53/96/272165396.db2.gz ASASMVYUYPKCOT-ZIAGYGMSSA-N 1 1 308.378 2.599 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000343557039 272169767 /nfs/dbraw/zinc/16/97/67/272169767.db2.gz SQWVLAGVVLJHLN-ZDUSSCGKSA-N 1 1 305.378 2.507 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000343558844 272170687 /nfs/dbraw/zinc/17/06/87/272170687.db2.gz CQIDEPSYNQRPQJ-AWEZNQCLSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185619042 427679848 /nfs/dbraw/zinc/67/98/48/427679848.db2.gz AKTZNIRZTRNZQB-IUODEOHRSA-N 1 1 317.389 2.604 20 5 DFBDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000185616511 427680110 /nfs/dbraw/zinc/68/01/10/427680110.db2.gz JPHJTURZQUMBFP-SMDDNHRTSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000343907498 272234991 /nfs/dbraw/zinc/23/49/91/272234991.db2.gz AGSPTVXTRJWFRY-GOEBONIOSA-N 1 1 319.405 2.532 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344011149 272249269 /nfs/dbraw/zinc/24/92/69/272249269.db2.gz SDMYYEQJEGTKLJ-JSGCOSHPSA-N 1 1 317.389 2.962 20 5 DFBDMO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000344081409 272259017 /nfs/dbraw/zinc/25/90/17/272259017.db2.gz ZXKWGUUWTCVSJP-CYBMUJFWSA-N 1 1 319.405 2.926 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)C[C@H]1C ZINC000344137682 272271685 /nfs/dbraw/zinc/27/16/85/272271685.db2.gz WIFZZRRZGHDCBZ-KGLIPLIRSA-N 1 1 322.405 2.975 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CO)C[C@H]1C ZINC000344137682 272271687 /nfs/dbraw/zinc/27/16/87/272271687.db2.gz WIFZZRRZGHDCBZ-KGLIPLIRSA-N 1 1 322.405 2.975 20 5 DFBDMO CC[C@]1(C)CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344228295 272292250 /nfs/dbraw/zinc/29/22/50/272292250.db2.gz GCQZMKCQXWGOOA-MRXNPFEDSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[C@]1(C)CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000344228295 272292253 /nfs/dbraw/zinc/29/22/53/272292253.db2.gz GCQZMKCQXWGOOA-MRXNPFEDSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[C@]1(C)CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000344243478 272295903 /nfs/dbraw/zinc/29/59/03/272295903.db2.gz UXDAALMPHWXIRR-MRXNPFEDSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[C@]1(C)CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000344243478 272295905 /nfs/dbraw/zinc/29/59/05/272295905.db2.gz UXDAALMPHWXIRR-MRXNPFEDSA-N 1 1 305.378 2.964 20 5 DFBDMO Cc1c([C@H](C)[NH2+]Cc2ccnc(N(C)C)n2)cccc1[N+](=O)[O-] ZINC000344289910 272305274 /nfs/dbraw/zinc/30/52/74/272305274.db2.gz LOTFRANKPULVKM-LBPRGKRZSA-N 1 1 315.377 2.610 20 5 DFBDMO CC[NH+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000344415761 272327622 /nfs/dbraw/zinc/32/76/22/272327622.db2.gz DQCPWHIUTRWQJK-UWVGGRQHSA-N 1 1 311.407 2.519 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344682910 272356136 /nfs/dbraw/zinc/35/61/36/272356136.db2.gz OZQANBDDIXOKIZ-OAHLLOKOSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193863594 427721458 /nfs/dbraw/zinc/72/14/58/427721458.db2.gz OLVSANGKIAAOFY-ZDUSSCGKSA-N 1 1 316.361 2.576 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000344910202 272384231 /nfs/dbraw/zinc/38/42/31/272384231.db2.gz FDJNJFJULVZXDY-YPMHNXCESA-N 1 1 306.366 2.507 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000344910198 272384639 /nfs/dbraw/zinc/38/46/39/272384639.db2.gz FDJNJFJULVZXDY-DGCLKSJQSA-N 1 1 306.366 2.507 20 5 DFBDMO Cc1nc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000295097316 427691674 /nfs/dbraw/zinc/69/16/74/427691674.db2.gz SWKVHOHAHSQKMB-LBPRGKRZSA-N 1 1 315.377 2.626 20 5 DFBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000185795592 427708143 /nfs/dbraw/zinc/70/81/43/427708143.db2.gz LIAKZNZTJJQQFP-XSNHNAGMSA-N 1 1 317.389 2.597 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC(CC[NH+](C)C)CC1 ZINC000298853399 427717938 /nfs/dbraw/zinc/71/79/38/427717938.db2.gz NRYHAZZXXPNQKS-UHFFFAOYSA-N 1 1 321.421 2.767 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287937892 427717984 /nfs/dbraw/zinc/71/79/84/427717984.db2.gz RHQNEWKMQUVBQD-KOLCDFICSA-N 1 1 321.406 2.740 20 5 DFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000301069980 427773275 /nfs/dbraw/zinc/77/32/75/427773275.db2.gz FNFVTYGJMRWMFD-MNOVXSKESA-N 1 1 323.422 2.836 20 5 DFBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000334042713 427733115 /nfs/dbraw/zinc/73/31/15/427733115.db2.gz WXIGZJPFZDHZAK-MNOVXSKESA-N 1 1 323.418 2.529 20 5 DFBDMO C[C@@H](F)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000340470194 427857286 /nfs/dbraw/zinc/85/72/86/427857286.db2.gz NHNUGEOJKMDOHZ-RISCZKNCSA-N 1 1 306.341 2.755 20 5 DFBDMO Cc1cc(NCC[N@H+](C)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000301522815 427802834 /nfs/dbraw/zinc/80/28/34/427802834.db2.gz HPNLSOVYLNLBAY-UHFFFAOYSA-N 1 1 318.352 2.981 20 5 DFBDMO COc1ncc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000337170161 427808606 /nfs/dbraw/zinc/80/86/06/427808606.db2.gz CQJZBBQNZDFNRF-LLVKDONJSA-N 1 1 302.334 2.553 20 5 DFBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc([N+](=O)[O-])c(C)n2)cn1 ZINC000301651658 427812262 /nfs/dbraw/zinc/81/22/62/427812262.db2.gz QHCLXKVTUVGLCN-UHFFFAOYSA-N 1 1 324.344 2.799 20 5 DFBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000301658320 427813473 /nfs/dbraw/zinc/81/34/73/427813473.db2.gz BRYSTWOLOQYWCS-CYBMUJFWSA-N 1 1 300.362 2.787 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000339704943 427815986 /nfs/dbraw/zinc/81/59/86/427815986.db2.gz SFCCCVQOMWRXEP-QGZVFWFLSA-N 1 1 322.405 2.834 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000301721085 427819376 /nfs/dbraw/zinc/81/93/76/427819376.db2.gz QFNZMPJWEYCKMF-SMDDNHRTSA-N 1 1 323.368 2.663 20 5 DFBDMO CC(C)[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000339822364 427838666 /nfs/dbraw/zinc/83/86/66/427838666.db2.gz VYQPQVNJTJSEDB-OAHLLOKOSA-N 1 1 318.377 2.718 20 5 DFBDMO CC(C)[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000339822364 427838669 /nfs/dbraw/zinc/83/86/69/427838669.db2.gz VYQPQVNJTJSEDB-OAHLLOKOSA-N 1 1 318.377 2.718 20 5 DFBDMO COc1cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000339826597 427841144 /nfs/dbraw/zinc/84/11/44/427841144.db2.gz NEARWHZZPYCSHT-MRXNPFEDSA-N 1 1 308.378 2.850 20 5 DFBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2sccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301919515 427842799 /nfs/dbraw/zinc/84/27/99/427842799.db2.gz CDERIOSLUCVBFB-PHIMTYICSA-N 1 1 313.423 2.956 20 5 DFBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2sccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301919515 427842802 /nfs/dbraw/zinc/84/28/02/427842802.db2.gz CDERIOSLUCVBFB-PHIMTYICSA-N 1 1 313.423 2.956 20 5 DFBDMO C[C@H](F)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000340461847 427855420 /nfs/dbraw/zinc/85/54/20/427855420.db2.gz MPCUTUJENSCHPK-FZMZJTMJSA-N 1 1 306.341 2.755 20 5 DFBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000355740831 427870214 /nfs/dbraw/zinc/87/02/14/427870214.db2.gz HEGXQVAMXHITOO-UHFFFAOYSA-N 1 1 322.361 2.521 20 5 DFBDMO COC(=O)COc1ccc(C[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000355756208 427876926 /nfs/dbraw/zinc/87/69/26/427876926.db2.gz KYVUSFZWKHTKQP-UHFFFAOYSA-N 1 1 322.361 2.521 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000340560413 427881482 /nfs/dbraw/zinc/88/14/82/427881482.db2.gz LWHIGGFOBLBIGK-NSHDSACASA-N 1 1 313.348 2.647 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302876086 427883991 /nfs/dbraw/zinc/88/39/91/427883991.db2.gz FWMNEXXAENJNBL-CYBMUJFWSA-N 1 1 318.421 2.873 20 5 DFBDMO CCc1ccc([C@H]([NH2+][C@H](C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346480815 272644179 /nfs/dbraw/zinc/64/41/79/272644179.db2.gz GLHRSTIPLDSSMS-BDJLRTHQSA-N 1 1 304.346 2.810 20 5 DFBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000355784247 427893073 /nfs/dbraw/zinc/89/30/73/427893073.db2.gz IOQFNKUMOZEDQD-ORIJERBGSA-N 1 1 322.405 2.701 20 5 DFBDMO C[C@@H]1C[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000345769768 427896669 /nfs/dbraw/zinc/89/66/69/427896669.db2.gz CXXGOKBMHXQDKG-CHWSQXEVSA-N 1 1 319.405 2.676 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000349961368 427907138 /nfs/dbraw/zinc/90/71/38/427907138.db2.gz GPSLRICKTXYKAJ-OLZOCXBDSA-N 1 1 318.295 2.791 20 5 DFBDMO Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000349970113 427911162 /nfs/dbraw/zinc/91/11/62/427911162.db2.gz QDPQPUJXKRDZDG-NSHDSACASA-N 1 1 308.382 2.753 20 5 DFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304094732 427917734 /nfs/dbraw/zinc/91/77/34/427917734.db2.gz DOTGTMDRTYLLAO-ZFWWWQNUSA-N 1 1 308.378 2.729 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000350014780 427922048 /nfs/dbraw/zinc/92/20/48/427922048.db2.gz QLZVJSVLUCMDDV-OAHLLOKOSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000350014780 427922056 /nfs/dbraw/zinc/92/20/56/427922056.db2.gz QLZVJSVLUCMDDV-OAHLLOKOSA-N 1 1 319.405 2.640 20 5 DFBDMO CCC(=O)c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000359651285 427957132 /nfs/dbraw/zinc/95/71/32/427957132.db2.gz QNDRWYOCZHYTNR-LBPRGKRZSA-N 1 1 314.345 2.811 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)[C@@H]2C1 ZINC000413226090 427995201 /nfs/dbraw/zinc/99/52/01/427995201.db2.gz CWFWVCCYLWAMST-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO CN(CC[N@@H+](C)C1CC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413228874 427995289 /nfs/dbraw/zinc/99/52/89/427995289.db2.gz KPZIVGHOCGNEHK-UHFFFAOYSA-N 1 1 318.299 2.539 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413176662 427980804 /nfs/dbraw/zinc/98/08/04/427980804.db2.gz UWPFHPYHTYWBPR-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000413195218 427988494 /nfs/dbraw/zinc/98/84/94/427988494.db2.gz CJUDKBUOHRQSQW-XHDPSFHLSA-N 1 1 320.368 2.582 20 5 DFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413217736 427994067 /nfs/dbraw/zinc/99/40/67/427994067.db2.gz DHSFJQKSHLXSQF-NWDGAFQWSA-N 1 1 300.362 2.672 20 5 DFBDMO COc1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000359616764 427938599 /nfs/dbraw/zinc/93/85/99/427938599.db2.gz KBNNGPKLCWRFKG-CQSZACIVSA-N 1 1 320.320 2.566 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340204624 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2.962 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000369768895 428057175 /nfs/dbraw/zinc/05/71/75/428057175.db2.gz YKBWZAGHDIUZLH-HZPDHXFCSA-N 1 1 319.405 2.662 20 5 DFBDMO CC(C)(C)c1cn2c([nH+]1)CC[C@H](Nc1ccc([N+](=O)[O-])cn1)C2 ZINC000356186902 428060035 /nfs/dbraw/zinc/06/00/35/428060035.db2.gz NEVACKGZIRMTMD-NSHDSACASA-N 1 1 315.377 2.911 20 5 DFBDMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCC[N@H+]1C ZINC000413240336 428000248 /nfs/dbraw/zinc/00/02/48/428000248.db2.gz JPAPIDQIMIKEMK-LDYMZIIASA-N 1 1 318.299 2.903 20 5 DFBDMO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCC[N@H+]1C ZINC000413240323 428001030 /nfs/dbraw/zinc/00/10/30/428001030.db2.gz JPAPIDQIMIKEMK-KCJUWKMLSA-N 1 1 318.299 2.903 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000359909981 428073256 /nfs/dbraw/zinc/07/32/56/428073256.db2.gz ZMWUUBWSXIAIGF-BBRMVZONSA-N 1 1 319.405 2.520 20 5 DFBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000413533312 428073349 /nfs/dbraw/zinc/07/33/49/428073349.db2.gz PMIDKNLRLAYBEH-CQSZACIVSA-N 1 1 312.373 2.701 20 5 DFBDMO CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000413564753 428080861 /nfs/dbraw/zinc/08/08/61/428080861.db2.gz GAMHOWQDTPTUGX-SNVBAGLBSA-N 1 1 301.293 2.702 20 5 DFBDMO CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000413564751 428081097 /nfs/dbraw/zinc/08/10/97/428081097.db2.gz GAMHOWQDTPTUGX-JTQLQIEISA-N 1 1 301.293 2.702 20 5 DFBDMO Cc1ccc(O)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000341553600 428104073 /nfs/dbraw/zinc/10/40/73/428104073.db2.gz ITYOTQIJVXBSLM-UHFFFAOYSA-N 1 1 307.737 2.947 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000370046867 428119930 /nfs/dbraw/zinc/11/99/30/428119930.db2.gz UNGJODPKFWQAQM-CYBMUJFWSA-N 1 1 318.352 2.532 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000370046868 428120816 /nfs/dbraw/zinc/12/08/16/428120816.db2.gz UNGJODPKFWQAQM-ZDUSSCGKSA-N 1 1 318.352 2.532 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC000370082694 428130580 /nfs/dbraw/zinc/13/05/80/428130580.db2.gz OTTNIDQERPUANL-NHYWBVRUSA-N 1 1 309.797 2.774 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352544426 428145890 /nfs/dbraw/zinc/14/58/90/428145890.db2.gz ALVMRMZRQGEFDQ-AWEZNQCLSA-N 1 1 307.394 2.520 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352535058 428139869 /nfs/dbraw/zinc/13/98/69/428139869.db2.gz LWYWHGRFMJJCIN-ZFWWWQNUSA-N 1 1 321.421 2.908 20 5 DFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc2ccccn12 ZINC000352562913 428149070 /nfs/dbraw/zinc/14/90/70/428149070.db2.gz NEBFCAIQXCPXRG-UHFFFAOYSA-N 1 1 310.357 2.917 20 5 DFBDMO Cc1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000377825839 428237917 /nfs/dbraw/zinc/23/79/17/428237917.db2.gz GGVPOHDDNPXLTL-AWEZNQCLSA-N 1 1 300.362 2.626 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000346490661 428194126 /nfs/dbraw/zinc/19/41/26/428194126.db2.gz SZBGCQVAWHZDTP-CHWSQXEVSA-N 1 1 320.393 2.850 20 5 DFBDMO C[C@H]1C[C@H](c2ccsc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000377950024 428269543 /nfs/dbraw/zinc/26/95/43/428269543.db2.gz UQPKRWVOYGIJCL-AAEUAGOBSA-N 1 1 306.391 2.731 20 5 DFBDMO O=[N+]([O-])c1c(N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc2ncccc21 ZINC000370684232 428274312 /nfs/dbraw/zinc/27/43/12/428274312.db2.gz YJLQEHNURMMXBL-SNVBAGLBSA-N 1 1 309.329 2.836 20 5 DFBDMO O=[N+]([O-])c1c(N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc2ncccc21 ZINC000370684232 428274317 /nfs/dbraw/zinc/27/43/17/428274317.db2.gz YJLQEHNURMMXBL-SNVBAGLBSA-N 1 1 309.329 2.836 20 5 DFBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](C)[N@@H+](C)C1CC1 ZINC000342053711 428287583 /nfs/dbraw/zinc/28/75/83/428287583.db2.gz IEHIFMKHXJIIHZ-NSHDSACASA-N 1 1 321.377 2.584 20 5 DFBDMO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352877746 428291921 /nfs/dbraw/zinc/29/19/21/428291921.db2.gz QIIINPFITINFNY-YPMHNXCESA-N 1 1 306.366 2.507 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000352884264 428296239 /nfs/dbraw/zinc/29/62/39/428296239.db2.gz RORDGAXOKUZWJD-CHWSQXEVSA-N 1 1 320.393 2.850 20 5 DFBDMO CS[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000352776978 428243585 /nfs/dbraw/zinc/24/35/85/428243585.db2.gz FINULYWTLLYHEN-UHOFOFEASA-N 1 1 323.462 2.942 20 5 DFBDMO CS[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000352776978 428243591 /nfs/dbraw/zinc/24/35/91/428243591.db2.gz FINULYWTLLYHEN-UHOFOFEASA-N 1 1 323.462 2.942 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000370603361 428249134 /nfs/dbraw/zinc/24/91/34/428249134.db2.gz ULOMIGSBKQUJCM-ZDUSSCGKSA-N 1 1 302.334 2.534 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000370603361 428249138 /nfs/dbraw/zinc/24/91/38/428249138.db2.gz ULOMIGSBKQUJCM-ZDUSSCGKSA-N 1 1 302.334 2.534 20 5 DFBDMO COC(=O)[C@]12C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000342113373 428305315 /nfs/dbraw/zinc/30/53/15/428305315.db2.gz GTYLQEPIKJXWAK-WMLDXEAASA-N 1 1 318.373 2.760 20 5 DFBDMO COC(=O)[C@@]12C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]1CCCC2 ZINC000342149070 428323927 /nfs/dbraw/zinc/32/39/27/428323927.db2.gz HRGDICAJMWPYFN-YOEHRIQHSA-N 1 1 318.373 2.760 20 5 DFBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000356828050 428326490 /nfs/dbraw/zinc/32/64/90/428326490.db2.gz WHBJPDSPZWSWMC-NSHDSACASA-N 1 1 318.377 2.535 20 5 DFBDMO COC(=O)[C@@]12C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000342156910 428328421 /nfs/dbraw/zinc/32/84/21/428328421.db2.gz PVKIVDGHCCVTCH-DOMZBBRYSA-N 1 1 324.402 2.822 20 5 DFBDMO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000353020044 428355943 /nfs/dbraw/zinc/35/59/43/428355943.db2.gz NSSJDPXNVAVMKS-GXTWGEPZSA-N 1 1 319.405 2.931 20 5 DFBDMO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000370990974 428337767 /nfs/dbraw/zinc/33/77/67/428337767.db2.gz HDZQXELDIGARCS-CVEARBPZSA-N 1 1 317.345 2.762 20 5 DFBDMO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000370990974 428337773 /nfs/dbraw/zinc/33/77/73/428337773.db2.gz HDZQXELDIGARCS-CVEARBPZSA-N 1 1 317.345 2.762 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000378265266 428350840 /nfs/dbraw/zinc/35/08/40/428350840.db2.gz FQZHGCNUNOSLDV-GFCCVEGCSA-N 1 1 323.356 2.870 20 5 DFBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000352889396 428299401 /nfs/dbraw/zinc/29/94/01/428299401.db2.gz YLQHKXYHHFZLPP-GJZGRUSLSA-N 1 1 322.405 2.989 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@H](COC(F)F)C2)cccc1[N+](=O)[O-] ZINC000353026844 428359189 /nfs/dbraw/zinc/35/91/89/428359189.db2.gz LPSOMBAQXYVWPW-NSHDSACASA-N 1 1 300.305 2.964 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@@H](COC(F)F)C2)cccc1[N+](=O)[O-] ZINC000353026838 428359467 /nfs/dbraw/zinc/35/94/67/428359467.db2.gz LPSOMBAQXYVWPW-LLVKDONJSA-N 1 1 300.305 2.964 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@H](COC(F)F)C2)cc1[N+](=O)[O-] ZINC000353030057 428362324 /nfs/dbraw/zinc/36/23/24/428362324.db2.gz RPDBSNICXMYNNE-LLVKDONJSA-N 1 1 316.304 2.665 20 5 DFBDMO C[C@H]1CN(C)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353048608 428368514 /nfs/dbraw/zinc/36/85/14/428368514.db2.gz VJNITKNFMVXHTB-SMDDNHRTSA-N 1 1 311.813 2.721 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000378346534 428369646 /nfs/dbraw/zinc/36/96/46/428369646.db2.gz FTTFDRDAWJWRCF-GFCCVEGCSA-N 1 1 306.362 2.844 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000378346536 428371876 /nfs/dbraw/zinc/37/18/76/428371876.db2.gz FTTFDRDAWJWRCF-LBPRGKRZSA-N 1 1 306.362 2.844 20 5 DFBDMO Cc1cccnc1[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000357077639 428381781 /nfs/dbraw/zinc/38/17/81/428381781.db2.gz WZBAHFFJIBMKDF-ZDUSSCGKSA-N 1 1 303.366 2.519 20 5 DFBDMO CC[N@@H+](CCNc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000357269198 428462216 /nfs/dbraw/zinc/46/22/16/428462216.db2.gz ZJDMKEJOZHSQOF-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000378523800 428421053 /nfs/dbraw/zinc/42/10/53/428421053.db2.gz XKCGGKHYXGZBNB-QGZVFWFLSA-N 1 1 316.332 2.827 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373468233 428585455 /nfs/dbraw/zinc/58/54/55/428585455.db2.gz USPRXPVWCKFPRI-RDJZCZTQSA-N 1 1 320.389 2.673 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373468233 428585460 /nfs/dbraw/zinc/58/54/60/428585460.db2.gz USPRXPVWCKFPRI-RDJZCZTQSA-N 1 1 320.389 2.673 20 5 DFBDMO CC[N@@H+](CCC(=O)OC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347331515 428550552 /nfs/dbraw/zinc/55/05/52/428550552.db2.gz FKDSMBCLKCSYPN-RAXLEYEMSA-N 1 1 306.362 2.883 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000347375800 428566567 /nfs/dbraw/zinc/56/65/67/428566567.db2.gz SAGSPVHEJPJLMX-NRUITVPNSA-N 1 1 317.389 2.586 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361591492 428577857 /nfs/dbraw/zinc/57/78/57/428577857.db2.gz NPRBUCHOUBPSJR-NEPJUHHUSA-N 1 1 320.315 2.844 20 5 DFBDMO CCC(=O)c1ccc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000373530165 428598711 /nfs/dbraw/zinc/59/87/11/428598711.db2.gz OTWVLFBUOVCAHM-OCCSQVGLSA-N 1 1 317.389 2.860 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnn2)c(Cl)c1 ZINC000344022642 428612279 /nfs/dbraw/zinc/61/22/79/428612279.db2.gz ZEBXNJSZOCWBHY-CYBMUJFWSA-N 1 1 321.768 2.504 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnn2)c(Cl)c1 ZINC000344022642 428612283 /nfs/dbraw/zinc/61/22/83/428612283.db2.gz ZEBXNJSZOCWBHY-CYBMUJFWSA-N 1 1 321.768 2.504 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353611537 428621415 /nfs/dbraw/zinc/62/14/15/428621415.db2.gz YWAWDFGGUWKVGN-CYBMUJFWSA-N 1 1 315.373 2.991 20 5 DFBDMO C[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353611537 428621421 /nfs/dbraw/zinc/62/14/21/428621421.db2.gz YWAWDFGGUWKVGN-CYBMUJFWSA-N 1 1 315.373 2.991 20 5 DFBDMO C[C@@H]1CN(C)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353611537 428621424 /nfs/dbraw/zinc/62/14/24/428621424.db2.gz YWAWDFGGUWKVGN-CYBMUJFWSA-N 1 1 315.373 2.991 20 5 DFBDMO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000373611509 428621579 /nfs/dbraw/zinc/62/15/79/428621579.db2.gz PMOCUZYZRWFLKC-KRWDZBQOSA-N 1 1 320.389 2.755 20 5 DFBDMO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000373611509 428621582 /nfs/dbraw/zinc/62/15/82/428621582.db2.gz PMOCUZYZRWFLKC-KRWDZBQOSA-N 1 1 320.389 2.755 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000408348607 428644533 /nfs/dbraw/zinc/64/45/33/428644533.db2.gz IRUDJVIFNFNTOT-KEYYUXOJSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000408348607 428644537 /nfs/dbraw/zinc/64/45/37/428644537.db2.gz IRUDJVIFNFNTOT-KEYYUXOJSA-N 1 1 320.389 2.926 20 5 DFBDMO COc1cc(N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000374153509 428665460 /nfs/dbraw/zinc/66/54/60/428665460.db2.gz JSKHNWBBJFRWGS-ZIAGYGMSSA-N 1 1 305.378 2.666 20 5 DFBDMO C[C@@H](c1ccccn1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299202684 274278542 /nfs/dbraw/zinc/27/85/42/274278542.db2.gz XJTLRBILPZSABJ-AWEZNQCLSA-N 1 1 312.373 2.873 20 5 DFBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC000331712939 274346097 /nfs/dbraw/zinc/34/60/97/274346097.db2.gz GKEIUASEPHTVOB-LBPRGKRZSA-N 1 1 317.389 2.604 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000362327297 428706244 /nfs/dbraw/zinc/70/62/44/428706244.db2.gz XUTFBVSBOHAUKI-SMDDNHRTSA-N 1 1 324.352 2.743 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](C1CC1)[NH+](C)C ZINC000344842378 428713281 /nfs/dbraw/zinc/71/32/81/428713281.db2.gz BEUQXPNVXMULLJ-JZUUQJBKSA-N 1 1 303.406 2.928 20 5 DFBDMO Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000344864876 428714863 /nfs/dbraw/zinc/71/48/63/428714863.db2.gz LHMDWCPXYFAXDQ-CYBMUJFWSA-N 1 1 302.334 2.584 20 5 DFBDMO Cn1c(NCCc2ccccc2[N+](=O)[O-])[nH+]c2cccc(F)c21 ZINC000409656123 428680469 /nfs/dbraw/zinc/68/04/69/428680469.db2.gz FOXUHKPDOOYUEQ-UHFFFAOYSA-N 1 1 314.320 3.275 20 5 DFBDMO CC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411217759 428762951 /nfs/dbraw/zinc/76/29/51/428762951.db2.gz MVVPDHXLVPTUAX-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC000374990174 428794404 /nfs/dbraw/zinc/79/44/04/428794404.db2.gz RZJIPBFKPXZNLC-UHFFFAOYSA-N 1 1 310.785 2.708 20 5 DFBDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000354196662 428908593 /nfs/dbraw/zinc/90/85/93/428908593.db2.gz XDZWZXQPWPZKNI-HNNXBMFYSA-N 1 1 319.405 2.518 20 5 DFBDMO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354101653 428862340 /nfs/dbraw/zinc/86/23/40/428862340.db2.gz VOZOTCBXBQJUEI-KRWDZBQOSA-N 1 1 321.421 2.528 20 5 DFBDMO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354101653 428862343 /nfs/dbraw/zinc/86/23/43/428862343.db2.gz VOZOTCBXBQJUEI-KRWDZBQOSA-N 1 1 321.421 2.528 20 5 DFBDMO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000354106115 428865853 /nfs/dbraw/zinc/86/58/53/428865853.db2.gz HHHZYCOCBGEIGY-QGZVFWFLSA-N 1 1 321.421 2.528 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000348880866 428867661 /nfs/dbraw/zinc/86/76/61/428867661.db2.gz WCEIYEOOHVQYQP-LLVKDONJSA-N 1 1 300.305 2.964 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000354112591 428868113 /nfs/dbraw/zinc/86/81/13/428868113.db2.gz ZLMZBSYGHLBQRX-HOTGVXAUSA-N 1 1 319.405 2.816 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000354112591 428868117 /nfs/dbraw/zinc/86/81/17/428868117.db2.gz ZLMZBSYGHLBQRX-HOTGVXAUSA-N 1 1 319.405 2.816 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000363199741 428881439 /nfs/dbraw/zinc/88/14/39/428881439.db2.gz YNIIVCILSQFMRH-AWEZNQCLSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000363199741 428881443 /nfs/dbraw/zinc/88/14/43/428881443.db2.gz YNIIVCILSQFMRH-AWEZNQCLSA-N 1 1 304.325 2.768 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203205 428914348 /nfs/dbraw/zinc/91/43/48/428914348.db2.gz ALQLZXFZAWHYLG-ZBFHGGJFSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203205 428914376 /nfs/dbraw/zinc/91/43/76/428914376.db2.gz ALQLZXFZAWHYLG-ZBFHGGJFSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203205 428914382 /nfs/dbraw/zinc/91/43/82/428914382.db2.gz ALQLZXFZAWHYLG-ZBFHGGJFSA-N 1 1 321.421 2.778 20 5 DFBDMO CO[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000363692817 428971127 /nfs/dbraw/zinc/97/11/27/428971127.db2.gz PYNDFVRKDVSVGE-LBPRGKRZSA-N 1 1 305.334 2.737 20 5 DFBDMO Cc1nnc([C@H]2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412048278 428924450 /nfs/dbraw/zinc/92/44/50/428924450.db2.gz WLCIVIPAVSGILM-PWSUYJOCSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1n[nH]c([C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000412048278 428924454 /nfs/dbraw/zinc/92/44/54/428924454.db2.gz WLCIVIPAVSGILM-PWSUYJOCSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1n[nH]c([C@H]2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000412048278 428924461 /nfs/dbraw/zinc/92/44/61/428924461.db2.gz WLCIVIPAVSGILM-PWSUYJOCSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1nc([C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412048278 428924466 /nfs/dbraw/zinc/92/44/66/428924466.db2.gz WLCIVIPAVSGILM-PWSUYJOCSA-N 1 1 301.350 2.572 20 5 DFBDMO Cc1nc([C@H]2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412048278 428924470 /nfs/dbraw/zinc/92/44/70/428924470.db2.gz WLCIVIPAVSGILM-PWSUYJOCSA-N 1 1 301.350 2.572 20 5 DFBDMO CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000412051626 428929301 /nfs/dbraw/zinc/92/93/01/428929301.db2.gz WUSVUQHVGLXNIU-RRFJBIMHSA-N 1 1 320.389 2.586 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000345574937 428941483 /nfs/dbraw/zinc/94/14/83/428941483.db2.gz PTLDQJMMIMCIHI-CYBMUJFWSA-N 1 1 307.394 2.753 20 5 DFBDMO COc1cc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000349252922 428949206 /nfs/dbraw/zinc/94/92/06/428949206.db2.gz VQUYGXCPYDZEFS-CYBMUJFWSA-N 1 1 320.389 2.994 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433323096 429025541 /nfs/dbraw/zinc/02/55/41/429025541.db2.gz ULSGZUMKHOMOBT-CYBMUJFWSA-N 1 1 320.780 2.934 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)n1 ZINC000451971715 429030727 /nfs/dbraw/zinc/03/07/27/429030727.db2.gz NLVUVEPRRKVPLZ-AWEZNQCLSA-N 1 1 322.315 2.907 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2ccc(F)cc2F)n1 ZINC000451971715 429030730 /nfs/dbraw/zinc/03/07/30/429030730.db2.gz NLVUVEPRRKVPLZ-AWEZNQCLSA-N 1 1 322.315 2.907 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000349404155 428980498 /nfs/dbraw/zinc/98/04/98/428980498.db2.gz FIMBWTLRXZIWED-PPOCWRSBSA-N 1 1 318.295 2.853 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000349404155 428980504 /nfs/dbraw/zinc/98/05/04/428980504.db2.gz FIMBWTLRXZIWED-PPOCWRSBSA-N 1 1 318.295 2.853 20 5 DFBDMO Cc1[nH+]ccn1-c1ccc(CNc2nc(C)ccc2[N+](=O)[O-])cn1 ZINC000363764222 428987257 /nfs/dbraw/zinc/98/72/57/428987257.db2.gz UTTKNCLDENUMOM-UHFFFAOYSA-N 1 1 324.344 2.799 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000421861996 429041131 /nfs/dbraw/zinc/04/11/31/429041131.db2.gz IOTIYSRAELHDQG-UHFFFAOYSA-N 1 1 317.389 2.593 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000452113370 429061940 /nfs/dbraw/zinc/06/19/40/429061940.db2.gz HLUVWJXPVSBSQC-OAHLLOKOSA-N 1 1 307.394 2.518 20 5 DFBDMO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000424136870 429097231 /nfs/dbraw/zinc/09/72/31/429097231.db2.gz LDMUXBWXZWPNEU-YPMHNXCESA-N 1 1 305.378 2.645 20 5 DFBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413025789 429124675 /nfs/dbraw/zinc/12/46/75/429124675.db2.gz HRUYNVFLAARPEK-ZDUSSCGKSA-N 1 1 316.336 2.815 20 5 DFBDMO C[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413085120 429135260 /nfs/dbraw/zinc/13/52/60/429135260.db2.gz OZZFGHAMZIVEQE-QMMMGPOBSA-N 1 1 304.272 2.515 20 5 DFBDMO CN(C(=O)C[N@H+]1C[C@@H]2CCCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000363926380 429140701 /nfs/dbraw/zinc/14/07/01/429140701.db2.gz WAZQYKWJPSYIFF-BBRMVZONSA-N 1 1 317.389 2.822 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000364051473 429163024 /nfs/dbraw/zinc/16/30/24/429163024.db2.gz AVAQTMAMFXNPGE-UHFFFAOYSA-N 1 1 319.405 2.707 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000364314189 429179249 /nfs/dbraw/zinc/17/92/49/429179249.db2.gz ZHVDEEGIPSIUMS-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO CC(C)[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000488574574 429186285 /nfs/dbraw/zinc/18/62/85/429186285.db2.gz RJHBGJIAEJDZAX-BQLWYNFJSA-N 1 1 303.406 2.880 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1noc([C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000364423301 429200620 /nfs/dbraw/zinc/20/06/20/429200620.db2.gz RZNSRHXUTUHKRU-SNVBAGLBSA-N 1 1 311.301 2.571 20 5 DFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364618817 429234589 /nfs/dbraw/zinc/23/45/89/429234589.db2.gz DRSGIZCZJHIHQQ-BZUAXINKSA-N 1 1 304.390 2.883 20 5 DFBDMO COc1ccc(-c2ccc(C[N@@H+](C)CCCO)o2)c([N+](=O)[O-])c1 ZINC000442965908 429243022 /nfs/dbraw/zinc/24/30/22/429243022.db2.gz LVPSDWSXMTURFO-UHFFFAOYSA-N 1 1 320.345 2.678 20 5 DFBDMO Cc1ccc(C[NH+]2CCC(OC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000495691436 429247107 /nfs/dbraw/zinc/24/71/07/429247107.db2.gz RKLXAIWAQDOQCG-UHFFFAOYSA-N 1 1 321.377 2.566 20 5 DFBDMO CCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456173443 429253101 /nfs/dbraw/zinc/25/31/01/429253101.db2.gz GIQKPTBSGUDCLE-UHFFFAOYSA-N 1 1 308.382 2.695 20 5 DFBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C(C)C ZINC000456188197 429254546 /nfs/dbraw/zinc/25/45/46/429254546.db2.gz NBEFYEVBVQWCIC-UHFFFAOYSA-N 1 1 308.382 2.694 20 5 DFBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000443971204 429259970 /nfs/dbraw/zinc/25/99/70/429259970.db2.gz VLARJRKAJUIAGD-CYBMUJFWSA-N 1 1 320.393 2.675 20 5 DFBDMO CC1(C)CCC[N@@H+](CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000444013043 429261604 /nfs/dbraw/zinc/26/16/04/429261604.db2.gz WLUYUICHTJPIIQ-UHFFFAOYSA-N 1 1 309.385 2.946 20 5 DFBDMO CC1(C)CCCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000444013043 429261607 /nfs/dbraw/zinc/26/16/07/429261607.db2.gz WLUYUICHTJPIIQ-UHFFFAOYSA-N 1 1 309.385 2.946 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000364868624 429267172 /nfs/dbraw/zinc/26/71/72/429267172.db2.gz GUTKGXYQPYWZIY-CMPLNLGQSA-N 1 1 310.785 2.706 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000449077710 429326092 /nfs/dbraw/zinc/32/60/92/429326092.db2.gz SQGPRJCBRZJKSZ-ZIAGYGMSSA-N 1 1 303.406 2.600 20 5 DFBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC23CCCC3)c1 ZINC000365518516 429332332 /nfs/dbraw/zinc/33/23/32/429332332.db2.gz VVXRWAPCTXLPFQ-HNNXBMFYSA-N 1 1 320.389 2.743 20 5 DFBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000365537372 429337054 /nfs/dbraw/zinc/33/70/54/429337054.db2.gz VTHRERRUUMXJTD-LLVKDONJSA-N 1 1 304.325 2.851 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CCCn3cc[nH+]c31)CCN2 ZINC000365553325 429339783 /nfs/dbraw/zinc/33/97/83/429339783.db2.gz XKZIYYOYXTXFCC-NSHDSACASA-N 1 1 313.361 2.749 20 5 DFBDMO Cc1ccoc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000505585119 429342074 /nfs/dbraw/zinc/34/20/74/429342074.db2.gz LHXSKOZZNOBRBR-UHFFFAOYSA-N 1 1 301.346 2.818 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457084633 429396356 /nfs/dbraw/zinc/39/63/56/429396356.db2.gz ZCVVLRPKMAQVIP-UHFFFAOYSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449360004 429396815 /nfs/dbraw/zinc/39/68/15/429396815.db2.gz IMLFBHNMALYLNF-BXKDBHETSA-N 1 1 315.320 2.945 20 5 DFBDMO COc1ccc(OCC[N@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426488702 429398216 /nfs/dbraw/zinc/39/82/16/429398216.db2.gz XJMRKAQZQJRMEK-OCCSQVGLSA-N 1 1 306.362 2.857 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000449411368 429408644 /nfs/dbraw/zinc/40/86/44/429408644.db2.gz AVDZJNKRHHKIPK-VHSXEESVSA-N 1 1 315.320 2.945 20 5 DFBDMO CC[N@@H+]1CC[C@H](N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000518989611 429444285 /nfs/dbraw/zinc/44/42/85/429444285.db2.gz VXYORLNLPZLMLZ-WCQYABFASA-N 1 1 317.311 2.882 20 5 DFBDMO CC[N@H+]1CC[C@H](N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000518989611 429444290 /nfs/dbraw/zinc/44/42/90/429444290.db2.gz VXYORLNLPZLMLZ-WCQYABFASA-N 1 1 317.311 2.882 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449565783 429450226 /nfs/dbraw/zinc/45/02/26/429450226.db2.gz KVNPMPJHCFJMQO-CQSZACIVSA-N 1 1 307.394 2.520 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000426798671 429417498 /nfs/dbraw/zinc/41/74/98/429417498.db2.gz ISIGGEWDCDDLHR-ZDUSSCGKSA-N 1 1 321.421 2.979 20 5 DFBDMO CC(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449467100 429427586 /nfs/dbraw/zinc/42/75/86/429427586.db2.gz IGYDGMHHFOVNFP-HNNXBMFYSA-N 1 1 314.332 2.920 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449467100 429427590 /nfs/dbraw/zinc/42/75/90/429427590.db2.gz IGYDGMHHFOVNFP-HNNXBMFYSA-N 1 1 314.332 2.920 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449476964 429428809 /nfs/dbraw/zinc/42/88/09/429428809.db2.gz VZKNFGPDKZEHKZ-QARUFBMTSA-N 1 1 312.316 2.700 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449499161 429435416 /nfs/dbraw/zinc/43/54/16/429435416.db2.gz SXMYHXKULGUBDK-IUODEOHRSA-N 1 1 308.378 2.850 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492208617 429488573 /nfs/dbraw/zinc/48/85/73/429488573.db2.gz JHKUCRINMIDMGA-JTQLQIEISA-N 1 1 312.753 2.776 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492208617 429488578 /nfs/dbraw/zinc/48/85/78/429488578.db2.gz JHKUCRINMIDMGA-JTQLQIEISA-N 1 1 312.753 2.776 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000449782853 429507466 /nfs/dbraw/zinc/50/74/66/429507466.db2.gz MFIZBAVRNDCMCQ-CABCVRRESA-N 1 1 320.389 2.850 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000449782853 429507470 /nfs/dbraw/zinc/50/74/70/429507470.db2.gz MFIZBAVRNDCMCQ-CABCVRRESA-N 1 1 320.389 2.850 20 5 DFBDMO C[C@@H]1CC2(CCC2)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000366748925 429507559 /nfs/dbraw/zinc/50/75/59/429507559.db2.gz CPCRJJYEPQQZNQ-ZIAGYGMSSA-N 1 1 320.389 2.599 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366789921 429514485 /nfs/dbraw/zinc/51/44/85/429514485.db2.gz QCLSPACNBRNKGP-DZGCQCFKSA-N 1 1 306.362 2.604 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000367025651 429559773 /nfs/dbraw/zinc/55/97/73/429559773.db2.gz CPVSBDAYOJWTEM-CYBMUJFWSA-N 1 1 314.345 2.845 20 5 DFBDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000366908108 429538407 /nfs/dbraw/zinc/53/84/07/429538407.db2.gz CCPVVWABSMBRFB-MLGOLLRUSA-N 1 1 322.336 2.509 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000521231300 429545080 /nfs/dbraw/zinc/54/50/80/429545080.db2.gz DCUPTUHZKTUAHA-OAHLLOKOSA-N 1 1 313.357 2.988 20 5 DFBDMO CC(C)[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1C ZINC000450477498 429637295 /nfs/dbraw/zinc/63/72/95/429637295.db2.gz BIBMMIKKWFTSFE-MRXNPFEDSA-N 1 1 314.389 2.919 20 5 DFBDMO Cc1c([C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000367256688 429604488 /nfs/dbraw/zinc/60/44/88/429604488.db2.gz ZWLLQFGPDMTGEU-INIZCTEOSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1c([C@@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000367256688 429604491 /nfs/dbraw/zinc/60/44/91/429604491.db2.gz ZWLLQFGPDMTGEU-INIZCTEOSA-N 1 1 300.362 2.974 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429387051 429605904 /nfs/dbraw/zinc/60/59/04/429605904.db2.gz YIMHXUWQOTUHGL-AAEUAGOBSA-N 1 1 312.391 2.676 20 5 DFBDMO CC(C)(C)SCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367252017 429606087 /nfs/dbraw/zinc/60/60/87/429606087.db2.gz KMICINPYFYAFDI-LBPRGKRZSA-N 1 1 312.439 2.960 20 5 DFBDMO CCC[N@H+](CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430149629 429655746 /nfs/dbraw/zinc/65/57/46/429655746.db2.gz NOXKXBHJJGXXAG-UHFFFAOYSA-N 1 1 317.345 2.552 20 5 DFBDMO CCC[N@@H+](CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430149629 429655750 /nfs/dbraw/zinc/65/57/50/429655750.db2.gz NOXKXBHJJGXXAG-UHFFFAOYSA-N 1 1 317.345 2.552 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000430214592 429662615 /nfs/dbraw/zinc/66/26/15/429662615.db2.gz DYDGHKAUWPEHHE-SWLSCSKDSA-N 1 1 308.378 2.586 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210555 429662740 /nfs/dbraw/zinc/66/27/40/429662740.db2.gz DOKSDCSJMFAVAQ-ZBFHGGJFSA-N 1 1 319.405 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000430216308 429662938 /nfs/dbraw/zinc/66/29/38/429662938.db2.gz FDSUEPAJUBDWDY-HNNXBMFYSA-N 1 1 321.421 2.910 20 5 DFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430217183 429663080 /nfs/dbraw/zinc/66/30/80/429663080.db2.gz IVPBGBYOKFFEDS-MRXNPFEDSA-N 1 1 308.378 2.588 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430288003 429674970 /nfs/dbraw/zinc/67/49/70/429674970.db2.gz ZYNCVZVXIDVMES-NSHDSACASA-N 1 1 303.362 2.740 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430288003 429674973 /nfs/dbraw/zinc/67/49/73/429674973.db2.gz ZYNCVZVXIDVMES-NSHDSACASA-N 1 1 303.362 2.740 20 5 DFBDMO CC1=C[C@H](C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430284644 429673760 /nfs/dbraw/zinc/67/37/60/429673760.db2.gz MUDYFOSTKVAVTB-AAEUAGOBSA-N 1 1 303.362 2.820 20 5 DFBDMO CC1=C[C@H](C)C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430284644 429673761 /nfs/dbraw/zinc/67/37/61/429673761.db2.gz MUDYFOSTKVAVTB-AAEUAGOBSA-N 1 1 303.362 2.820 20 5 DFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450784708 429699303 /nfs/dbraw/zinc/69/93/03/429699303.db2.gz CLMPEXRJORGKEQ-RNCFNFMXSA-N 1 1 315.295 2.754 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CNc1[nH+]c2ccc(F)cc2n1C ZINC000464356125 429708273 /nfs/dbraw/zinc/70/82/73/429708273.db2.gz OHOTVCXJZAXFGM-UHFFFAOYSA-N 1 1 314.320 3.541 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](CO)[C@H]2CC)ccc1[N+](=O)[O-] ZINC000451263712 429798549 /nfs/dbraw/zinc/79/85/49/429798549.db2.gz IGYIQCYLTHRAMK-ZIAGYGMSSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000367944869 429750087 /nfs/dbraw/zinc/75/00/87/429750087.db2.gz NGDRHMITFIPTCN-GFCCVEGCSA-N 1 1 314.345 2.905 20 5 DFBDMO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@H+]1C ZINC000487045687 429763121 /nfs/dbraw/zinc/76/31/21/429763121.db2.gz LVTHQQRENBXUNU-QGZVFWFLSA-N 1 1 314.389 2.919 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000368088556 429785520 /nfs/dbraw/zinc/78/55/20/429785520.db2.gz GTWAFYMEHPYQDW-HNNXBMFYSA-N 1 1 316.361 2.555 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000368088556 429785523 /nfs/dbraw/zinc/78/55/23/429785523.db2.gz GTWAFYMEHPYQDW-HNNXBMFYSA-N 1 1 316.361 2.555 20 5 DFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432349293 429815949 /nfs/dbraw/zinc/81/59/49/429815949.db2.gz UYOBXDDXENUDDK-NWDGAFQWSA-N 1 1 300.362 2.672 20 5 DFBDMO O=C(C[NH+]1CCC(C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000368334211 429831954 /nfs/dbraw/zinc/83/19/54/429831954.db2.gz VTOUWELVEMUHOF-UHFFFAOYSA-N 1 1 303.362 2.655 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000493846041 429840401 /nfs/dbraw/zinc/84/04/01/429840401.db2.gz CEMCLHWFEATLDJ-CXOKCQFOSA-N 1 1 317.389 2.549 20 5 DFBDMO CCN(C)C(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548741 429849926 /nfs/dbraw/zinc/84/99/26/429849926.db2.gz OFICDFMAJCWDSA-OAHLLOKOSA-N 1 1 319.405 2.643 20 5 DFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000451548626 429850696 /nfs/dbraw/zinc/85/06/96/429850696.db2.gz VFJNEFGPMDIYKQ-DOMZBBRYSA-N 1 1 308.378 2.850 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2cccc(F)c2)cc1 ZINC000494227685 429860412 /nfs/dbraw/zinc/86/04/12/429860412.db2.gz QELFRRPQEDATIC-UHFFFAOYSA-N 1 1 304.321 2.728 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2cccc(F)c2)cc1 ZINC000494227685 429860416 /nfs/dbraw/zinc/86/04/16/429860416.db2.gz QELFRRPQEDATIC-UHFFFAOYSA-N 1 1 304.321 2.728 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451720809 429878156 /nfs/dbraw/zinc/87/81/56/429878156.db2.gz YNNQCJWPDUMRAI-DVOMOZLQSA-N 1 1 320.389 2.586 20 5 DFBDMO Cc1cc([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cs1 ZINC000369020551 429908022 /nfs/dbraw/zinc/90/80/22/429908022.db2.gz YUZINFVYAOXEIA-GFCCVEGCSA-N 1 1 306.391 2.651 20 5 DFBDMO Cc1ccc([C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c(C)c1 ZINC000369389781 429936468 /nfs/dbraw/zinc/93/64/68/429936468.db2.gz SKHGDZACRWVUIQ-CQSZACIVSA-N 1 1 314.389 2.935 20 5 DFBDMO CC(C)Oc1nc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000581081743 430177236 /nfs/dbraw/zinc/17/72/36/430177236.db2.gz FDSIYGAYPVGANQ-OLZOCXBDSA-N 1 1 322.409 2.553 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361516558 277082048 /nfs/dbraw/zinc/08/20/48/277082048.db2.gz RIWPDSQAGPPKDD-LSDHHAIUSA-N 1 1 318.377 2.685 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1N[C@H]1CC[N@H+](C3CC3)C1)CCCC2 ZINC000581247876 430192006 /nfs/dbraw/zinc/19/20/06/430192006.db2.gz CHXRJIRDJGEWAZ-LBPRGKRZSA-N 1 1 302.378 2.517 20 5 DFBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000073996464 277215004 /nfs/dbraw/zinc/21/50/04/277215004.db2.gz FQKKTTYAPONKGW-NWDGAFQWSA-N 1 1 323.780 2.557 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2C2(O)CC2)ccc1[N+](=O)[O-] ZINC000565349308 430207365 /nfs/dbraw/zinc/20/73/65/430207365.db2.gz DWKROYOBAATSPE-INIZCTEOSA-N 1 1 320.389 2.873 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1O ZINC000542318844 430208455 /nfs/dbraw/zinc/20/84/55/430208455.db2.gz HJXVBRTYRFFKTA-UHFFFAOYSA-N 1 1 316.357 2.854 20 5 DFBDMO COC(=O)[C@H](C)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000103555447 277380657 /nfs/dbraw/zinc/38/06/57/277380657.db2.gz AINLMWMZRUOJGG-SNVBAGLBSA-N 1 1 310.325 2.507 20 5 DFBDMO COC(=O)[C@H](C)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000103555447 277380659 /nfs/dbraw/zinc/38/06/59/277380659.db2.gz AINLMWMZRUOJGG-SNVBAGLBSA-N 1 1 310.325 2.507 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000582274343 430284527 /nfs/dbraw/zinc/28/45/27/430284527.db2.gz ORFACJHIMFVYNS-ZDUSSCGKSA-N 1 1 322.409 2.514 20 5 DFBDMO C[C@@H]([N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000544060811 430272205 /nfs/dbraw/zinc/27/22/05/430272205.db2.gz AHTBUTVZHAIHED-CHWSQXEVSA-N 1 1 310.394 2.701 20 5 DFBDMO C[C@H]([N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000544060817 430272753 /nfs/dbraw/zinc/27/27/53/430272753.db2.gz AHTBUTVZHAIHED-STQMWFEESA-N 1 1 310.394 2.701 20 5 DFBDMO CCc1nn(C)c(Nc2ccc3c(c2)[nH+]c(C)n3C)c1[N+](=O)[O-] ZINC000567952548 430297079 /nfs/dbraw/zinc/29/70/79/430297079.db2.gz NCSZFJQSOCSBOV-UHFFFAOYSA-N 1 1 314.349 2.829 20 5 DFBDMO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568342790 430347902 /nfs/dbraw/zinc/34/79/02/430347902.db2.gz FLAPYKDHOTYDPT-IPYPFGDCSA-N 1 1 319.405 2.639 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000568626042 430376499 /nfs/dbraw/zinc/37/64/99/430376499.db2.gz MOEPZIKNBAEEIG-RHSMWYFYSA-N 1 1 320.389 2.865 20 5 DFBDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1ccccc1[N+](=O)[O-] ZINC000271591247 277625670 /nfs/dbraw/zinc/62/56/70/277625670.db2.gz FVNCECMRSLAZDX-ZJUUUORDSA-N 1 1 320.374 2.729 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC[NH+](C2CC2)CC1 ZINC000583390803 430392699 /nfs/dbraw/zinc/39/26/99/430392699.db2.gz BEIDOYWOKQXEIH-INIZCTEOSA-N 1 1 301.390 2.799 20 5 DFBDMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000548083859 430446178 /nfs/dbraw/zinc/44/61/78/430446178.db2.gz BXLZWYCMMJFBSD-SCRDCRAPSA-N 1 1 305.378 2.502 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000588549030 430483302 /nfs/dbraw/zinc/48/33/02/430483302.db2.gz SQHRINRLFCHJNB-UYZDIKGJSA-N 1 1 312.373 2.969 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOC2CCOCC2)C2CC2)c1 ZINC000599311098 430529573 /nfs/dbraw/zinc/52/95/73/430529573.db2.gz DKIKZOIRHPQPFQ-UHFFFAOYSA-N 1 1 320.389 2.755 20 5 DFBDMO C[C@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549938305 430535659 /nfs/dbraw/zinc/53/56/59/430535659.db2.gz QLTUYTHGJYTGEV-CYBMUJFWSA-N 1 1 318.295 2.960 20 5 DFBDMO C[C@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549938305 430535661 /nfs/dbraw/zinc/53/56/61/430535661.db2.gz QLTUYTHGJYTGEV-CYBMUJFWSA-N 1 1 318.295 2.960 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1N1CC[N@H+]3CCCC[C@@H]3C1)CCCC2 ZINC000571042733 430599196 /nfs/dbraw/zinc/59/91/96/430599196.db2.gz OPAVGZZTJRFKJV-CQSZACIVSA-N 1 1 316.405 2.543 20 5 DFBDMO CCOC(=O)c1cc(N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000555139746 430660715 /nfs/dbraw/zinc/66/07/15/430660715.db2.gz RYCPXSIEOFWWPB-GFCCVEGCSA-N 1 1 323.393 2.912 20 5 DFBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000553409938 430616241 /nfs/dbraw/zinc/61/62/41/430616241.db2.gz MCWHJHLPNIITJP-RYUDHWBXSA-N 1 1 321.377 2.584 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000572317328 430681294 /nfs/dbraw/zinc/68/12/94/430681294.db2.gz YCKGDMKEOYUOHE-KGLIPLIRSA-N 1 1 321.425 2.571 20 5 DFBDMO CC(=O)c1ccc(N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000368669888 278247101 /nfs/dbraw/zinc/24/71/01/278247101.db2.gz BREIBRPPDUAUHF-GJZGRUSLSA-N 1 1 317.389 2.860 20 5 DFBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000556811899 430693424 /nfs/dbraw/zinc/69/34/24/430693424.db2.gz PRZSUVVHFKWLIU-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000358102881 278338698 /nfs/dbraw/zinc/33/86/98/278338698.db2.gz WVSARNUWDMBIGU-GFCCVEGCSA-N 1 1 305.378 2.694 20 5 DFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000055748215 279323371 /nfs/dbraw/zinc/32/33/71/279323371.db2.gz STRKNMUFGUSNRV-HZSPNIEDSA-N 1 1 319.405 2.691 20 5 DFBDMO Cc1c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000360356596 280206560 /nfs/dbraw/zinc/20/65/60/280206560.db2.gz WXWFJBLNEXWGFR-CVEARBPZSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262412713 280571580 /nfs/dbraw/zinc/57/15/80/280571580.db2.gz DGJRUCAUOXOGAI-INIZCTEOSA-N 1 1 300.362 2.627 20 5 DFBDMO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000271641178 280615710 /nfs/dbraw/zinc/61/57/10/280615710.db2.gz RKLBEIYULRAOKB-QWRGUYRKSA-N 1 1 318.333 2.569 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000246761855 281008326 /nfs/dbraw/zinc/00/83/26/281008326.db2.gz OTHZAFSPNKAEEN-ZIAGYGMSSA-N 1 1 319.405 2.753 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000246931533 281198336 /nfs/dbraw/zinc/19/83/36/281198336.db2.gz JYIHQIJFQVVNAM-KBPBESRZSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1cccc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302495430 281224586 /nfs/dbraw/zinc/22/45/86/281224586.db2.gz LYHVRUZNNJXHGI-CQSZACIVSA-N 1 1 319.405 2.593 20 5 DFBDMO COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000153758355 289058858 /nfs/dbraw/zinc/05/88/58/289058858.db2.gz PTEQQDPDZZIVEI-CQSZACIVSA-N 1 1 309.410 2.522 20 5 DFBDMO COCCN(C)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000153758355 289058861 /nfs/dbraw/zinc/05/88/61/289058861.db2.gz PTEQQDPDZZIVEI-CQSZACIVSA-N 1 1 309.410 2.522 20 5 DFBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000361522513 289069496 /nfs/dbraw/zinc/06/94/96/289069496.db2.gz PHEGDSDQQHIZGS-AWEZNQCLSA-N 1 1 310.394 2.703 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000364986225 290234483 /nfs/dbraw/zinc/23/44/83/290234483.db2.gz KNOYKPPIXJRLAB-YVEFUNNKSA-N 1 1 312.373 2.673 20 5 DFBDMO COC[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284573948 293236402 /nfs/dbraw/zinc/23/64/02/293236402.db2.gz OPYIJOGZZWFKBD-IUODEOHRSA-N 1 1 308.378 2.782 20 5 DFBDMO COC[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284573948 293236405 /nfs/dbraw/zinc/23/64/05/293236405.db2.gz OPYIJOGZZWFKBD-IUODEOHRSA-N 1 1 308.378 2.782 20 5 DFBDMO CC[N@@H+](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000154119444 295292356 /nfs/dbraw/zinc/29/23/56/295292356.db2.gz ZSOIZEGRGWKTLB-UHFFFAOYSA-N 1 1 317.389 2.570 20 5 DFBDMO CCc1[nH+]ccn1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000158518923 295363925 /nfs/dbraw/zinc/36/39/25/295363925.db2.gz VFUNRJUSWWLRSS-UHFFFAOYSA-N 1 1 308.725 2.646 20 5 DFBDMO CC(C)[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438487003 297095225 /nfs/dbraw/zinc/09/52/25/297095225.db2.gz CXRRRAOWQUKBNF-BBRMVZONSA-N 1 1 317.389 2.678 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438490339 297095267 /nfs/dbraw/zinc/09/52/67/297095267.db2.gz OWAVRXQROYEIHU-CYBMUJFWSA-N 1 1 305.378 2.820 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441212231 297175808 /nfs/dbraw/zinc/17/58/08/297175808.db2.gz UAFIXACBUWRACC-CHWSQXEVSA-N 1 1 308.353 2.982 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000443069861 297214800 /nfs/dbraw/zinc/21/48/00/297214800.db2.gz KRDMSJRELQMEDF-AWEZNQCLSA-N 1 1 321.421 2.943 20 5 DFBDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444637620 297242612 /nfs/dbraw/zinc/24/26/12/297242612.db2.gz ISKOWZAGGIATJY-HUUCEWRRSA-N 1 1 318.377 2.597 20 5 DFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444637620 297242614 /nfs/dbraw/zinc/24/26/14/297242614.db2.gz ISKOWZAGGIATJY-HUUCEWRRSA-N 1 1 318.377 2.597 20 5 DFBDMO CSC[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653063 297243215 /nfs/dbraw/zinc/24/32/15/297243215.db2.gz KPZMKPPQLDSNOV-LLVKDONJSA-N 1 1 306.391 2.799 20 5 DFBDMO CSC[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444653063 297243216 /nfs/dbraw/zinc/24/32/16/297243216.db2.gz KPZMKPPQLDSNOV-LLVKDONJSA-N 1 1 306.391 2.799 20 5 DFBDMO CCOC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444647666 297243316 /nfs/dbraw/zinc/24/33/16/297243316.db2.gz LOGUZHUSGVGVJE-LBPRGKRZSA-N 1 1 318.377 2.720 20 5 DFBDMO CCOC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444647666 297243319 /nfs/dbraw/zinc/24/33/19/297243319.db2.gz LOGUZHUSGVGVJE-LBPRGKRZSA-N 1 1 318.377 2.720 20 5 DFBDMO CC(C)(C)[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000447840168 297320219 /nfs/dbraw/zinc/32/02/19/297320219.db2.gz PXRWXYXRUHPOFC-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)(C)[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000447840168 297320221 /nfs/dbraw/zinc/32/02/21/297320221.db2.gz PXRWXYXRUHPOFC-HNNXBMFYSA-N 1 1 308.378 2.721 20 5 DFBDMO COc1cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000447846249 297320916 /nfs/dbraw/zinc/32/09/16/297320916.db2.gz XMCDDJQHRCUIIG-GXTWGEPZSA-N 1 1 308.378 2.729 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000447898444 297324545 /nfs/dbraw/zinc/32/45/45/297324545.db2.gz VRGMAQXEDRMTMA-AWEZNQCLSA-N 1 1 320.393 2.837 20 5 DFBDMO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449360005 297453399 /nfs/dbraw/zinc/45/33/99/297453399.db2.gz IMLFBHNMALYLNF-CABZTGNLSA-N 1 1 315.320 2.945 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000454145857 298126377 /nfs/dbraw/zinc/12/63/77/298126377.db2.gz LYYMFGSGDVBJTA-ZDUSSCGKSA-N 1 1 320.393 2.851 20 5 DFBDMO CCC[C@@H]1CN(c2c(C)cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000497757302 300191702 /nfs/dbraw/zinc/19/17/02/300191702.db2.gz OLWGVZKLGHGCGJ-OAHLLOKOSA-N 1 1 321.421 2.840 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531911542 301118287 /nfs/dbraw/zinc/11/82/87/301118287.db2.gz KYXUSPHTKMTBRZ-DZGCQCFKSA-N 1 1 323.368 2.789 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC1CCCC1 ZINC000532513390 301157840 /nfs/dbraw/zinc/15/78/40/301157840.db2.gz UPWDIJKUPYPANC-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000534272970 301223252 /nfs/dbraw/zinc/22/32/52/301223252.db2.gz YQPBBUXWNJKPFC-QWHCGFSZSA-N 1 1 312.373 2.816 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000539882053 301353348 /nfs/dbraw/zinc/35/33/48/301353348.db2.gz MAFVOYXITORHPJ-LLVKDONJSA-N 1 1 319.405 2.592 20 5 DFBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000565155899 302198566 /nfs/dbraw/zinc/19/85/66/302198566.db2.gz GQBHRACIJBNJKV-GFCCVEGCSA-N 1 1 320.780 2.971 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000566172541 302265669 /nfs/dbraw/zinc/26/56/69/302265669.db2.gz GKPCTDGDZVUNQO-OAHLLOKOSA-N 1 1 308.378 2.993 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000566172541 302265672 /nfs/dbraw/zinc/26/56/72/302265672.db2.gz GKPCTDGDZVUNQO-OAHLLOKOSA-N 1 1 308.378 2.993 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000181504993 316061614 /nfs/dbraw/zinc/06/16/14/316061614.db2.gz VFZXLCAQNYOGRV-OAHLLOKOSA-N 1 1 322.405 2.847 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](C1CC1)C1CCCC1 ZINC000181861720 316075405 /nfs/dbraw/zinc/07/54/05/316075405.db2.gz JCLWTWUQINQUHR-HNNXBMFYSA-N 1 1 320.389 2.742 20 5 DFBDMO C[C@@H]1CCCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000187982599 316216170 /nfs/dbraw/zinc/21/61/70/316216170.db2.gz WNJIFRDKFWEDKY-CZUORRHYSA-N 1 1 317.389 2.822 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000322308971 316258248 /nfs/dbraw/zinc/25/82/48/316258248.db2.gz XPGQBWUCJANPHB-LBPRGKRZSA-N 1 1 321.377 2.524 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449559472 317043980 /nfs/dbraw/zinc/04/39/80/317043980.db2.gz YKLKFPHUWJZYCX-KMFMINBZSA-N 1 1 304.390 2.886 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449559474 317044614 /nfs/dbraw/zinc/04/46/14/317044614.db2.gz YKLKFPHUWJZYCX-UNEWFSDZSA-N 1 1 304.390 2.886 20 5 DFBDMO Cc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000452039272 317121112 /nfs/dbraw/zinc/12/11/12/317121112.db2.gz AZVKDFSUYXJFAX-UHFFFAOYSA-N 1 1 315.373 2.505 20 5 DFBDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488049562 317363204 /nfs/dbraw/zinc/36/32/04/317363204.db2.gz MMXNOGYPPXNEIR-UKRRQHHQSA-N 1 1 319.405 2.955 20 5 DFBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488074908 317364979 /nfs/dbraw/zinc/36/49/79/317364979.db2.gz JVQWRBPTBPNFCZ-SWLSCSKDSA-N 1 1 314.389 2.706 20 5 DFBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000192631161 323245162 /nfs/dbraw/zinc/24/51/62/323245162.db2.gz XBLBIDLBFJJAOK-UKPHBRMFSA-N 1 1 322.405 2.845 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360331 323267598 /nfs/dbraw/zinc/26/75/98/323267598.db2.gz MNHJYJRFWDLVFG-KBPBESRZSA-N 1 1 308.378 2.599 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000302140136 534247065 /nfs/dbraw/zinc/24/70/65/534247065.db2.gz FELBGUZHXQJYOK-RISCZKNCSA-N 1 1 321.377 2.522 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1 ZINC000332523774 534316996 /nfs/dbraw/zinc/31/69/96/534316996.db2.gz QVXYKOJLJCJTGH-ZIAGYGMSSA-N 1 1 317.389 2.602 20 5 DFBDMO C[C@@H]1C[N@H+](CCCCNc2sccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301981015 534461780 /nfs/dbraw/zinc/46/17/80/534461780.db2.gz AYFTZYGYOPACMD-TXEJJXNPSA-N 1 1 313.423 2.958 20 5 DFBDMO Cc1nc(NCCCC[N@@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000295005274 534488734 /nfs/dbraw/zinc/48/87/34/534488734.db2.gz AMBGQNPVDHLPSK-LBPRGKRZSA-N 1 1 307.398 2.760 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC12CCOCC2 ZINC000373760569 522975609 /nfs/dbraw/zinc/97/56/09/522975609.db2.gz LGFNMNGVSQLUBD-UHFFFAOYSA-N 1 1 306.362 2.748 20 5 DFBDMO CC(C)(C)[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000331325277 526736416 /nfs/dbraw/zinc/73/64/16/526736416.db2.gz OAXYGERPLVGTCG-OAHLLOKOSA-N 1 1 308.378 2.721 20 5 DFBDMO CC(C)(C)[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000331325277 526736418 /nfs/dbraw/zinc/73/64/18/526736418.db2.gz OAXYGERPLVGTCG-OAHLLOKOSA-N 1 1 308.378 2.721 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](CO)c3ccccc32)cs1 ZINC000364268085 527330824 /nfs/dbraw/zinc/33/08/24/527330824.db2.gz JVUNPQZRRCRNEY-FZMZJTMJSA-N 1 1 304.371 2.967 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1N[C@H]1CC[N@H+]3CCC[C@H]3C1)CCN2 ZINC000365046078 527380348 /nfs/dbraw/zinc/38/03/48/527380348.db2.gz ABRYZLSVMYJXFO-RYUDHWBXSA-N 1 1 302.378 2.602 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(F)c3F)CC2)n1 ZINC000365845253 527407604 /nfs/dbraw/zinc/40/76/04/527407604.db2.gz HWEXIWSVXAJZHM-UHFFFAOYSA-N 1 1 322.315 2.907 20 5 DFBDMO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000331308707 527931020 /nfs/dbraw/zinc/93/10/20/527931020.db2.gz BLXFZSOWMHHSCI-BETUJISGSA-N 1 1 307.394 2.518 20 5 DFBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000302114950 528838907 /nfs/dbraw/zinc/83/89/07/528838907.db2.gz RBIYNONYKFFYEJ-UHFFFAOYSA-N 1 1 315.377 2.837 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302061632 529202196 /nfs/dbraw/zinc/20/21/96/529202196.db2.gz SFUAJHOIONGLBX-AWEZNQCLSA-N 1 1 307.394 2.764 20 5 DFBDMO COc1cc(C[N@@H+]2CCOCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000353636856 536763933 /nfs/dbraw/zinc/76/39/33/536763933.db2.gz PJRBHKKXPIUJNO-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO COc1cc(C[N@H+]2CCOCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000353636856 536763940 /nfs/dbraw/zinc/76/39/40/536763940.db2.gz PJRBHKKXPIUJNO-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO Cc1ccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459272808 299071422 /nfs/dbraw/zinc/07/14/22/299071422.db2.gz XUFWXJNGGYDYEF-ZDUSSCGKSA-N 1 1 320.393 2.757 20 5 DFBDMO CC(C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000081941469 192343610 /nfs/dbraw/zinc/34/36/10/192343610.db2.gz FDDMVRMWTYWQBQ-UHFFFAOYSA-N 1 1 317.187 2.504 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000317332999 231160382 /nfs/dbraw/zinc/16/03/82/231160382.db2.gz XKBHLFDBVUFIRN-NEPJUHHUSA-N 1 1 323.780 2.605 20 5 DFBDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330945504 529422928 /nfs/dbraw/zinc/42/29/28/529422928.db2.gz KALUUOOBFTZCSU-CHWSQXEVSA-N 1 1 305.378 2.678 20 5 DFBDMO CCOC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083173128 185215894 /nfs/dbraw/zinc/21/58/94/185215894.db2.gz RJXCBNXOVOLZIZ-GFCCVEGCSA-N 1 1 319.361 2.985 20 5 DFBDMO O=[N+]([O-])c1cc2c(nc1N[C@H]1CC[N@H+]3CCC[C@H]3C1)CCCC2 ZINC000591899371 398347024 /nfs/dbraw/zinc/34/70/24/398347024.db2.gz KURQFQPFWWGAIX-KBPBESRZSA-N 1 1 316.405 2.907 20 5 DFBDMO Cc1cc(NC2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])s1 ZINC000596206451 398356802 /nfs/dbraw/zinc/35/68/02/398356802.db2.gz LNOHFZGPQJXZPK-UHFFFAOYSA-N 1 1 321.406 2.779 20 5 DFBDMO Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596206764 398356855 /nfs/dbraw/zinc/35/68/55/398356855.db2.gz AEEHYNPOAPJOGK-LLVKDONJSA-N 1 1 313.423 2.878 20 5 DFBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596187296 398351281 /nfs/dbraw/zinc/35/12/81/398351281.db2.gz YZWWGOGVKSOFTD-LBPRGKRZSA-N 1 1 316.361 2.628 20 5 DFBDMO CN(c1c(Cl)cncc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000596232393 398363049 /nfs/dbraw/zinc/36/30/49/398363049.db2.gz QPOKZGHYROPLPC-ZACCUICWSA-N 1 1 310.785 2.705 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008350942 398372197 /nfs/dbraw/zinc/37/21/97/398372197.db2.gz XGOYOXLTAZSMAB-CYBMUJFWSA-N 1 1 305.378 2.589 20 5 DFBDMO Cn1cc([C@H]2CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cn1 ZINC000286595728 219073192 /nfs/dbraw/zinc/07/31/92/219073192.db2.gz XMWHSZJBICRRED-JTQLQIEISA-N 1 1 322.315 2.596 20 5 DFBDMO Cn1cc([C@H]2CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)cn1 ZINC000286595728 219073197 /nfs/dbraw/zinc/07/31/97/219073197.db2.gz XMWHSZJBICRRED-JTQLQIEISA-N 1 1 322.315 2.596 20 5 DFBDMO C[C@@H](c1ccccc1F)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517955 185300110 /nfs/dbraw/zinc/30/01/10/185300110.db2.gz ZZPAYTDIGUXDOI-LBPRGKRZSA-N 1 1 319.336 2.589 20 5 DFBDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517955 185300111 /nfs/dbraw/zinc/30/01/11/185300111.db2.gz ZZPAYTDIGUXDOI-LBPRGKRZSA-N 1 1 319.336 2.589 20 5 DFBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092456192 185319812 /nfs/dbraw/zinc/31/98/12/185319812.db2.gz DXVYTNUMNXQAOO-CQSZACIVSA-N 1 1 306.362 2.678 20 5 DFBDMO CO[C@H](C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132499 398389082 /nfs/dbraw/zinc/38/90/82/398389082.db2.gz HMJQMHYZJYAVBG-FVQBIDKESA-N 1 1 322.405 2.735 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000592133374 398389186 /nfs/dbraw/zinc/38/91/86/398389186.db2.gz SZRUYFCVOJEACR-CQSZACIVSA-N 1 1 308.378 2.993 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000596335203 398389428 /nfs/dbraw/zinc/38/94/28/398389428.db2.gz GUCNHYXNCDKVHH-SECBINFHSA-N 1 1 309.395 2.589 20 5 DFBDMO COc1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000459387216 299093541 /nfs/dbraw/zinc/09/35/41/299093541.db2.gz MOQMFRJDBKNDED-UHFFFAOYSA-N 1 1 314.345 2.561 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CCO)c1ccccc1F ZINC000592162223 398395042 /nfs/dbraw/zinc/39/50/42/398395042.db2.gz VOZURGGFSHETOC-HNNXBMFYSA-N 1 1 304.321 2.947 20 5 DFBDMO COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000592181819 398397943 /nfs/dbraw/zinc/39/79/43/398397943.db2.gz IDOPSTYJMMKZRM-ZDUSSCGKSA-N 1 1 320.389 2.994 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181427676 199295720 /nfs/dbraw/zinc/29/57/20/199295720.db2.gz JPUBNXXCPBBDAK-WFASDCNBSA-N 1 1 308.378 2.586 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000592199092 398400729 /nfs/dbraw/zinc/40/07/29/398400729.db2.gz WVMWIGNDHMQOQV-OAHLLOKOSA-N 1 1 317.389 2.848 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286626128 219090899 /nfs/dbraw/zinc/09/08/99/219090899.db2.gz SGHCCDLDLRFECB-HUUCEWRRSA-N 1 1 308.378 2.727 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596443440 398413542 /nfs/dbraw/zinc/41/35/42/398413542.db2.gz ZSIAPZUDSKJPCQ-GFCCVEGCSA-N 1 1 320.393 2.837 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000067232721 398424771 /nfs/dbraw/zinc/42/47/71/398424771.db2.gz ONJUKAJCEHXSGD-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1sccc1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000596514876 398436268 /nfs/dbraw/zinc/43/62/68/398436268.db2.gz MAYOZNAWPYGADZ-CHWSQXEVSA-N 1 1 323.418 2.712 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000088722132 398440992 /nfs/dbraw/zinc/44/09/92/398440992.db2.gz CYARMOYNYSJTMI-HNNXBMFYSA-N 1 1 319.405 2.594 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC(N)=O)CC1 ZINC000585796330 398447498 /nfs/dbraw/zinc/44/74/98/398447498.db2.gz QLAHJIVBDUFTKC-CHWSQXEVSA-N 1 1 305.378 2.633 20 5 DFBDMO Cn1ccnc1[C@H]([NH2+]CCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272555766 398449334 /nfs/dbraw/zinc/44/93/34/398449334.db2.gz RZLQTBOMXUQMMR-OAHLLOKOSA-N 1 1 300.362 2.807 20 5 DFBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570041 398449987 /nfs/dbraw/zinc/44/99/87/398449987.db2.gz HOXFLFZFTVBUGB-GFCCVEGCSA-N 1 1 324.812 2.599 20 5 DFBDMO COc1cccc(OC)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000586776408 398456746 /nfs/dbraw/zinc/45/67/46/398456746.db2.gz GNHOONYEACYILQ-UHFFFAOYSA-N 1 1 302.330 2.902 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587571195 398471937 /nfs/dbraw/zinc/47/19/37/398471937.db2.gz RUTSABUPUQTMGK-JTQLQIEISA-N 1 1 321.406 2.743 20 5 DFBDMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028905300 398476831 /nfs/dbraw/zinc/47/68/31/398476831.db2.gz OPNLCQWGWQZZMZ-BETUJISGSA-N 1 1 305.378 2.536 20 5 DFBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000588025434 398477179 /nfs/dbraw/zinc/47/71/79/398477179.db2.gz QLZCHIVKNOQVRX-LLVKDONJSA-N 1 1 304.325 2.629 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC(C)(C)C1 ZINC000083418474 192370449 /nfs/dbraw/zinc/37/04/49/192370449.db2.gz APQLFKAXOXWJRW-LLVKDONJSA-N 1 1 323.418 2.749 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCSC(C)(C)C1 ZINC000083418474 192370451 /nfs/dbraw/zinc/37/04/51/192370451.db2.gz APQLFKAXOXWJRW-LLVKDONJSA-N 1 1 323.418 2.749 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000330931523 232176942 /nfs/dbraw/zinc/17/69/42/232176942.db2.gz UNBFNHPGBJPFHO-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000330931523 232176948 /nfs/dbraw/zinc/17/69/48/232176948.db2.gz UNBFNHPGBJPFHO-WCQYABFASA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090145559 398482581 /nfs/dbraw/zinc/48/25/81/398482581.db2.gz QJDSRIQNBUTHFJ-CABCVRRESA-N 1 1 305.378 2.568 20 5 DFBDMO CCCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592829640 398492008 /nfs/dbraw/zinc/49/20/08/398492008.db2.gz TYUNGIFPGCPLIH-CJNGLKHVSA-N 1 1 319.405 2.641 20 5 DFBDMO CCN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](C)C1 ZINC000596786910 398501046 /nfs/dbraw/zinc/50/10/46/398501046.db2.gz BMAUNVLGBHILIB-ZDUSSCGKSA-N 1 1 320.393 2.770 20 5 DFBDMO Cc1ccc([C@H](C)[NH2+]Cc2cn3cccnc3n2)cc1[N+](=O)[O-] ZINC000181831284 199359249 /nfs/dbraw/zinc/35/92/49/199359249.db2.gz HIGAKZHJYZZPGN-LBPRGKRZSA-N 1 1 311.345 2.797 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+][C@]2(CO)CCc3ccccc32)cs1 ZINC000305190814 398505278 /nfs/dbraw/zinc/50/52/78/398505278.db2.gz VBEZXCHXCWOSIG-HNNXBMFYSA-N 1 1 304.371 2.580 20 5 DFBDMO CO[C@@H](C)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444650535 297243431 /nfs/dbraw/zinc/24/34/31/297243431.db2.gz OZRNKMSKQUHIDG-NSHDSACASA-N 1 1 306.366 2.716 20 5 DFBDMO CC[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000593018907 398521089 /nfs/dbraw/zinc/52/10/89/398521089.db2.gz GYCQLXQOEJPFBA-MRXNPFEDSA-N 1 1 300.362 2.978 20 5 DFBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000279660698 215040299 /nfs/dbraw/zinc/04/02/99/215040299.db2.gz CNHNSDCDLIPTDT-TZMCWYRMSA-N 1 1 308.378 2.729 20 5 DFBDMO O=C(C[N@@H+]1CCC12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593038645 398528395 /nfs/dbraw/zinc/52/83/95/398528395.db2.gz KXGYXXXCOAJRLX-UHFFFAOYSA-N 1 1 315.373 2.502 20 5 DFBDMO O=C(C[N@H+]1CCC12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593038645 398528397 /nfs/dbraw/zinc/52/83/97/398528397.db2.gz KXGYXXXCOAJRLX-UHFFFAOYSA-N 1 1 315.373 2.502 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000596913568 398528799 /nfs/dbraw/zinc/52/87/99/398528799.db2.gz ZKDIIQDQENIEQC-ZDUSSCGKSA-N 1 1 320.393 2.763 20 5 DFBDMO CC1(C)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000279687349 215064056 /nfs/dbraw/zinc/06/40/56/215064056.db2.gz HGHORUPETHPFML-AWEZNQCLSA-N 1 1 310.419 2.846 20 5 DFBDMO CCOC(=O)c1cc(NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000091483078 398532591 /nfs/dbraw/zinc/53/25/91/398532591.db2.gz SYTINPPXAFCATA-LBPRGKRZSA-N 1 1 321.377 2.525 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091480127 398532769 /nfs/dbraw/zinc/53/27/69/398532769.db2.gz CYTPCOFUEPIFMC-GFCCVEGCSA-N 1 1 316.361 2.848 20 5 DFBDMO CC[C@H]1COC(C)(C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000593056266 398534116 /nfs/dbraw/zinc/53/41/16/398534116.db2.gz DMFCZRKGJUPBKO-ZDUSSCGKSA-N 1 1 308.378 2.863 20 5 DFBDMO CC[C@H]1COC(C)(C)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000593056266 398534117 /nfs/dbraw/zinc/53/41/17/398534117.db2.gz DMFCZRKGJUPBKO-ZDUSSCGKSA-N 1 1 308.378 2.863 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000032731445 398537200 /nfs/dbraw/zinc/53/72/00/398537200.db2.gz MWNHNTOWHYGXHU-STQMWFEESA-N 1 1 305.378 2.588 20 5 DFBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593118980 398550358 /nfs/dbraw/zinc/55/03/58/398550358.db2.gz XTZPJJFBWRSRCQ-GFCCVEGCSA-N 1 1 318.352 2.592 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000589506121 398558954 /nfs/dbraw/zinc/55/89/54/398558954.db2.gz XKMHJNNFKDLURH-CYBMUJFWSA-N 1 1 306.362 2.859 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCCSC)c1 ZINC000589515902 398558985 /nfs/dbraw/zinc/55/89/85/398558985.db2.gz RQDLZZDSTLJQAH-UHFFFAOYSA-N 1 1 312.391 2.566 20 5 DFBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000092609699 398587537 /nfs/dbraw/zinc/58/75/37/398587537.db2.gz JDYHMKOWICILTI-GXTWGEPZSA-N 1 1 309.341 2.781 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000597204603 398590217 /nfs/dbraw/zinc/59/02/17/398590217.db2.gz JRAREBNVLJUMRQ-GPCFVJJQSA-N 1 1 302.374 2.845 20 5 DFBDMO CC[N@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000590083850 398594731 /nfs/dbraw/zinc/59/47/31/398594731.db2.gz XGNHMBDXJWYSAX-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO CCOC(=O)C1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000092823148 398601903 /nfs/dbraw/zinc/60/19/03/398601903.db2.gz IPLIIEOBRQHQKN-UHFFFAOYSA-N 1 1 306.362 2.760 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000597236487 398600673 /nfs/dbraw/zinc/60/06/73/398600673.db2.gz QRIXUWRSAXKWHT-CKEAKTESSA-N 1 1 304.390 2.948 20 5 DFBDMO COC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000133707033 186008556 /nfs/dbraw/zinc/00/85/56/186008556.db2.gz ROCBXLBSUOLTCY-SNVBAGLBSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000133707033 186008558 /nfs/dbraw/zinc/00/85/58/186008558.db2.gz ROCBXLBSUOLTCY-SNVBAGLBSA-N 1 1 312.753 2.633 20 5 DFBDMO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000459683310 299164198 /nfs/dbraw/zinc/16/41/98/299164198.db2.gz TXYFLKQRTIJDFO-HIFRSBDPSA-N 1 1 318.373 2.604 20 5 DFBDMO CC[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000590442667 398622584 /nfs/dbraw/zinc/62/25/84/398622584.db2.gz QUSQNYXAOWYHIL-SWLSCSKDSA-N 1 1 305.378 2.504 20 5 DFBDMO CCOC(=O)N1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072585092 398623805 /nfs/dbraw/zinc/62/38/05/398623805.db2.gz QGZSNXUURAFRDS-CYBMUJFWSA-N 1 1 321.377 2.820 20 5 DFBDMO CCOC(=O)N1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072585092 398623807 /nfs/dbraw/zinc/62/38/07/398623807.db2.gz QGZSNXUURAFRDS-CYBMUJFWSA-N 1 1 321.377 2.820 20 5 DFBDMO CC[N@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000593465890 398637462 /nfs/dbraw/zinc/63/74/62/398637462.db2.gz QVQIVYZCPFXKNW-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C ZINC000177868077 186196352 /nfs/dbraw/zinc/19/63/52/186196352.db2.gz UWDFGOFJVCOZNV-GHMZBOCLSA-N 1 1 302.334 2.875 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000072873349 398643882 /nfs/dbraw/zinc/64/38/82/398643882.db2.gz AQXIEISFDRFKMD-TXEJJXNPSA-N 1 1 321.377 2.520 20 5 DFBDMO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CCc2[nH+]ccn2C1 ZINC000590687821 398652156 /nfs/dbraw/zinc/65/21/56/398652156.db2.gz ZXBODONLWSYRQC-NSHDSACASA-N 1 1 309.329 2.766 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccn1)C1CCCC1 ZINC000378464543 282773272 /nfs/dbraw/zinc/77/32/72/282773272.db2.gz UOXMVNBBQATYAA-OAHLLOKOSA-N 1 1 315.377 2.744 20 5 DFBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000172170305 198052176 /nfs/dbraw/zinc/05/21/76/198052176.db2.gz VPXDIHFPZUWJIY-UHFFFAOYSA-N 1 1 309.366 2.520 20 5 DFBDMO Cc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000172832589 198155516 /nfs/dbraw/zinc/15/55/16/198155516.db2.gz QQJXOWSBSLYWGQ-HNNXBMFYSA-N 1 1 319.405 2.850 20 5 DFBDMO COCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000172771580 198147746 /nfs/dbraw/zinc/14/77/46/198147746.db2.gz QYXXRQONKPSVMW-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000597667803 398677587 /nfs/dbraw/zinc/67/75/87/398677587.db2.gz RPEKGKSZWRUUQU-AAEUAGOBSA-N 1 1 305.378 2.880 20 5 DFBDMO CC(C)CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000045751852 398682582 /nfs/dbraw/zinc/68/25/82/398682582.db2.gz ZRJQHLCTVLZICK-MRXNPFEDSA-N 1 1 322.405 2.845 20 5 DFBDMO COc1ccc(OCC[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000173459269 198216416 /nfs/dbraw/zinc/21/64/16/198216416.db2.gz NKDQZOQATZCNBI-UHFFFAOYSA-N 1 1 306.318 2.707 20 5 DFBDMO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173464588 198217944 /nfs/dbraw/zinc/21/79/44/198217944.db2.gz FOGLGIRAMLIDPZ-SWLSCSKDSA-N 1 1 319.405 2.569 20 5 DFBDMO O=C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000173560522 198227299 /nfs/dbraw/zinc/22/72/99/198227299.db2.gz MLTQJZAWPVPEJZ-JSGCOSHPSA-N 1 1 303.362 2.798 20 5 DFBDMO CCc1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859774 398706191 /nfs/dbraw/zinc/70/61/91/398706191.db2.gz XMXSCTRUTIXUPB-CQSZACIVSA-N 1 1 319.405 2.760 20 5 DFBDMO Cc1ccc([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174874061 198395610 /nfs/dbraw/zinc/39/56/10/198395610.db2.gz MFGWRIISXICGNG-AWEZNQCLSA-N 1 1 304.350 2.920 20 5 DFBDMO COc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000277046827 213260292 /nfs/dbraw/zinc/26/02/92/213260292.db2.gz PUZZNRIPNXADBE-YPMHNXCESA-N 1 1 323.368 2.663 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597924915 398722279 /nfs/dbraw/zinc/72/22/79/398722279.db2.gz UZMQFPNQLXAYNX-LBPRGKRZSA-N 1 1 305.378 2.506 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000046992024 398730072 /nfs/dbraw/zinc/73/00/72/398730072.db2.gz AYLRKCIASUFZQR-AWEZNQCLSA-N 1 1 319.405 2.837 20 5 DFBDMO CCOc1cc(CN(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000276987841 213222156 /nfs/dbraw/zinc/22/21/56/213222156.db2.gz ZMSVKHSQKZVLKT-UHFFFAOYSA-N 1 1 307.394 2.520 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591151372 398732487 /nfs/dbraw/zinc/73/24/87/398732487.db2.gz KSJZGCGJSANNQY-AWEZNQCLSA-N 1 1 302.309 2.728 20 5 DFBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591151372 398732489 /nfs/dbraw/zinc/73/24/89/398732489.db2.gz KSJZGCGJSANNQY-AWEZNQCLSA-N 1 1 302.309 2.728 20 5 DFBDMO CCOC(=O)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000594052251 398732833 /nfs/dbraw/zinc/73/28/33/398732833.db2.gz SLROAIYXQOBUTH-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO CCOC(=O)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000594052251 398732836 /nfs/dbraw/zinc/73/28/36/398732836.db2.gz SLROAIYXQOBUTH-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCO)CCc1ccccc1 ZINC000112698593 398735510 /nfs/dbraw/zinc/73/55/10/398735510.db2.gz ICFNEOUTCHDVNH-UHFFFAOYSA-N 1 1 318.348 2.771 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCO)CCc1ccccc1 ZINC000112698593 398735517 /nfs/dbraw/zinc/73/55/17/398735517.db2.gz ICFNEOUTCHDVNH-UHFFFAOYSA-N 1 1 318.348 2.771 20 5 DFBDMO Cc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000047119615 398737361 /nfs/dbraw/zinc/73/73/61/398737361.db2.gz FSYLZWNNDYCOSF-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CC[N@@H+](CC)C1 ZINC000598041421 398741999 /nfs/dbraw/zinc/74/19/99/398741999.db2.gz UIRLHXHYXUXJNB-AWEZNQCLSA-N 1 1 319.405 2.768 20 5 DFBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000047323407 398744821 /nfs/dbraw/zinc/74/48/21/398744821.db2.gz YXEGGGICTVBNIA-UHFFFAOYSA-N 1 1 317.349 2.620 20 5 DFBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047676706 398757105 /nfs/dbraw/zinc/75/71/05/398757105.db2.gz IBUAFZOXQKILET-UHFFFAOYSA-N 1 1 322.752 2.573 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000080160971 192008475 /nfs/dbraw/zinc/00/84/75/192008475.db2.gz YBWLKKDVZIHJRF-ZDUSSCGKSA-N 1 1 320.393 2.709 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000047794790 398761074 /nfs/dbraw/zinc/76/10/74/398761074.db2.gz GFDPDSHFBJJGTO-CQSZACIVSA-N 1 1 321.377 2.614 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000047794790 398761077 /nfs/dbraw/zinc/76/10/77/398761077.db2.gz GFDPDSHFBJJGTO-CQSZACIVSA-N 1 1 321.377 2.614 20 5 DFBDMO Cc1cccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594199264 398764301 /nfs/dbraw/zinc/76/43/01/398764301.db2.gz ITCYHRGERCJEHL-GJZGRUSLSA-N 1 1 317.389 2.650 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000074772846 398765521 /nfs/dbraw/zinc/76/55/21/398765521.db2.gz HNZVFLARSHOTSG-CYBMUJFWSA-N 1 1 307.369 2.902 20 5 DFBDMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000594203898 398765562 /nfs/dbraw/zinc/76/55/62/398765562.db2.gz VIWAJNDHEAQGRD-HZPDHXFCSA-N 1 1 317.389 2.650 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000591480110 398767594 /nfs/dbraw/zinc/76/75/94/398767594.db2.gz FEDCYOWEKPOXGT-HNNXBMFYSA-N 1 1 320.389 2.743 20 5 DFBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598218517 398772608 /nfs/dbraw/zinc/77/26/08/398772608.db2.gz HAGWWKCGULZMRW-AWEZNQCLSA-N 1 1 317.389 2.732 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598218518 398772981 /nfs/dbraw/zinc/77/29/81/398772981.db2.gz HAGWWKCGULZMRW-CQSZACIVSA-N 1 1 317.389 2.732 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCC[NH2+]C1CC1 ZINC000591577312 398773204 /nfs/dbraw/zinc/77/32/04/398773204.db2.gz OUPVVBNTVHUDFE-CJNGLKHVSA-N 1 1 303.406 2.648 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568255 192292642 /nfs/dbraw/zinc/29/26/42/192292642.db2.gz YOXXAEHMHRBWEQ-OAHLLOKOSA-N 1 1 321.421 2.637 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000135279857 283214105 /nfs/dbraw/zinc/21/41/05/283214105.db2.gz SIAWVVKBOHTVPQ-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1cc(C[N@@H+](CC)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000276884774 213155151 /nfs/dbraw/zinc/15/51/51/213155151.db2.gz JERBNUJNJJIAGC-CQSZACIVSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276859366 213138177 /nfs/dbraw/zinc/13/81/77/213138177.db2.gz GCGDSIMQJNPCCH-AWEZNQCLSA-N 1 1 308.378 2.852 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000276856087 213136212 /nfs/dbraw/zinc/13/62/12/213136212.db2.gz FOVXCQUBHSOPCW-HNNXBMFYSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1cc(C[NH2+][C@@H](CCO)c2ccco2)ccc1[N+](=O)[O-] ZINC000276846672 213130418 /nfs/dbraw/zinc/13/04/18/213130418.db2.gz CYZCJZNXGSDVSF-ZDUSSCGKSA-N 1 1 320.345 2.800 20 5 DFBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000050995338 398815716 /nfs/dbraw/zinc/81/57/16/398815716.db2.gz RVPHJFLOAGVTGS-HNNXBMFYSA-N 1 1 319.405 2.641 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000598466197 398817836 /nfs/dbraw/zinc/81/78/36/398817836.db2.gz NKRTYMUCYFBJOB-UHFFFAOYSA-N 1 1 313.423 2.815 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000598466168 398817884 /nfs/dbraw/zinc/81/78/84/398817884.db2.gz MMUCORKBRNZXFF-UHFFFAOYSA-N 1 1 307.394 2.753 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000075712464 398818447 /nfs/dbraw/zinc/81/84/47/398818447.db2.gz NNXIFYYIRKYPJR-STQMWFEESA-N 1 1 306.362 2.741 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594596988 398827682 /nfs/dbraw/zinc/82/76/82/398827682.db2.gz BTIWZXZDVJEGSR-QWHCGFSZSA-N 1 1 307.398 2.548 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594592263 398825590 /nfs/dbraw/zinc/82/55/90/398825590.db2.gz OXNLCNKKVNVUTD-MCIONIFRSA-N 1 1 322.409 2.516 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594592263 398825594 /nfs/dbraw/zinc/82/55/94/398825594.db2.gz OXNLCNKKVNVUTD-MCIONIFRSA-N 1 1 322.409 2.516 20 5 DFBDMO Cc1cc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594592540 398826358 /nfs/dbraw/zinc/82/63/58/398826358.db2.gz QRORKAXSXSSRMG-MCIONIFRSA-N 1 1 307.394 2.813 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179888822 199091640 /nfs/dbraw/zinc/09/16/40/199091640.db2.gz QZMBHYKJXCMGDX-GBXSZLQWSA-N 1 1 304.346 2.636 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)nc2c1 ZINC000594599335 398828595 /nfs/dbraw/zinc/82/85/95/398828595.db2.gz JGUNYOZCRIIIMT-UKRRQHHQSA-N 1 1 315.377 2.900 20 5 DFBDMO Cc1[nH+]ccn1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000052136587 398833479 /nfs/dbraw/zinc/83/34/79/398833479.db2.gz KVCUAGIKAMWEBW-UHFFFAOYSA-N 1 1 323.740 2.575 20 5 DFBDMO C[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180188589 199128875 /nfs/dbraw/zinc/12/88/75/199128875.db2.gz XSXPGHXPALJFCI-MRXNPFEDSA-N 1 1 302.330 2.812 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000598647515 398847584 /nfs/dbraw/zinc/84/75/84/398847584.db2.gz NGAWINSLWHWSQK-AWEZNQCLSA-N 1 1 308.378 2.586 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598678385 398854255 /nfs/dbraw/zinc/85/42/55/398854255.db2.gz XDZPKHYTUMYJCZ-AFYSSFTJSA-N 1 1 304.390 2.948 20 5 DFBDMO CCCN(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)CCC)c1 ZINC000153146859 283354788 /nfs/dbraw/zinc/35/47/88/283354788.db2.gz VLMRQLXSANLSGM-UHFFFAOYSA-N 1 1 322.409 2.721 20 5 DFBDMO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594926847 398873226 /nfs/dbraw/zinc/87/32/26/398873226.db2.gz VVDRABVGZWNVJG-UHFFFAOYSA-N 1 1 314.267 2.637 20 5 DFBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000053580473 398878014 /nfs/dbraw/zinc/87/80/14/398878014.db2.gz YKSGBGYEHBBLJN-JSGCOSHPSA-N 1 1 315.377 2.576 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000595006034 398890283 /nfs/dbraw/zinc/89/02/83/398890283.db2.gz FFZYEBBRDATMTO-OLZOCXBDSA-N 1 1 319.405 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000595013631 398891974 /nfs/dbraw/zinc/89/19/74/398891974.db2.gz QMZRULQYIIZFBU-APHBMKBZSA-N 1 1 319.405 2.881 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000595016030 398892435 /nfs/dbraw/zinc/89/24/35/398892435.db2.gz GJOPCVDYHNBTKJ-GXTWGEPZSA-N 1 1 319.405 2.738 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000595016030 398892436 /nfs/dbraw/zinc/89/24/36/398892436.db2.gz GJOPCVDYHNBTKJ-GXTWGEPZSA-N 1 1 319.405 2.738 20 5 DFBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000054286987 398894783 /nfs/dbraw/zinc/89/47/83/398894783.db2.gz WELQYGVGUSLKRG-ZDUSSCGKSA-N 1 1 319.405 2.835 20 5 DFBDMO CCc1ccc([C@@H]([NH2+][C@H]2C[C@H](O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595101997 398905522 /nfs/dbraw/zinc/90/55/22/398905522.db2.gz HEAMQQLBZRIYME-JDFRZJQESA-N 1 1 316.357 2.953 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000470204606 299293321 /nfs/dbraw/zinc/29/33/21/299293321.db2.gz AMYSNKNCUXGEPC-FCDZSPFESA-N 1 1 302.374 2.701 20 5 DFBDMO CCC[N@@H+](CC(=O)OC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470173707 299293572 /nfs/dbraw/zinc/29/35/72/299293572.db2.gz MRGZZDCHCGFSEC-UKTHLTGXSA-N 1 1 306.362 2.883 20 5 DFBDMO CCC[N@H+](CC(=O)OC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470173707 299293575 /nfs/dbraw/zinc/29/35/75/299293575.db2.gz MRGZZDCHCGFSEC-UKTHLTGXSA-N 1 1 306.362 2.883 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470182872 299293651 /nfs/dbraw/zinc/29/36/51/299293651.db2.gz OCPHWEHCRUBRIM-VEMDQMBVSA-N 1 1 318.373 2.883 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCc1cnccn1 ZINC000470216596 299293076 /nfs/dbraw/zinc/29/30/76/299293076.db2.gz TZILWVHGFKWTPJ-UVTDQMKNSA-N 1 1 312.373 2.963 20 5 DFBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000187523679 200123124 /nfs/dbraw/zinc/12/31/24/200123124.db2.gz GMMOQHGGELIDRJ-INIZCTEOSA-N 1 1 308.378 2.588 20 5 DFBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595288162 398916191 /nfs/dbraw/zinc/91/61/91/398916191.db2.gz KVQJOSYRNFHBJZ-GFCCVEGCSA-N 1 1 310.325 2.509 20 5 DFBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595288162 398916193 /nfs/dbraw/zinc/91/61/93/398916193.db2.gz KVQJOSYRNFHBJZ-GFCCVEGCSA-N 1 1 310.325 2.509 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599071853 398917171 /nfs/dbraw/zinc/91/71/71/398917171.db2.gz UULAXZRYFYXYFA-KBPBESRZSA-N 1 1 321.421 2.986 20 5 DFBDMO C[NH+](C)CCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595295997 398917658 /nfs/dbraw/zinc/91/76/58/398917658.db2.gz VBMUZSPEYYOSJJ-UHFFFAOYSA-N 1 1 309.385 2.898 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595292924 398916716 /nfs/dbraw/zinc/91/67/16/398916716.db2.gz FWHAFUIDRGXAPT-UHFFFAOYSA-N 1 1 324.425 2.835 20 5 DFBDMO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000599085868 398918624 /nfs/dbraw/zinc/91/86/24/398918624.db2.gz HBFCPAGBFVHWBT-TXEJJXNPSA-N 1 1 300.362 2.672 20 5 DFBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](CCCF)CC1 ZINC000599094887 398920617 /nfs/dbraw/zinc/92/06/17/398920617.db2.gz ZZODQYFNTSKPLZ-UHFFFAOYSA-N 1 1 318.352 2.625 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595319962 398921864 /nfs/dbraw/zinc/92/18/64/398921864.db2.gz UWJXKWWTQMJDTN-WFASDCNBSA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595342503 398924369 /nfs/dbraw/zinc/92/43/69/398924369.db2.gz LOIWTBXAPXVDSX-HNNXBMFYSA-N 1 1 318.352 2.903 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000595343770 398924774 /nfs/dbraw/zinc/92/47/74/398924774.db2.gz DTBOUNJSOXHPSY-HNNXBMFYSA-N 1 1 324.352 2.504 20 5 DFBDMO C[N@H+]1CCCC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000599138636 398927239 /nfs/dbraw/zinc/92/72/39/398927239.db2.gz IBPCJMWWFXFGDP-JTQLQIEISA-N 1 1 321.406 2.743 20 5 DFBDMO CO[C@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCOC1 ZINC000595355079 398926611 /nfs/dbraw/zinc/92/66/11/398926611.db2.gz VOVCPMUVTDWEIS-RHSMWYFYSA-N 1 1 320.389 2.611 20 5 DFBDMO C[N@H+]1CCCC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000599140891 398927716 /nfs/dbraw/zinc/92/77/16/398927716.db2.gz JEJPDTVCXJVJNB-ZDUSSCGKSA-N 1 1 314.389 2.709 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000595386522 398930930 /nfs/dbraw/zinc/93/09/30/398930930.db2.gz DJXQLCHOPSDOFH-KRWDZBQOSA-N 1 1 316.332 2.658 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152465745 398931143 /nfs/dbraw/zinc/93/11/43/398931143.db2.gz LYDWINJZAPTBPE-ZDUSSCGKSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152465745 398931148 /nfs/dbraw/zinc/93/11/48/398931148.db2.gz LYDWINJZAPTBPE-ZDUSSCGKSA-N 1 1 317.320 2.782 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599164698 398932490 /nfs/dbraw/zinc/93/24/90/398932490.db2.gz KAEAGHALIGNYAR-CYBMUJFWSA-N 1 1 307.398 2.548 20 5 DFBDMO Cc1cc(N2CCC[N@H+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000077990099 398933271 /nfs/dbraw/zinc/93/32/71/398933271.db2.gz ARGUUSXKMPCKBC-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595424197 398935591 /nfs/dbraw/zinc/93/55/91/398935591.db2.gz ULKDHIOTESVIJX-OLZOCXBDSA-N 1 1 309.366 2.530 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000281227781 216169560 /nfs/dbraw/zinc/16/95/60/216169560.db2.gz KTYGJEDEKQBQOY-CYBMUJFWSA-N 1 1 309.322 2.504 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000281227781 216169564 /nfs/dbraw/zinc/16/95/64/216169564.db2.gz KTYGJEDEKQBQOY-CYBMUJFWSA-N 1 1 309.322 2.504 20 5 DFBDMO Cc1noc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1[N+](=O)[O-] ZINC000595512844 398954973 /nfs/dbraw/zinc/95/49/73/398954973.db2.gz WLXFOKMWQFZHHJ-LKFCYVNXSA-N 1 1 323.374 2.745 20 5 DFBDMO C[N@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000078419785 398955236 /nfs/dbraw/zinc/95/52/36/398955236.db2.gz DDYWDUXXWFAZLZ-HFTRVMKXSA-N 1 1 324.384 2.729 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@H](CC)C1 ZINC000281342382 216235175 /nfs/dbraw/zinc/23/51/75/216235175.db2.gz STFHMOHOXRHMPF-OAHLLOKOSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@H](CC)C1 ZINC000281342382 216235177 /nfs/dbraw/zinc/23/51/77/216235177.db2.gz STFHMOHOXRHMPF-OAHLLOKOSA-N 1 1 308.378 2.994 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000613383107 398967438 /nfs/dbraw/zinc/96/74/38/398967438.db2.gz UDRBUVUJBZCZHB-MRVPVSSYSA-N 1 1 304.268 2.830 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])cc1F ZINC000613383107 398967445 /nfs/dbraw/zinc/96/74/45/398967445.db2.gz UDRBUVUJBZCZHB-MRVPVSSYSA-N 1 1 304.268 2.830 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292722881 223218639 /nfs/dbraw/zinc/21/86/39/223218639.db2.gz HOXUXEYPQFGDPL-QGZVFWFLSA-N 1 1 319.405 2.663 20 5 DFBDMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000193295711 201023607 /nfs/dbraw/zinc/02/36/07/201023607.db2.gz XHZCXFUFPZKVLP-YHWZYXNKSA-N 1 1 309.797 2.963 20 5 DFBDMO Nc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000193382688 201043157 /nfs/dbraw/zinc/04/31/57/201043157.db2.gz KFIWFJBBIMUGFX-UHFFFAOYSA-N 1 1 312.373 2.647 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595569610 398977762 /nfs/dbraw/zinc/97/77/62/398977762.db2.gz ZZEVAAIYYVAILN-JSGCOSHPSA-N 1 1 304.346 2.756 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595569610 398977768 /nfs/dbraw/zinc/97/77/68/398977768.db2.gz ZZEVAAIYYVAILN-JSGCOSHPSA-N 1 1 304.346 2.756 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccoc1 ZINC000165857412 398992624 /nfs/dbraw/zinc/99/26/24/398992624.db2.gz MQEURAIABSXGFR-UHFFFAOYSA-N 1 1 317.345 2.957 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195308957 201376863 /nfs/dbraw/zinc/37/68/63/201376863.db2.gz QBIHSEJYMHVPCX-ZNMIVQPWSA-N 1 1 321.421 2.697 20 5 DFBDMO C[C@@H](CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCc2sccc2C1 ZINC000195508153 201396293 /nfs/dbraw/zinc/39/62/93/201396293.db2.gz BTSWJOZUXAOFEX-VIFPVBQESA-N 1 1 324.431 2.972 20 5 DFBDMO C[C@@H](CNc1ncc([N+](=O)[O-])s1)[N@H+]1CCc2sccc2C1 ZINC000195508153 201396296 /nfs/dbraw/zinc/39/62/96/201396296.db2.gz BTSWJOZUXAOFEX-VIFPVBQESA-N 1 1 324.431 2.972 20 5 DFBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000595631881 399011896 /nfs/dbraw/zinc/01/18/96/399011896.db2.gz LEPMPGMSWLBPIN-UHFFFAOYSA-N 1 1 314.389 2.627 20 5 DFBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000600227286 399013194 /nfs/dbraw/zinc/01/31/94/399013194.db2.gz AFBNQFKRVAJOCG-AWEZNQCLSA-N 1 1 317.389 2.732 20 5 DFBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595671378 399027754 /nfs/dbraw/zinc/02/77/54/399027754.db2.gz FEAJWQSVLNHMTI-RHSMWYFYSA-N 1 1 322.405 2.847 20 5 DFBDMO COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)CO)cc1[N+](=O)[O-] ZINC000595671443 399027818 /nfs/dbraw/zinc/02/78/18/399027818.db2.gz GLUFFCLRIKTOOP-OCCSQVGLSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600312333 399030958 /nfs/dbraw/zinc/03/09/58/399030958.db2.gz FGDOUHPHTYLOTH-ZIAGYGMSSA-N 1 1 319.405 2.546 20 5 DFBDMO CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000599639127 399039005 /nfs/dbraw/zinc/03/90/05/399039005.db2.gz YYBNJFQHNXVCQH-WMLDXEAASA-N 1 1 320.389 2.588 20 5 DFBDMO C[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595701116 399044235 /nfs/dbraw/zinc/04/42/35/399044235.db2.gz PWHFWUBJPCWGLG-WMLDXEAASA-N 1 1 322.405 2.847 20 5 DFBDMO C[N@@H+](CCC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000613639099 399046505 /nfs/dbraw/zinc/04/65/05/399046505.db2.gz HVLUQRNREQWOBX-UHFFFAOYSA-N 1 1 319.405 2.866 20 5 DFBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000057714699 399057823 /nfs/dbraw/zinc/05/78/23/399057823.db2.gz QKKUXAAVHUTATR-JTQLQIEISA-N 1 1 323.418 2.529 20 5 DFBDMO Cc1sc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600471226 399058413 /nfs/dbraw/zinc/05/84/13/399058413.db2.gz KALAYIZYEZYWKC-LBPRGKRZSA-N 1 1 323.418 2.711 20 5 DFBDMO COC[C@@]1(C)C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599691400 399066279 /nfs/dbraw/zinc/06/62/79/399066279.db2.gz BBTNUBDQXWTSRF-CZUORRHYSA-N 1 1 308.378 2.702 20 5 DFBDMO COC[C@@]1(C)C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599691400 399066282 /nfs/dbraw/zinc/06/62/82/399066282.db2.gz BBTNUBDQXWTSRF-CZUORRHYSA-N 1 1 308.378 2.702 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCF)C1 ZINC000595755264 399069769 /nfs/dbraw/zinc/06/97/69/399069769.db2.gz JXFTTXWQEKSDTI-QWHCGFSZSA-N 1 1 323.368 2.993 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301457492 284028177 /nfs/dbraw/zinc/02/81/77/284028177.db2.gz NDXLVTAUCUEPCW-LLVKDONJSA-N 1 1 323.422 2.615 20 5 DFBDMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595785182 399083423 /nfs/dbraw/zinc/08/34/23/399083423.db2.gz WEQBNSLELICFBR-KFWWJZLASA-N 1 1 322.405 2.845 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000332222207 284061390 /nfs/dbraw/zinc/06/13/90/284061390.db2.gz AUAMIMDCPDHDLY-ZIAGYGMSSA-N 1 1 323.780 2.605 20 5 DFBDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595856287 399114888 /nfs/dbraw/zinc/11/48/88/399114888.db2.gz AHKUCXGZLYBIME-DKUMPPAJSA-N 1 1 320.389 2.597 20 5 DFBDMO COCCCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000419398229 296139913 /nfs/dbraw/zinc/13/99/13/296139913.db2.gz ZCNCFARNQCAAHZ-UHFFFAOYSA-N 1 1 320.349 2.503 20 5 DFBDMO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000060207905 399118560 /nfs/dbraw/zinc/11/85/60/399118560.db2.gz GVWVRRZJQNZHIZ-CQSZACIVSA-N 1 1 319.405 2.753 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340191548 284156732 /nfs/dbraw/zinc/15/67/32/284156732.db2.gz IOKOHNZVBCOORP-STQMWFEESA-N 1 1 318.295 2.873 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340191548 284156733 /nfs/dbraw/zinc/15/67/33/284156733.db2.gz IOKOHNZVBCOORP-STQMWFEESA-N 1 1 318.295 2.873 20 5 DFBDMO CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282341677 216923926 /nfs/dbraw/zinc/92/39/26/216923926.db2.gz BYDMXBUYJSEGIA-ZDUSSCGKSA-N 1 1 321.421 2.762 20 5 DFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595905974 399130768 /nfs/dbraw/zinc/13/07/68/399130768.db2.gz YZUNCTUWGQEOIQ-CALCHBBNSA-N 1 1 302.374 2.987 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000595907637 399130830 /nfs/dbraw/zinc/13/08/30/399130830.db2.gz CCRXEBMRJBJDID-CALCHBBNSA-N 1 1 302.374 2.987 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271748003 209179382 /nfs/dbraw/zinc/17/93/82/209179382.db2.gz XYCFZBFNZBMATH-CYBMUJFWSA-N 1 1 322.409 2.687 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000595908326 399131659 /nfs/dbraw/zinc/13/16/59/399131659.db2.gz HMWKGWYGIQISFA-LBPRGKRZSA-N 1 1 305.378 2.820 20 5 DFBDMO [NH3+]C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000600789998 399148407 /nfs/dbraw/zinc/14/84/07/399148407.db2.gz WCTZCBWMAVJADN-UHFFFAOYSA-N 1 1 312.373 2.580 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000264794010 204160134 /nfs/dbraw/zinc/16/01/34/204160134.db2.gz SLKBJWNKPNIJOQ-CQSZACIVSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000080535256 399157219 /nfs/dbraw/zinc/15/72/19/399157219.db2.gz DSQPIQQYDWBMFW-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO CC[C@@H](NC(=O)C[N@@H+](C)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000600825699 399156421 /nfs/dbraw/zinc/15/64/21/399156421.db2.gz UFSDNUWGVLCGBF-OAHLLOKOSA-N 1 1 305.378 2.646 20 5 DFBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cscn1 ZINC000341515259 284268190 /nfs/dbraw/zinc/26/81/90/284268190.db2.gz NRJFDVBWDIFNAT-JTQLQIEISA-N 1 1 320.374 2.558 20 5 DFBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C2CCC2)CC1 ZINC000265067471 204375541 /nfs/dbraw/zinc/37/55/41/204375541.db2.gz NBTVUHICAWYWPK-UHFFFAOYSA-N 1 1 323.780 2.559 20 5 DFBDMO Cc1nccn1CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282554045 217085225 /nfs/dbraw/zinc/08/52/25/217085225.db2.gz XMOYDLUBTBSIBM-UHFFFAOYSA-N 1 1 302.378 2.664 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1 ZINC000282560582 217090633 /nfs/dbraw/zinc/09/06/33/217090633.db2.gz YHERGBOPFZMFOB-QGZVFWFLSA-N 1 1 300.358 2.803 20 5 DFBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596098766 399172634 /nfs/dbraw/zinc/17/26/34/399172634.db2.gz MRHKWXNHPIWCSY-GFCCVEGCSA-N 1 1 308.382 2.762 20 5 DFBDMO COCCCn1nccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000282578014 217100849 /nfs/dbraw/zinc/10/08/49/217100849.db2.gz FWSRJGVAUJEZGL-CYBMUJFWSA-N 1 1 318.377 2.679 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCCC[C@H]2CCO)c1 ZINC000342029598 284311132 /nfs/dbraw/zinc/31/11/32/284311132.db2.gz GWJGNMGTVFXRGP-AWEZNQCLSA-N 1 1 308.378 2.601 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCCC[C@H]3CCO)nc2c1 ZINC000342049972 284316170 /nfs/dbraw/zinc/31/61/70/284316170.db2.gz QKEGNQNXQQPTGB-LBPRGKRZSA-N 1 1 318.377 2.598 20 5 DFBDMO C[N@H+]1CC[C@@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596112141 399177040 /nfs/dbraw/zinc/17/70/40/399177040.db2.gz HWVWYPYRBWLXBR-VIFPVBQESA-N 1 1 314.183 2.721 20 5 DFBDMO CCCN(CCC)C(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271712377 209147546 /nfs/dbraw/zinc/14/75/46/209147546.db2.gz JFAUQIFDXHSNCH-CYBMUJFWSA-N 1 1 307.394 2.894 20 5 DFBDMO C[C@@H]1CCCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614251755 399190413 /nfs/dbraw/zinc/19/04/13/399190413.db2.gz TVXWUKMETLESTL-GFCCVEGCSA-N 1 1 306.362 2.988 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000015466944 182004198 /nfs/dbraw/zinc/00/41/98/182004198.db2.gz GSLZANHCJZWLMX-TXEJJXNPSA-N 1 1 305.378 2.820 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018182181 182097050 /nfs/dbraw/zinc/09/70/50/182097050.db2.gz SPBQZGVGQUNOPN-ZDUSSCGKSA-N 1 1 320.393 2.981 20 5 DFBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267110010 205818201 /nfs/dbraw/zinc/81/82/01/205818201.db2.gz XARPSNJBJABLQN-GDBMZVCRSA-N 1 1 314.389 2.744 20 5 DFBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000601132107 399236471 /nfs/dbraw/zinc/23/64/71/399236471.db2.gz AMGMPZVSXYGTMX-FZMZJTMJSA-N 1 1 320.368 2.582 20 5 DFBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000064915957 399234901 /nfs/dbraw/zinc/23/49/01/399234901.db2.gz YKSGBGYEHBBLJN-TZMCWYRMSA-N 1 1 315.377 2.576 20 5 DFBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000267437706 206066925 /nfs/dbraw/zinc/06/69/25/206066925.db2.gz OEHDEGHHHQJHTL-ZDUSSCGKSA-N 1 1 306.362 2.758 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601139576 399239184 /nfs/dbraw/zinc/23/91/84/399239184.db2.gz GDOWCLUAUADNRT-YVEFUNNKSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000601139574 399239243 /nfs/dbraw/zinc/23/92/43/399239243.db2.gz GDOWCLUAUADNRT-SJCJKPOMSA-N 1 1 312.373 2.673 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H]3CCO[C@@H](C4CC4)C3)c2c1 ZINC000601143773 399240361 /nfs/dbraw/zinc/24/03/61/399240361.db2.gz KCVKKMHVTGYUPV-YVEFUNNKSA-N 1 1 313.357 2.934 20 5 DFBDMO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000601198950 399253396 /nfs/dbraw/zinc/25/33/96/399253396.db2.gz KCGHEHAAFSXYEK-GFCCVEGCSA-N 1 1 308.357 2.663 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H](CCO)CC2)ccc1[N+](=O)[O-] ZINC000421023085 296227549 /nfs/dbraw/zinc/22/75/49/296227549.db2.gz VVYKKKICLCJMKP-ZDUSSCGKSA-N 1 1 308.378 2.588 20 5 DFBDMO CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000601281976 399270010 /nfs/dbraw/zinc/27/00/10/399270010.db2.gz YCBXXVSVAHSYMA-PMPSAXMXSA-N 1 1 319.405 2.892 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000421472485 296258345 /nfs/dbraw/zinc/25/83/45/296258345.db2.gz FQNGRDMVOJGZJX-HIFRSBDPSA-N 1 1 319.405 2.624 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000421513416 296262001 /nfs/dbraw/zinc/26/20/01/296262001.db2.gz FFSNHNMCDARMFQ-DZGCQCFKSA-N 1 1 319.405 2.670 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601586998 399304401 /nfs/dbraw/zinc/30/44/01/399304401.db2.gz PKJFMQWZLJBDQU-LLVKDONJSA-N 1 1 311.357 2.584 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000609204295 399309454 /nfs/dbraw/zinc/30/94/54/399309454.db2.gz FCJGVMQYMHNMLT-AWEZNQCLSA-N 1 1 322.405 2.976 20 5 DFBDMO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)CO1 ZINC000609671855 399329737 /nfs/dbraw/zinc/32/97/37/399329737.db2.gz LVKIJNVDJRMECI-UHFFFAOYSA-N 1 1 308.378 2.863 20 5 DFBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C(F)F ZINC000619432047 399344978 /nfs/dbraw/zinc/34/49/78/399344978.db2.gz GSKFTMHMKWCNAM-VIFPVBQESA-N 1 1 315.320 2.945 20 5 DFBDMO Cc1[nH+]ccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000610279736 399353411 /nfs/dbraw/zinc/35/34/11/399353411.db2.gz KDLCDSAORZRRAQ-CYBMUJFWSA-N 1 1 301.350 2.645 20 5 DFBDMO CCC(=O)c1ccc(N[C@@H]2C[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000619484865 399352708 /nfs/dbraw/zinc/35/27/08/399352708.db2.gz KKEYXSHDXJNXPL-SMDDNHRTSA-N 1 1 305.378 2.940 20 5 DFBDMO CC1=C(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619509502 399355562 /nfs/dbraw/zinc/35/55/62/399355562.db2.gz VOPFTHZCTNYUSJ-UHFFFAOYSA-N 1 1 304.346 2.908 20 5 DFBDMO CC1=C(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000619509502 399355564 /nfs/dbraw/zinc/35/55/64/399355564.db2.gz VOPFTHZCTNYUSJ-UHFFFAOYSA-N 1 1 304.346 2.908 20 5 DFBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531338 399358546 /nfs/dbraw/zinc/35/85/46/399358546.db2.gz PSIUKXXBQQHZOG-CYBMUJFWSA-N 1 1 322.361 2.521 20 5 DFBDMO CCc1ccc(C(=O)N2CCC[N@H+](C)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000619566947 399362891 /nfs/dbraw/zinc/36/28/91/399362891.db2.gz BSOCTWBALMEBAR-OAHLLOKOSA-N 1 1 319.405 2.714 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000610369512 399361810 /nfs/dbraw/zinc/36/18/10/399361810.db2.gz HWWXYLOWVUZGBZ-KBPBESRZSA-N 1 1 317.389 2.743 20 5 DFBDMO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000284923798 218237493 /nfs/dbraw/zinc/23/74/93/218237493.db2.gz UVLCQJMKEIIGRO-HYVNUMGLSA-N 1 1 320.389 2.611 20 5 DFBDMO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000284923798 218237495 /nfs/dbraw/zinc/23/74/95/218237495.db2.gz UVLCQJMKEIIGRO-HYVNUMGLSA-N 1 1 320.389 2.611 20 5 DFBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610453349 399369695 /nfs/dbraw/zinc/36/96/95/399369695.db2.gz UJFHHUAPPRHOOM-MRXNPFEDSA-N 1 1 300.362 2.801 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601969883 399371342 /nfs/dbraw/zinc/37/13/42/399371342.db2.gz MPLMSPPYDFJNJK-DOMZBBRYSA-N 1 1 305.378 2.599 20 5 DFBDMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000105900293 194164213 /nfs/dbraw/zinc/16/42/13/194164213.db2.gz QVBFBDGOTRFSIF-OAHLLOKOSA-N 1 1 300.362 2.937 20 5 DFBDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610485233 399372106 /nfs/dbraw/zinc/37/21/06/399372106.db2.gz VCMMGNSNFHUMKY-OAHLLOKOSA-N 1 1 300.362 2.801 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cn2cccn2)c(F)c1 ZINC000610476663 399371568 /nfs/dbraw/zinc/37/15/68/399371568.db2.gz TXSUXNYJYYQDKX-AWEZNQCLSA-N 1 1 304.325 2.595 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2Cn2cccn2)c(F)c1 ZINC000610476663 399371570 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323.780 2.559 20 5 DFBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@H]2C1 ZINC000110252922 194318476 /nfs/dbraw/zinc/31/84/76/194318476.db2.gz DCFOMIRNSDAZMJ-NSHDSACASA-N 1 1 323.780 2.559 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000111158488 194397454 /nfs/dbraw/zinc/39/74/54/194397454.db2.gz HEYCIGSDQZNAFK-QWHCGFSZSA-N 1 1 309.797 2.965 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000610785521 399406001 /nfs/dbraw/zinc/40/60/01/399406001.db2.gz ZTZHFDOBCYAOCV-GDBMZVCRSA-N 1 1 319.405 2.959 20 5 DFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616061957 399417628 /nfs/dbraw/zinc/41/76/28/399417628.db2.gz HXQUQEFGMTXLKB-NWDGAFQWSA-N 1 1 300.362 2.672 20 5 DFBDMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602437605 399444048 /nfs/dbraw/zinc/44/40/48/399444048.db2.gz ZQCYDDSCUQAQRK-HNNXBMFYSA-N 1 1 300.362 2.974 20 5 DFBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000602463234 399451462 /nfs/dbraw/zinc/45/14/62/399451462.db2.gz SXCPSCAGYHBDSC-NSHDSACASA-N 1 1 304.268 2.834 20 5 DFBDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000602463234 399451463 /nfs/dbraw/zinc/45/14/63/399451463.db2.gz SXCPSCAGYHBDSC-NSHDSACASA-N 1 1 304.268 2.834 20 5 DFBDMO CO[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602471963 399453510 /nfs/dbraw/zinc/45/35/10/399453510.db2.gz DOASQOILKWBZRO-NSHDSACASA-N 1 1 304.268 2.834 20 5 DFBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602471963 399453511 /nfs/dbraw/zinc/45/35/11/399453511.db2.gz DOASQOILKWBZRO-NSHDSACASA-N 1 1 304.268 2.834 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000611270112 399454570 /nfs/dbraw/zinc/45/45/70/399454570.db2.gz RRIJJLIFQZPGTE-LERPRCHQSA-N 1 1 312.373 2.969 20 5 DFBDMO C[C@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000602517297 399466484 /nfs/dbraw/zinc/46/64/84/399466484.db2.gz FVLAQCHQLXUGRZ-NSHDSACASA-N 1 1 315.329 2.612 20 5 DFBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000065533913 184362050 /nfs/dbraw/zinc/36/20/50/184362050.db2.gz TVFBXBZROGCRDT-UHFFFAOYSA-N 1 1 320.345 2.715 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602548362 399473388 /nfs/dbraw/zinc/47/33/88/399473388.db2.gz XANFLDGHOODQSN-CYBMUJFWSA-N 1 1 318.377 2.700 20 5 DFBDMO CCN1CCCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602548362 399473390 /nfs/dbraw/zinc/47/33/90/399473390.db2.gz XANFLDGHOODQSN-CYBMUJFWSA-N 1 1 318.377 2.700 20 5 DFBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501335 399482408 /nfs/dbraw/zinc/48/24/08/399482408.db2.gz ARWAXONDGDDPHH-FZMZJTMJSA-N 1 1 309.341 2.603 20 5 DFBDMO COC(=O)c1[nH]c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000602583915 399483264 /nfs/dbraw/zinc/48/32/64/399483264.db2.gz VOFGMUUJWXLCNN-NSHDSACASA-N 1 1 317.345 2.869 20 5 DFBDMO CCOc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000611510285 399485281 /nfs/dbraw/zinc/48/52/81/399485281.db2.gz GXAFIBUQKHZNDO-IUODEOHRSA-N 1 1 305.378 2.524 20 5 DFBDMO Cc1ccc(NC(=O)Cn2cc[nH+]c2C(C)C)cc1[N+](=O)[O-] ZINC000611537576 399489620 /nfs/dbraw/zinc/48/96/20/399489620.db2.gz DBTLTNQWHBXSOS-UHFFFAOYSA-N 1 1 302.334 2.862 20 5 DFBDMO Cc1cc(C)cc([C@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)c1 ZINC000602607196 399488328 /nfs/dbraw/zinc/48/83/28/399488328.db2.gz IJFCKQWACVMNIC-AWEZNQCLSA-N 1 1 314.389 2.935 20 5 DFBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602606314 399488641 /nfs/dbraw/zinc/48/86/41/399488641.db2.gz OWZIJGOQPVBZPX-ZJUUUORDSA-N 1 1 318.295 2.816 20 5 DFBDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602626063 399494967 /nfs/dbraw/zinc/49/49/67/399494967.db2.gz XLODZWNNZLMDOJ-ZDUSSCGKSA-N 1 1 318.295 2.960 20 5 DFBDMO COC(=O)[C@H]1CCCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000611575581 399495339 /nfs/dbraw/zinc/49/53/39/399495339.db2.gz NOSQABPWHPGMMG-OAHLLOKOSA-N 1 1 306.362 2.555 20 5 DFBDMO COC(=O)[C@H]1CCCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000611575581 399495341 /nfs/dbraw/zinc/49/53/41/399495341.db2.gz NOSQABPWHPGMMG-OAHLLOKOSA-N 1 1 306.362 2.555 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000611580510 399496267 /nfs/dbraw/zinc/49/62/67/399496267.db2.gz XDKDZFOMUMIZRO-CYBMUJFWSA-N 1 1 300.305 2.841 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)nc2c1 ZINC000602653166 399503786 /nfs/dbraw/zinc/50/37/86/399503786.db2.gz NALIWGLFRRIEQZ-ZFWWWQNUSA-N 1 1 317.345 2.879 20 5 DFBDMO CO[C@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000602657414 399505056 /nfs/dbraw/zinc/50/50/56/399505056.db2.gz GFQAIXDWQGTHPT-QGZVFWFLSA-N 1 1 322.405 2.511 20 5 DFBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000602661576 399507480 /nfs/dbraw/zinc/50/74/80/399507480.db2.gz FQHPXARSUNGHPV-CYBMUJFWSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@@H]1CCSCC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000616743343 399509100 /nfs/dbraw/zinc/50/91/00/399509100.db2.gz NKCMXFQICUEXQY-LLVKDONJSA-N 1 1 324.402 2.693 20 5 DFBDMO [NH3+]C[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347069110 285011049 /nfs/dbraw/zinc/01/10/49/285011049.db2.gz ODLDFAQHBJBUEC-GFCCVEGCSA-N 1 1 301.346 2.635 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCn1cccn1 ZINC000347359553 285013377 /nfs/dbraw/zinc/01/33/77/285013377.db2.gz IBKXPRRFJUBANK-SDNWHVSQSA-N 1 1 300.362 2.827 20 5 DFBDMO CC(=O)N[C@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347373169 285019713 /nfs/dbraw/zinc/01/97/13/285019713.db2.gz WRIXVLHCRLQPSE-OVHOFWQVSA-N 1 1 317.389 2.599 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668059 399511674 /nfs/dbraw/zinc/51/16/74/399511674.db2.gz SIDMOAGHQBMQJS-RISCZKNCSA-N 1 1 318.377 2.508 20 5 DFBDMO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c21 ZINC000347401345 285034146 /nfs/dbraw/zinc/03/41/46/285034146.db2.gz CUZLAEIEMPLALP-RYUDHWBXSA-N 1 1 313.361 2.577 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347413338 285041804 /nfs/dbraw/zinc/04/18/04/285041804.db2.gz UBMQHFVSTMQYGQ-YPMHNXCESA-N 1 1 315.377 2.679 20 5 DFBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687014 399520860 /nfs/dbraw/zinc/52/08/60/399520860.db2.gz UEIHVHMCUXKKLU-SKDRFNHKSA-N 1 1 318.295 2.816 20 5 DFBDMO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCOC1 ZINC000602697283 399525441 /nfs/dbraw/zinc/52/54/41/399525441.db2.gz FNDMRXQAFDNFDZ-LBPRGKRZSA-N 1 1 305.334 2.737 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000270144497 208204173 /nfs/dbraw/zinc/20/41/73/208204173.db2.gz QEXIJMKQIGWGKF-SWLSCSKDSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602704183 399530257 /nfs/dbraw/zinc/53/02/57/399530257.db2.gz GIMSAFWJLOJPLI-SECBINFHSA-N 1 1 306.284 2.816 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269370616 285091926 /nfs/dbraw/zinc/09/19/26/285091926.db2.gz MBFZSFRNPUJTTA-VIFPVBQESA-N 1 1 307.741 2.750 20 5 DFBDMO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423012207 296367551 /nfs/dbraw/zinc/36/75/51/296367551.db2.gz KHUVNIAVDZKEQA-KSSFIOAISA-N 1 1 313.401 2.685 20 5 DFBDMO Cc1cnccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294578119 224099061 /nfs/dbraw/zinc/09/90/61/224099061.db2.gz PRWCREPQZUKHRQ-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000602735793 399548195 /nfs/dbraw/zinc/54/81/95/399548195.db2.gz KTYCIEFJQUHHPO-IOBAAEILSA-N 1 1 317.389 2.599 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](O)(CC)C1 ZINC000602741713 399551388 /nfs/dbraw/zinc/55/13/88/399551388.db2.gz TVPQMTKZIGEYCD-MRXNPFEDSA-N 1 1 308.378 2.730 20 5 DFBDMO C[C@@H]([NH3+])C[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423088476 296376696 /nfs/dbraw/zinc/37/66/96/296376696.db2.gz QGNPINZFCXGDQU-BDAKNGLRSA-N 1 1 305.300 2.829 20 5 DFBDMO CC(C)c1ccc(C[N@@H+]2CCSC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000602750518 399554957 /nfs/dbraw/zinc/55/49/57/399554957.db2.gz JLLOADRXAYLYMB-ZDUSSCGKSA-N 1 1 310.419 2.628 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CCSC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000602750518 399554961 /nfs/dbraw/zinc/55/49/61/399554961.db2.gz JLLOADRXAYLYMB-ZDUSSCGKSA-N 1 1 310.419 2.628 20 5 DFBDMO CN(c1c2c(ccc1[N+](=O)[O-])NCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286438111 218989081 /nfs/dbraw/zinc/98/90/81/218989081.db2.gz RCQMYFCYBXLAEI-FUNVUKJBSA-N 1 1 316.405 2.624 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286464163 219003019 /nfs/dbraw/zinc/00/30/19/219003019.db2.gz KOJZVQRYPPGWPA-FJFDNZNASA-N 1 1 324.327 2.728 20 5 DFBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286464163 219003021 /nfs/dbraw/zinc/00/30/21/219003021.db2.gz KOJZVQRYPPGWPA-FJFDNZNASA-N 1 1 324.327 2.728 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000602773262 399567356 /nfs/dbraw/zinc/56/73/56/399567356.db2.gz ZBMWHDWEMJJPFT-OAHLLOKOSA-N 1 1 314.389 2.898 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361594902 285154042 /nfs/dbraw/zinc/15/40/42/285154042.db2.gz LVGNIWIYCJZFRF-NSHDSACASA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000361594902 285154043 /nfs/dbraw/zinc/15/40/43/285154043.db2.gz LVGNIWIYCJZFRF-NSHDSACASA-N 1 1 306.753 2.892 20 5 DFBDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602783312 399571870 /nfs/dbraw/zinc/57/18/70/399571870.db2.gz KRTLXTMRZJKLIH-QWHCGFSZSA-N 1 1 312.439 2.706 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000602783435 399571912 /nfs/dbraw/zinc/57/19/12/399571912.db2.gz PGMHBRZJUUKGCJ-HNNXBMFYSA-N 1 1 322.409 2.523 20 5 DFBDMO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000298024670 285166174 /nfs/dbraw/zinc/16/61/74/285166174.db2.gz FAMBIGWPRWWKTR-RDJZCZTQSA-N 1 1 324.384 2.668 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000602787283 399573226 /nfs/dbraw/zinc/57/32/26/399573226.db2.gz PCHUAVLFTSEEEA-OAHLLOKOSA-N 1 1 315.377 2.640 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000602800778 399579916 /nfs/dbraw/zinc/57/99/16/399579916.db2.gz CGWJGMRKLGFDTK-MRXNPFEDSA-N 1 1 314.389 2.898 20 5 DFBDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157550244 197196576 /nfs/dbraw/zinc/19/65/76/197196576.db2.gz WTHCZKGEWNDZPP-JTQLQIEISA-N 1 1 310.304 2.763 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000602808648 399584046 /nfs/dbraw/zinc/58/40/46/399584046.db2.gz NIJSDXDOGUXBSP-IUODEOHRSA-N 1 1 315.377 2.578 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000156429061 197112996 /nfs/dbraw/zinc/11/29/96/197112996.db2.gz DLKIFTVUOXZLHM-BBRMVZONSA-N 1 1 300.362 2.874 20 5 DFBDMO O=[N+]([O-])c1ccccc1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846399 399599889 /nfs/dbraw/zinc/59/98/89/399599889.db2.gz PKUISRJVTLAJSK-UHFFFAOYSA-N 1 1 312.373 2.702 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](n2ccnn2)C1 ZINC000602866732 399609073 /nfs/dbraw/zinc/60/90/73/399609073.db2.gz UFKWOKOKOGLRDD-OCCSQVGLSA-N 1 1 301.350 2.503 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000602881935 399614778 /nfs/dbraw/zinc/61/47/78/399614778.db2.gz HKXGGAOIGYOXBO-UHFFFAOYSA-N 1 1 320.393 2.770 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000602886475 399615588 /nfs/dbraw/zinc/61/55/88/399615588.db2.gz RZAPMINXVARLPO-AWEZNQCLSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000602886475 399615592 /nfs/dbraw/zinc/61/55/92/399615592.db2.gz RZAPMINXVARLPO-AWEZNQCLSA-N 1 1 304.325 2.686 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292850553 533219088 /nfs/dbraw/zinc/21/90/88/533219088.db2.gz BTNCGJFVYXSRQW-KRWDZBQOSA-N 1 1 319.405 2.521 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000617196457 399627301 /nfs/dbraw/zinc/62/73/01/399627301.db2.gz MVIUUBSMXMXIKR-ZDUSSCGKSA-N 1 1 308.378 2.588 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000332527783 533220738 /nfs/dbraw/zinc/22/07/38/533220738.db2.gz TUNZFSDBGSWHNH-CJNGLKHVSA-N 1 1 319.405 2.662 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332527782 533221083 /nfs/dbraw/zinc/22/10/83/533221083.db2.gz TUNZFSDBGSWHNH-BBRMVZONSA-N 1 1 319.405 2.662 20 5 DFBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1[C@@H]1CCCO1 ZINC000289889667 221296416 /nfs/dbraw/zinc/29/64/16/221296416.db2.gz SIAJGDNXCJJCFB-JYJNAYRXSA-N 1 1 320.389 2.518 20 5 DFBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289996016 221368731 /nfs/dbraw/zinc/36/87/31/221368731.db2.gz YQSOPCMHXWAJKD-LLVKDONJSA-N 1 1 300.305 2.951 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000290000854 221372180 /nfs/dbraw/zinc/37/21/80/221372180.db2.gz TUIAISPIOCQXRI-HNNXBMFYSA-N 1 1 316.361 2.555 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000290000854 221372181 /nfs/dbraw/zinc/37/21/81/221372181.db2.gz TUIAISPIOCQXRI-HNNXBMFYSA-N 1 1 316.361 2.555 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000602999946 399655682 /nfs/dbraw/zinc/65/56/82/399655682.db2.gz PYDYZPSWJRXAMB-OAHLLOKOSA-N 1 1 319.405 2.659 20 5 DFBDMO CC[NH+](CC)Cc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000603217555 399712789 /nfs/dbraw/zinc/71/27/89/399712789.db2.gz JWBADKKFWHCGSK-UHFFFAOYSA-N 1 1 323.784 2.730 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000121066937 195289665 /nfs/dbraw/zinc/28/96/65/195289665.db2.gz AJKKJISZCCANBI-LBPRGKRZSA-N 1 1 315.377 2.644 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000121066937 195289667 /nfs/dbraw/zinc/28/96/67/195289667.db2.gz AJKKJISZCCANBI-LBPRGKRZSA-N 1 1 315.377 2.644 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603871788 399811358 /nfs/dbraw/zinc/81/13/58/399811358.db2.gz RQFKOGXDPBZBNH-UHFFFAOYSA-N 1 1 306.410 2.938 20 5 DFBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cccnc1[N+](=O)[O-] ZINC000309807184 543066169 /nfs/dbraw/zinc/06/61/69/543066169.db2.gz LPUDVHYGZCSNLT-CYBMUJFWSA-N 1 1 300.362 2.922 20 5 DFBDMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000613301992 399844342 /nfs/dbraw/zinc/84/43/42/399844342.db2.gz PVCGADYUSBMBNO-GXTWGEPZSA-N 1 1 320.393 2.673 20 5 DFBDMO Cc1occc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000604533026 399853337 /nfs/dbraw/zinc/85/33/37/399853337.db2.gz SHWHDNUSLFIKCJ-UHFFFAOYSA-N 1 1 304.302 2.557 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC000604554328 399855781 /nfs/dbraw/zinc/85/57/81/399855781.db2.gz PMMCFHAIBITGLZ-LLVKDONJSA-N 1 1 308.363 2.727 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC000604554328 399855782 /nfs/dbraw/zinc/85/57/82/399855782.db2.gz PMMCFHAIBITGLZ-LLVKDONJSA-N 1 1 308.363 2.727 20 5 DFBDMO Cc1nnc([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000604553967 399855159 /nfs/dbraw/zinc/85/51/59/399855159.db2.gz IDQQRSSJTWVGQJ-CQSZACIVSA-N 1 1 316.361 2.708 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000072897492 145191877 /nfs/dbraw/zinc/19/18/77/145191877.db2.gz STWOHZFODOIAMV-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)nc1 ZINC000245706127 146096390 /nfs/dbraw/zinc/09/63/90/146096390.db2.gz FBZBIPSEDVBWSV-ZIAGYGMSSA-N 1 1 302.378 2.832 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245902546 146108572 /nfs/dbraw/zinc/10/85/72/146108572.db2.gz LJJKMJYGIGAQBC-CHWSQXEVSA-N 1 1 305.378 2.901 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000246527155 146142512 /nfs/dbraw/zinc/14/25/12/146142512.db2.gz JJIQXOCCBXXZHE-GJZGRUSLSA-N 1 1 319.405 2.662 20 5 DFBDMO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000354512682 147064112 /nfs/dbraw/zinc/06/41/12/147064112.db2.gz TUDKIKMOCICJAZ-CYBMUJFWSA-N 1 1 321.768 2.753 20 5 DFBDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000354832831 147168746 /nfs/dbraw/zinc/16/87/46/147168746.db2.gz NRMLLRLIQMIIGE-NWDGAFQWSA-N 1 1 318.352 2.938 20 5 DFBDMO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355333867 147269884 /nfs/dbraw/zinc/26/98/84/147269884.db2.gz QYYOAXFZSZPWIL-CYBMUJFWSA-N 1 1 302.378 2.700 20 5 DFBDMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355333867 147269887 /nfs/dbraw/zinc/26/98/87/147269887.db2.gz QYYOAXFZSZPWIL-CYBMUJFWSA-N 1 1 302.378 2.700 20 5 DFBDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000355545557 147357745 /nfs/dbraw/zinc/35/77/45/147357745.db2.gz AAVMRPHPIDMQBP-HNNXBMFYSA-N 1 1 319.405 2.518 20 5 DFBDMO COC(=O)COc1ccc(C[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000355602895 147380217 /nfs/dbraw/zinc/38/02/17/147380217.db2.gz WHVLLVIDISVQAU-UHFFFAOYSA-N 1 1 322.361 2.521 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000357663779 148074952 /nfs/dbraw/zinc/07/49/52/148074952.db2.gz RNLFOCOHASYHLR-AWEZNQCLSA-N 1 1 307.394 2.816 20 5 DFBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000350304211 286026319 /nfs/dbraw/zinc/02/63/19/286026319.db2.gz YKSGBGYEHBBLJN-GXTWGEPZSA-N 1 1 315.377 2.576 20 5 DFBDMO C[C@H]1CCCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000358415737 148351656 /nfs/dbraw/zinc/35/16/56/148351656.db2.gz UJIWDONTEXDKSQ-DZGCQCFKSA-N 1 1 308.378 2.599 20 5 DFBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Cl)cc1 ZINC000350682426 286073337 /nfs/dbraw/zinc/07/33/37/286073337.db2.gz BTAJPGHPCSOLLU-UHFFFAOYSA-N 1 1 308.769 2.967 20 5 DFBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCOC1 ZINC000361250500 149065226 /nfs/dbraw/zinc/06/52/26/149065226.db2.gz KGJTWMSEHVLQFX-GFCCVEGCSA-N 1 1 316.304 2.807 20 5 DFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCOC1 ZINC000361250500 149065229 /nfs/dbraw/zinc/06/52/29/149065229.db2.gz KGJTWMSEHVLQFX-GFCCVEGCSA-N 1 1 316.304 2.807 20 5 DFBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361471162 149124083 /nfs/dbraw/zinc/12/40/83/149124083.db2.gz XNDYLUUBKFXXMF-ZDUSSCGKSA-N 1 1 319.386 2.705 20 5 DFBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361471162 149124084 /nfs/dbraw/zinc/12/40/84/149124084.db2.gz XNDYLUUBKFXXMF-ZDUSSCGKSA-N 1 1 319.386 2.705 20 5 DFBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCOC1 ZINC000361589344 149159941 /nfs/dbraw/zinc/15/99/41/149159941.db2.gz PGJGQHRTUJAAIW-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCOC1 ZINC000361589344 149159943 /nfs/dbraw/zinc/15/99/43/149159943.db2.gz PGJGQHRTUJAAIW-HNNXBMFYSA-N 1 1 308.378 2.993 20 5 DFBDMO CCOC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000361734840 149204402 /nfs/dbraw/zinc/20/44/02/149204402.db2.gz QRMFKKYUCKSZEH-UHFFFAOYSA-N 1 1 318.329 2.963 20 5 DFBDMO Cc1ccc(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000362742502 149355980 /nfs/dbraw/zinc/35/59/80/149355980.db2.gz RXUUILOTIMRNHW-HNNXBMFYSA-N 1 1 320.393 2.707 20 5 DFBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000372056566 150130862 /nfs/dbraw/zinc/13/08/62/150130862.db2.gz RJFSIPGEBKFRCY-IUODEOHRSA-N 1 1 314.389 2.786 20 5 DFBDMO Cn1ccnc1[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000373176576 150242029 /nfs/dbraw/zinc/24/20/29/150242029.db2.gz LVQFIGJVTAIOBR-OAHLLOKOSA-N 1 1 300.362 2.708 20 5 DFBDMO C[C@H]1C[C@@H](c2cccs2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000374064866 150300910 /nfs/dbraw/zinc/30/09/10/150300910.db2.gz KTUCZSRYSILOFF-NWDGAFQWSA-N 1 1 306.391 2.731 20 5 DFBDMO CCOCC[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000374062580 150301205 /nfs/dbraw/zinc/30/12/05/150301205.db2.gz CUMJDQSNLCMUPK-UHFFFAOYSA-N 1 1 305.378 2.611 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000375034768 150388956 /nfs/dbraw/zinc/38/89/56/150388956.db2.gz DHTZPXYMBLVDGP-DOMZBBRYSA-N 1 1 309.797 2.774 20 5 DFBDMO C[N@H+]1CCCC[C@@H]1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351909341 286242181 /nfs/dbraw/zinc/24/21/81/286242181.db2.gz UCZRSJILVALEMM-MRXNPFEDSA-N 1 1 303.406 2.827 20 5 DFBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000351942368 286251684 /nfs/dbraw/zinc/25/16/84/286251684.db2.gz FSHYNBYMSZSAOH-AWEZNQCLSA-N 1 1 308.378 2.852 20 5 DFBDMO CN(c1nc2ccccc2cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000352357379 286352082 /nfs/dbraw/zinc/35/20/82/286352082.db2.gz RAKMUUATVNAIOY-AWEZNQCLSA-N 1 1 312.373 2.816 20 5 DFBDMO Cc1nn(CC[N@H+](C)Cc2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000185679953 158068210 /nfs/dbraw/zinc/06/82/10/158068210.db2.gz ZCLZMNCETXTJNO-UHFFFAOYSA-N 1 1 306.341 2.679 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246483940 158093680 /nfs/dbraw/zinc/09/36/80/158093680.db2.gz QTLVGBDUEYUEDN-DOMZBBRYSA-N 1 1 320.393 2.753 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247029263 158113513 /nfs/dbraw/zinc/11/35/13/158113513.db2.gz DLKIFTVUOXZLHM-XJKSGUPXSA-N 1 1 300.362 2.874 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248638376 158192046 /nfs/dbraw/zinc/19/20/46/158192046.db2.gz QUZXSVTZDUESDL-DOTOQJQBSA-N 1 1 303.406 2.819 20 5 DFBDMO CC[N@@H+](CCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000355060436 158264240 /nfs/dbraw/zinc/26/42/40/158264240.db2.gz ICUJZOXPYOJXBR-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[N@@H+](CCC1CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355067265 158265367 /nfs/dbraw/zinc/26/53/67/158265367.db2.gz UQBDYVDFXDCSRH-INIZCTEOSA-N 1 1 317.389 2.822 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000358294521 158369187 /nfs/dbraw/zinc/36/91/87/158369187.db2.gz AATSGOYIKBTGAK-CYBMUJFWSA-N 1 1 307.394 2.753 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cccn3)CC2)cc1F ZINC000374774670 158809618 /nfs/dbraw/zinc/80/96/18/158809618.db2.gz BKGLPUQJRSUMLI-UHFFFAOYSA-N 1 1 304.325 2.768 20 5 DFBDMO CC1CCC([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000053781676 425888799 /nfs/dbraw/zinc/88/87/99/425888799.db2.gz MUWMNMBQIVBKFB-UHFFFAOYSA-N 1 1 305.378 2.704 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054129362 425889284 /nfs/dbraw/zinc/88/92/84/425889284.db2.gz IRSISNONCMMTDV-GFCCVEGCSA-N 1 1 323.368 2.728 20 5 DFBDMO COc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000133715105 196332675 /nfs/dbraw/zinc/33/26/75/196332675.db2.gz OKMJYQCPCDGNMT-OCCSQVGLSA-N 1 1 305.378 2.524 20 5 DFBDMO CCn1cc([C@@H](C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])cn1 ZINC000295945633 225403983 /nfs/dbraw/zinc/40/39/83/225403983.db2.gz GRZBNRVSFZUFHJ-SNVBAGLBSA-N 1 1 322.340 2.810 20 5 DFBDMO CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291185069 222205212 /nfs/dbraw/zinc/20/52/12/222205212.db2.gz OPZVYTVXHHEHAS-MRXNPFEDSA-N 1 1 323.368 2.770 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291303602 222299911 /nfs/dbraw/zinc/29/99/11/222299911.db2.gz QWMDIUPLIMSBNU-CYBMUJFWSA-N 1 1 306.753 2.892 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291303602 222299915 /nfs/dbraw/zinc/29/99/15/222299915.db2.gz QWMDIUPLIMSBNU-CYBMUJFWSA-N 1 1 306.753 2.892 20 5 DFBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000291332203 222319616 /nfs/dbraw/zinc/31/96/16/222319616.db2.gz VXLWJKOWQUSEBH-ZDUSSCGKSA-N 1 1 310.394 2.703 20 5 DFBDMO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000298024672 227782648 /nfs/dbraw/zinc/78/26/48/227782648.db2.gz FAMBIGWPRWWKTR-WBVHZDCISA-N 1 1 324.384 2.668 20 5 DFBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000302014240 230034274 /nfs/dbraw/zinc/03/42/74/230034274.db2.gz LDYROJLZDZSOMD-LLVKDONJSA-N 1 1 306.391 2.849 20 5 DFBDMO Cc1sc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000064737068 425901779 /nfs/dbraw/zinc/90/17/79/425901779.db2.gz XTSLKOFGWPESKC-VIFPVBQESA-N 1 1 322.390 2.536 20 5 DFBDMO COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1[N+](=O)[O-] ZINC000102411009 425920024 /nfs/dbraw/zinc/92/00/24/425920024.db2.gz UQGQGUFZBPIXCT-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000008351202 425667511 /nfs/dbraw/zinc/66/75/11/425667511.db2.gz LHNISHXFPFFFMM-CQSZACIVSA-N 1 1 319.405 2.518 20 5 DFBDMO Cc1cccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000047145434 425868333 /nfs/dbraw/zinc/86/83/33/425868333.db2.gz MMMAIAIOJCRJSB-CYBMUJFWSA-N 1 1 305.378 2.507 20 5 DFBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000047174318 425868408 /nfs/dbraw/zinc/86/84/08/425868408.db2.gz GFZMJVKSZYFNCX-UHFFFAOYSA-N 1 1 323.312 2.736 20 5 DFBDMO C[NH+](C)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000195304044 268132092 /nfs/dbraw/zinc/13/20/92/268132092.db2.gz JZGUNZCFMYLUKP-MRXNPFEDSA-N 1 1 313.357 2.514 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270692398 268201861 /nfs/dbraw/zinc/20/18/61/268201861.db2.gz GFAVNIQVIRBUPF-GXTWGEPZSA-N 1 1 323.780 2.605 20 5 DFBDMO CC[N@H+](Cc1ccncc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000270980692 268244768 /nfs/dbraw/zinc/24/47/68/268244768.db2.gz GDVVJGZUNWKHJR-MRXNPFEDSA-N 1 1 301.346 2.545 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278880319 268268248 /nfs/dbraw/zinc/26/82/48/268268248.db2.gz TUFJUSCOHWGNMT-ZWNOBZJWSA-N 1 1 318.295 2.903 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000105795597 425968915 /nfs/dbraw/zinc/96/89/15/425968915.db2.gz HUHZSBRIENDZIL-LBPRGKRZSA-N 1 1 301.350 2.590 20 5 DFBDMO CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000111254267 426041847 /nfs/dbraw/zinc/04/18/47/426041847.db2.gz QQHSHJIAXLXMHY-LBPRGKRZSA-N 1 1 323.393 2.910 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC2CCC2)cccc1[N+](=O)[O-] ZINC000111297894 426043827 /nfs/dbraw/zinc/04/38/27/426043827.db2.gz OJQWVULRRIMTNF-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000072897654 426020505 /nfs/dbraw/zinc/02/05/05/426020505.db2.gz GLLAFBICCXBBHW-CHWSQXEVSA-N 1 1 317.389 2.604 20 5 DFBDMO CC1(C)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000112701902 426089089 /nfs/dbraw/zinc/08/90/89/426089089.db2.gz QIOITNAZMDZLFI-UHFFFAOYSA-N 1 1 317.389 2.606 20 5 DFBDMO CC1(C)CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000112701902 426089092 /nfs/dbraw/zinc/08/90/92/426089092.db2.gz QIOITNAZMDZLFI-UHFFFAOYSA-N 1 1 317.389 2.606 20 5 DFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000113364792 426112529 /nfs/dbraw/zinc/11/25/29/426112529.db2.gz JPBRJWOHHOJCJW-CQSZACIVSA-N 1 1 320.393 2.981 20 5 DFBDMO CC[N@@H+](C)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113329379 426112862 /nfs/dbraw/zinc/11/28/62/426112862.db2.gz KTJFKYYHPOTHGG-UHFFFAOYSA-N 1 1 320.418 2.760 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000076478443 426113617 /nfs/dbraw/zinc/11/36/17/426113617.db2.gz YALOGASTWJCOLL-IAQYHMDHSA-N 1 1 323.368 2.536 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128524992 426121319 /nfs/dbraw/zinc/12/13/19/426121319.db2.gz KVPPFBMDILMLDL-RHSMWYFYSA-N 1 1 320.389 2.730 20 5 DFBDMO COCCC[N@@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000166771740 426128816 /nfs/dbraw/zinc/12/88/16/426128816.db2.gz WPTTWKVWQXZWAX-CQSZACIVSA-N 1 1 309.410 2.522 20 5 DFBDMO C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000127644821 426077589 /nfs/dbraw/zinc/07/75/89/426077589.db2.gz BMISHEPNXPKCRO-ZIAGYGMSSA-N 1 1 319.405 2.926 20 5 DFBDMO CCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000114724271 426143671 /nfs/dbraw/zinc/14/36/71/426143671.db2.gz XPNDHSSNXDZOGN-UHFFFAOYSA-N 1 1 305.378 2.680 20 5 DFBDMO CCOCCC[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521488 426166816 /nfs/dbraw/zinc/16/68/16/426166816.db2.gz XBLAWABBXXSSKU-KGLIPLIRSA-N 1 1 322.409 2.539 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000171708539 426205982 /nfs/dbraw/zinc/20/59/82/426205982.db2.gz ZYLSYXLHYIWHRB-KRWDZBQOSA-N 1 1 303.406 2.698 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000171708539 426205986 /nfs/dbraw/zinc/20/59/86/426205986.db2.gz ZYLSYXLHYIWHRB-KRWDZBQOSA-N 1 1 303.406 2.698 20 5 DFBDMO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000135488640 426220227 /nfs/dbraw/zinc/22/02/27/426220227.db2.gz HSZIFFMIHFHZKL-ZDUSSCGKSA-N 1 1 323.418 2.669 20 5 DFBDMO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000135488640 426220230 /nfs/dbraw/zinc/22/02/30/426220230.db2.gz HSZIFFMIHFHZKL-ZDUSSCGKSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000135570841 426222124 /nfs/dbraw/zinc/22/21/24/426222124.db2.gz SYCLCVSUYHAYJI-GJZGRUSLSA-N 1 1 308.403 2.610 20 5 DFBDMO Cc1nccn1CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000136313145 426239490 /nfs/dbraw/zinc/23/94/90/426239490.db2.gz MATPDMCLTNTZSE-UHFFFAOYSA-N 1 1 302.378 2.930 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118787601 426244651 /nfs/dbraw/zinc/24/46/51/426244651.db2.gz DJVTWDFQXHWDOB-CYBMUJFWSA-N 1 1 320.393 2.709 20 5 DFBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118850039 426247821 /nfs/dbraw/zinc/24/78/21/426247821.db2.gz NLZKOJYJHFKRMB-XUJVJEKNSA-N 1 1 317.389 2.847 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000118853096 426248615 /nfs/dbraw/zinc/24/86/15/426248615.db2.gz ANARAUODXRMVIZ-UHFFFAOYSA-N 1 1 316.361 2.663 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000118853096 426248617 /nfs/dbraw/zinc/24/86/17/426248617.db2.gz ANARAUODXRMVIZ-UHFFFAOYSA-N 1 1 316.361 2.663 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000173808995 426248866 /nfs/dbraw/zinc/24/88/66/426248866.db2.gz HPBPNUNUDNTWFU-AWEZNQCLSA-N 1 1 319.405 2.707 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCS1 ZINC000174369198 426255241 /nfs/dbraw/zinc/25/52/41/426255241.db2.gz BMPLWHTWSUWAHV-AWEZNQCLSA-N 1 1 324.402 2.789 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCS1 ZINC000174369198 426255244 /nfs/dbraw/zinc/25/52/44/426255244.db2.gz BMPLWHTWSUWAHV-AWEZNQCLSA-N 1 1 324.402 2.789 20 5 DFBDMO Cc1cccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000119474411 426290966 /nfs/dbraw/zinc/29/09/66/426290966.db2.gz VXJQMTSQWKGSAM-CQSZACIVSA-N 1 1 319.405 2.611 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000119486970 426292330 /nfs/dbraw/zinc/29/23/30/426292330.db2.gz PEFRNTVDRIHYEO-CYBMUJFWSA-N 1 1 323.368 2.584 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000175362155 426299669 /nfs/dbraw/zinc/29/96/69/426299669.db2.gz KHEMDMYWRNNGOT-OAHLLOKOSA-N 1 1 307.394 2.520 20 5 DFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000151614170 426303624 /nfs/dbraw/zinc/30/36/24/426303624.db2.gz IJSSNWDCISYTOM-WFASDCNBSA-N 1 1 318.377 2.543 20 5 DFBDMO CC[C@H](NC(=O)NCC[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090554373 426328026 /nfs/dbraw/zinc/32/80/26/426328026.db2.gz BPEFKVFMSVPYOX-HNNXBMFYSA-N 1 1 322.409 2.685 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121303346 426332969 /nfs/dbraw/zinc/33/29/69/426332969.db2.gz NZWDJKBYBVHFEO-ZDUSSCGKSA-N 1 1 317.389 2.600 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121303346 426332973 /nfs/dbraw/zinc/33/29/73/426332973.db2.gz NZWDJKBYBVHFEO-ZDUSSCGKSA-N 1 1 317.389 2.600 20 5 DFBDMO O=C(CC[N@H+]1CCC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000122870924 426399587 /nfs/dbraw/zinc/39/95/87/426399587.db2.gz REHCNIFEMKWORF-UHFFFAOYSA-N 1 1 303.362 2.799 20 5 DFBDMO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153726623 426401647 /nfs/dbraw/zinc/40/16/47/426401647.db2.gz PJSPNZFQJGQSEE-LLVKDONJSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153726623 426401651 /nfs/dbraw/zinc/40/16/51/426401651.db2.gz PJSPNZFQJGQSEE-LLVKDONJSA-N 1 1 312.753 2.633 20 5 DFBDMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000096157077 426402212 /nfs/dbraw/zinc/40/22/12/426402212.db2.gz YPLRDGJDFNIVFY-KRWDZBQOSA-N 1 1 303.406 2.821 20 5 DFBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000153735681 426403481 /nfs/dbraw/zinc/40/34/81/426403481.db2.gz GZFCBVIGPCPSBH-UHFFFAOYSA-N 1 1 316.361 2.570 20 5 DFBDMO CCCC[N@H+](CC(N)=O)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000091950398 426344815 /nfs/dbraw/zinc/34/48/15/426344815.db2.gz SHRQVTIAPCULBZ-UHFFFAOYSA-N 1 1 307.394 2.806 20 5 DFBDMO CCCC[N@@H+](CC(N)=O)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000091950398 426344817 /nfs/dbraw/zinc/34/48/17/426344817.db2.gz SHRQVTIAPCULBZ-UHFFFAOYSA-N 1 1 307.394 2.806 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152806434 426355485 /nfs/dbraw/zinc/35/54/85/426355485.db2.gz WWZDERQLSPBPNN-RWMBFGLXSA-N 1 1 303.362 2.654 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)nc2c1 ZINC000152847412 426357927 /nfs/dbraw/zinc/35/79/27/426357927.db2.gz UZSKLSZJNQXKSA-RISCZKNCSA-N 1 1 317.345 2.737 20 5 DFBDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176213089 426361250 /nfs/dbraw/zinc/36/12/50/426361250.db2.gz XPUKPMGPZLVVFP-HNNXBMFYSA-N 1 1 300.362 2.937 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2cccc(F)c2)n1 ZINC000176213713 426361284 /nfs/dbraw/zinc/36/12/84/426361284.db2.gz UEGBDLXQYSHBRM-AWEZNQCLSA-N 1 1 304.325 2.768 20 5 DFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc2ccccc2o1 ZINC000176288151 426366534 /nfs/dbraw/zinc/36/65/34/426366534.db2.gz SFRDVKXRQMVIBV-UHFFFAOYSA-N 1 1 300.318 2.670 20 5 DFBDMO Cc1cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122528945 426380450 /nfs/dbraw/zinc/38/04/50/426380450.db2.gz PCYCUGHJHOBHBE-JSGCOSHPSA-N 1 1 319.405 2.753 20 5 DFBDMO CC(C)c1[nH+]ccn1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000123547918 426440387 /nfs/dbraw/zinc/44/03/87/426440387.db2.gz PHLAFBWLSANQRI-UHFFFAOYSA-N 1 1 314.345 2.504 20 5 DFBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177111055 426444607 /nfs/dbraw/zinc/44/46/07/426444607.db2.gz DQZJJSRZTJATDI-MWLCHTKSSA-N 1 1 323.780 2.603 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+]1CCCC(C)(C)C1 ZINC000340870186 269024607 /nfs/dbraw/zinc/02/46/07/269024607.db2.gz DXZXAZDVUJAJSJ-UHFFFAOYSA-N 1 1 309.414 2.654 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000341060428 269036286 /nfs/dbraw/zinc/03/62/86/269036286.db2.gz NQRBTTAWEQIJHK-BETUJISGSA-N 1 1 305.378 2.588 20 5 DFBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000123774914 426452402 /nfs/dbraw/zinc/45/24/02/426452402.db2.gz MHWKPFWGSIDKBG-OAHLLOKOSA-N 1 1 314.389 2.783 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154864140 426458196 /nfs/dbraw/zinc/45/81/96/426458196.db2.gz WTAVSCXRTYOSFT-UHFFFAOYSA-N 1 1 323.418 2.747 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCOc1cccc([N+](=O)[O-])c1 ZINC000177336418 426469687 /nfs/dbraw/zinc/46/96/87/426469687.db2.gz XLYSJKYLVAPPEQ-ZBFHGGJFSA-N 1 1 319.405 2.532 20 5 DFBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000177336418 426469689 /nfs/dbraw/zinc/46/96/89/426469689.db2.gz XLYSJKYLVAPPEQ-ZBFHGGJFSA-N 1 1 319.405 2.532 20 5 DFBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000177336418 426469691 /nfs/dbraw/zinc/46/96/91/426469691.db2.gz XLYSJKYLVAPPEQ-ZBFHGGJFSA-N 1 1 319.405 2.532 20 5 DFBDMO CCc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155430345 426470634 /nfs/dbraw/zinc/47/06/34/426470634.db2.gz HSEGGJICVOSJAC-SWLSCSKDSA-N 1 1 319.405 2.616 20 5 DFBDMO COc1ccc(CN[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000098124397 426479687 /nfs/dbraw/zinc/47/96/87/426479687.db2.gz OBMREGFQLYZMOY-CYBMUJFWSA-N 1 1 307.394 2.567 20 5 DFBDMO Cc1[nH+]ccn1-c1ccc(CNc2ncc([N+](=O)[O-])s2)cn1 ZINC000195510196 426529927 /nfs/dbraw/zinc/52/99/27/426529927.db2.gz LVADTUQRTFZLJM-UHFFFAOYSA-N 1 1 316.346 2.553 20 5 DFBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000264300709 426532012 /nfs/dbraw/zinc/53/20/12/426532012.db2.gz VNGJCOYKBMHQHD-LBPRGKRZSA-N 1 1 324.377 2.623 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280299484 426543994 /nfs/dbraw/zinc/54/39/94/426543994.db2.gz FSFITURNNMIZOH-WWGRRREGSA-N 1 1 306.362 2.536 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280299484 426543998 /nfs/dbraw/zinc/54/39/98/426543998.db2.gz FSFITURNNMIZOH-WWGRRREGSA-N 1 1 306.362 2.536 20 5 DFBDMO CS[C@H](C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272517531 426546840 /nfs/dbraw/zinc/54/68/40/426546840.db2.gz KLIIYTQYMFETKV-RISCZKNCSA-N 1 1 320.418 2.759 20 5 DFBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000177531966 426493093 /nfs/dbraw/zinc/49/30/93/426493093.db2.gz UFIXTWZPJJFSHL-XJKSGUPXSA-N 1 1 300.362 2.669 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)cc1 ZINC000195026092 426498791 /nfs/dbraw/zinc/49/87/91/426498791.db2.gz VSVVLJFMVWMSKF-MRXNPFEDSA-N 1 1 323.356 2.635 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(CC3)C2)c2c(c1)COCO2 ZINC000186615174 426565687 /nfs/dbraw/zinc/56/56/87/426565687.db2.gz UQOWVAGVCUXVCP-UHFFFAOYSA-N 1 1 304.346 2.837 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC3(CC3)C2)c2c(c1)COCO2 ZINC000186615174 426565691 /nfs/dbraw/zinc/56/56/91/426565691.db2.gz UQOWVAGVCUXVCP-UHFFFAOYSA-N 1 1 304.346 2.837 20 5 DFBDMO COC1CCC([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265166683 426589040 /nfs/dbraw/zinc/58/90/40/426589040.db2.gz ACZMXXQGFNXNBP-UHFFFAOYSA-N 1 1 308.378 2.863 20 5 DFBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000265224004 426600859 /nfs/dbraw/zinc/60/08/59/426600859.db2.gz OCBMCUQQQQCYBT-DZGCQCFKSA-N 1 1 308.378 2.599 20 5 DFBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000265224016 426601146 /nfs/dbraw/zinc/60/11/46/426601146.db2.gz OCBMCUQQQQCYBT-UKRRQHHQSA-N 1 1 308.378 2.599 20 5 DFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000265224010 426601283 /nfs/dbraw/zinc/60/12/83/426601283.db2.gz OCBMCUQQQQCYBT-HIFRSBDPSA-N 1 1 308.378 2.599 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226789264 426622119 /nfs/dbraw/zinc/62/21/19/426622119.db2.gz WUFRMHCCIVORPL-SNVBAGLBSA-N 1 1 313.785 2.708 20 5 DFBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273463322 426669256 /nfs/dbraw/zinc/66/92/56/426669256.db2.gz NIHSULNRRKHIPL-LLVKDONJSA-N 1 1 324.356 2.539 20 5 DFBDMO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000290049387 426681558 /nfs/dbraw/zinc/68/15/58/426681558.db2.gz WXMJLIXQXZJHDY-CQSZACIVSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)c1 ZINC000290049387 426681561 /nfs/dbraw/zinc/68/15/61/426681561.db2.gz WXMJLIXQXZJHDY-CQSZACIVSA-N 1 1 304.325 2.686 20 5 DFBDMO CCn1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000178729750 426684052 /nfs/dbraw/zinc/68/40/52/426684052.db2.gz MJTMFBVEKWDASM-LLVKDONJSA-N 1 1 304.350 2.671 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000273248216 426625320 /nfs/dbraw/zinc/62/53/20/426625320.db2.gz GPZFZSSJOIYBKV-HIFRSBDPSA-N 1 1 322.405 2.832 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266880609 426787906 /nfs/dbraw/zinc/78/79/06/426787906.db2.gz WQDCKFCNKOHVTB-CABZTGNLSA-N 1 1 304.268 2.655 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266880609 426787909 /nfs/dbraw/zinc/78/79/09/426787909.db2.gz WQDCKFCNKOHVTB-CABZTGNLSA-N 1 1 304.268 2.655 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000178994198 426730992 /nfs/dbraw/zinc/73/09/92/426730992.db2.gz PRTMJYJTZYXVBD-GFCCVEGCSA-N 1 1 311.407 2.507 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000245438443 426738384 /nfs/dbraw/zinc/73/83/84/426738384.db2.gz SEWLYBLVTLDALS-HOCLYGCPSA-N 1 1 319.405 2.532 20 5 DFBDMO COc1cc(C[N@@H+](C)CCCOC(C)C)c([N+](=O)[O-])cc1F ZINC000274359623 426753824 /nfs/dbraw/zinc/75/38/24/426753824.db2.gz ZCKDQGZPLQWCHG-UHFFFAOYSA-N 1 1 314.357 2.989 20 5 DFBDMO Cc1c(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000274538630 426789190 /nfs/dbraw/zinc/78/91/90/426789190.db2.gz VLQDBMCFUOKVSL-ZDUSSCGKSA-N 1 1 305.378 2.506 20 5 DFBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179127921 426756021 /nfs/dbraw/zinc/75/60/21/426756021.db2.gz DDAZXRARIDBOJS-LLVKDONJSA-N 1 1 312.753 2.776 20 5 DFBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179127921 426756023 /nfs/dbraw/zinc/75/60/23/426756023.db2.gz DDAZXRARIDBOJS-LLVKDONJSA-N 1 1 312.753 2.776 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000245987958 426789488 /nfs/dbraw/zinc/78/94/88/426789488.db2.gz HNWIMRFCJKBWME-HOCLYGCPSA-N 1 1 319.405 2.532 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000290607308 426802544 /nfs/dbraw/zinc/80/25/44/426802544.db2.gz WHEJJFNEMHOEPP-DOTOQJQBSA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000290607308 426802547 /nfs/dbraw/zinc/80/25/47/426802547.db2.gz WHEJJFNEMHOEPP-DOTOQJQBSA-N 1 1 303.406 2.819 20 5 DFBDMO CC(C)[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179657760 426809431 /nfs/dbraw/zinc/80/94/31/426809431.db2.gz XWQXNEJCHQIBDY-UHFFFAOYSA-N 1 1 317.345 2.551 20 5 DFBDMO CC(C)[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179657760 426809435 /nfs/dbraw/zinc/80/94/35/426809435.db2.gz XWQXNEJCHQIBDY-UHFFFAOYSA-N 1 1 317.345 2.551 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000290748068 426830135 /nfs/dbraw/zinc/83/01/35/426830135.db2.gz IGLIONZSTJJHQJ-HOTGVXAUSA-N 1 1 302.374 2.893 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CF)CC1 ZINC000295194481 426858003 /nfs/dbraw/zinc/85/80/03/426858003.db2.gz UHFGCWPPJFYBOG-UHFFFAOYSA-N 1 1 309.341 2.523 20 5 DFBDMO CC[N@H+]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000267264242 426858030 /nfs/dbraw/zinc/85/80/30/426858030.db2.gz XRNRYXWIZASSGL-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO COc1ccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000295186956 426854671 /nfs/dbraw/zinc/85/46/71/426854671.db2.gz IJAGONFYULPOKB-ZDUSSCGKSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000290857073 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309.329 2.766 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000359909989 428072461 /nfs/dbraw/zinc/07/24/61/428072461.db2.gz ZMWUUBWSXIAIGF-XJKSGUPXSA-N 1 1 319.405 2.520 20 5 DFBDMO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000341467311 428077622 /nfs/dbraw/zinc/07/76/22/428077622.db2.gz JIPHHNIGEZYFKX-AWEZNQCLSA-N 1 1 309.797 2.917 20 5 DFBDMO Cc1cc(C2=CC[N@H+](Cc3ccno3)CC2)cc([N+](=O)[O-])c1N ZINC000369907591 428085892 /nfs/dbraw/zinc/08/58/92/428085892.db2.gz ZPROTFDNXWHEFM-UHFFFAOYSA-N 1 1 314.345 2.763 20 5 DFBDMO Cc1cc(C2=CC[N@@H+](Cc3ccno3)CC2)cc([N+](=O)[O-])c1N ZINC000369907591 428085901 /nfs/dbraw/zinc/08/59/01/428085901.db2.gz ZPROTFDNXWHEFM-UHFFFAOYSA-N 1 1 314.345 2.763 20 5 DFBDMO Cc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000377247604 428092997 /nfs/dbraw/zinc/09/29/97/428092997.db2.gz BFSNNQQFAPWKLV-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370011952 428110234 /nfs/dbraw/zinc/11/02/34/428110234.db2.gz SXINDQLCOBARCG-KGLIPLIRSA-N 1 1 314.389 2.954 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370011954 428110951 /nfs/dbraw/zinc/11/09/51/428110951.db2.gz SXINDQLCOBARCG-ZIAGYGMSSA-N 1 1 314.389 2.954 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1c1ccccc1 ZINC000370046245 428118619 /nfs/dbraw/zinc/11/86/19/428118619.db2.gz QMRTWJXFOXXPKF-HIFRSBDPSA-N 1 1 314.389 2.954 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352358490 428133872 /nfs/dbraw/zinc/13/38/72/428133872.db2.gz YFNNXLCFOFBZGA-CYBMUJFWSA-N 1 1 314.389 3.287 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346343081 428135345 /nfs/dbraw/zinc/13/53/45/428135345.db2.gz VLUJIDYLTLFRLG-YSVLISHTSA-N 1 1 304.390 2.921 20 5 DFBDMO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543417 428141786 /nfs/dbraw/zinc/14/17/86/428141786.db2.gz FECHJVFYTSDIGI-CYBMUJFWSA-N 1 1 321.421 2.762 20 5 DFBDMO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352543417 428141790 /nfs/dbraw/zinc/14/17/90/428141790.db2.gz FECHJVFYTSDIGI-CYBMUJFWSA-N 1 1 321.421 2.762 20 5 DFBDMO O=[N+]([O-])c1ccc(CNc2[nH+]cnc3[nH]ccc32)c(Cl)c1 ZINC000341661495 428146195 /nfs/dbraw/zinc/14/61/95/428146195.db2.gz FAFDKMBPBAYHIP-UHFFFAOYSA-N 1 1 303.709 3.132 20 5 DFBDMO CC(C)CCNC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545005 428145217 /nfs/dbraw/zinc/14/52/17/428145217.db2.gz UOAPEQZHTWHOFH-AWEZNQCLSA-N 1 1 321.421 2.620 20 5 DFBDMO CC(C)CCNC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545005 428145221 /nfs/dbraw/zinc/14/52/21/428145221.db2.gz UOAPEQZHTWHOFH-AWEZNQCLSA-N 1 1 321.421 2.620 20 5 DFBDMO CC[C@@H]1C[C@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000356515511 428212078 /nfs/dbraw/zinc/21/20/78/428212078.db2.gz DTXXXNSDCOZOEU-CZUORRHYSA-N 1 1 320.389 2.994 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCc4[nH+]ccn43)n2)s1 ZINC000377798928 428230182 /nfs/dbraw/zinc/23/01/82/428230182.db2.gz ORJOAQQOVFWCSN-MRVPVSSYSA-N 1 1 317.330 2.829 20 5 DFBDMO CCn1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000414215463 428236184 /nfs/dbraw/zinc/23/61/84/428236184.db2.gz XZBVPOQMADOTQQ-MRXNPFEDSA-N 1 1 300.362 2.978 20 5 DFBDMO Cc1ccc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)s1 ZINC000377963214 428270393 /nfs/dbraw/zinc/27/03/93/428270393.db2.gz OFGNBAGRVUUALT-LBPRGKRZSA-N 1 1 306.391 2.998 20 5 DFBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377982745 428278474 /nfs/dbraw/zinc/27/84/74/428278474.db2.gz ANFCFIYWFXRUBS-FZMZJTMJSA-N 1 1 306.362 2.787 20 5 DFBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377982748 428278923 /nfs/dbraw/zinc/27/89/23/428278923.db2.gz ANFCFIYWFXRUBS-RISCZKNCSA-N 1 1 306.362 2.787 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000370711172 428281406 /nfs/dbraw/zinc/28/14/06/428281406.db2.gz OEKZPQTYCKRTMD-YOEHRIQHSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000370711172 428281408 /nfs/dbraw/zinc/28/14/08/428281408.db2.gz OEKZPQTYCKRTMD-YOEHRIQHSA-N 1 1 320.389 2.673 20 5 DFBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000356750138 428292342 /nfs/dbraw/zinc/29/23/42/428292342.db2.gz ZREIDFGQAWFQMS-LLVKDONJSA-N 1 1 318.377 2.535 20 5 DFBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000356750140 428292431 /nfs/dbraw/zinc/29/24/31/428292431.db2.gz ZREIDFGQAWFQMS-NSHDSACASA-N 1 1 318.377 2.535 20 5 DFBDMO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352877744 428292738 /nfs/dbraw/zinc/29/27/38/428292738.db2.gz QIIINPFITINFNY-WCQYABFASA-N 1 1 306.366 2.507 20 5 DFBDMO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352877738 428293098 /nfs/dbraw/zinc/29/30/98/428293098.db2.gz QIIINPFITINFNY-AAEUAGOBSA-N 1 1 306.366 2.507 20 5 DFBDMO Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352879319 428293629 /nfs/dbraw/zinc/29/36/29/428293629.db2.gz WCZYVLFUDXRXHC-AAEUAGOBSA-N 1 1 306.366 2.507 20 5 DFBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356761208 428296138 /nfs/dbraw/zinc/29/61/38/428296138.db2.gz DLUFEBYHARFUDG-NSHDSACASA-N 1 1 318.377 2.535 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773692 428241915 /nfs/dbraw/zinc/24/19/15/428241915.db2.gz UFCHADOYMZORIJ-ZFWWWQNUSA-N 1 1 321.421 2.766 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000352779682 428245660 /nfs/dbraw/zinc/24/56/60/428245660.db2.gz QGHYPZDCTSYGNR-OAHLLOKOSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000370990976 428336175 /nfs/dbraw/zinc/33/61/75/428336175.db2.gz HDZQXELDIGARCS-HZPDHXFCSA-N 1 1 317.345 2.762 20 5 DFBDMO Cc1cc([C@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000370990976 428336181 /nfs/dbraw/zinc/33/61/81/428336181.db2.gz HDZQXELDIGARCS-HZPDHXFCSA-N 1 1 317.345 2.762 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000356855033 428336548 /nfs/dbraw/zinc/33/65/48/428336548.db2.gz PSXFIKBOCQOYSK-KGLIPLIRSA-N 1 1 319.405 2.685 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000356855033 428336554 /nfs/dbraw/zinc/33/65/54/428336554.db2.gz PSXFIKBOCQOYSK-KGLIPLIRSA-N 1 1 319.405 2.685 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000378278969 428353100 /nfs/dbraw/zinc/35/31/00/428353100.db2.gz FFYZQHDWWLJQJH-ZDUSSCGKSA-N 1 1 317.370 2.573 20 5 DFBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000378278969 428353103 /nfs/dbraw/zinc/35/31/03/428353103.db2.gz FFYZQHDWWLJQJH-ZDUSSCGKSA-N 1 1 317.370 2.573 20 5 DFBDMO CCC(=O)N1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000378504435 428414204 /nfs/dbraw/zinc/41/42/04/428414204.db2.gz GVFGEBNDMUSILK-CQSZACIVSA-N 1 1 319.405 2.909 20 5 DFBDMO CCC(=O)N1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000378504435 428414206 /nfs/dbraw/zinc/41/42/06/428414206.db2.gz GVFGEBNDMUSILK-CQSZACIVSA-N 1 1 319.405 2.909 20 5 DFBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC1 ZINC000342236014 428362457 /nfs/dbraw/zinc/36/24/57/428362457.db2.gz AFGJQFBYPIHGOD-UHFFFAOYSA-N 1 1 323.418 2.531 20 5 DFBDMO Cc1c([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cnn1C ZINC000378328478 428365881 /nfs/dbraw/zinc/36/58/81/428365881.db2.gz BXZKKHYAVGBMBA-MRXNPFEDSA-N 1 1 300.362 2.974 20 5 DFBDMO Cc1c([C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cnn1C ZINC000378328478 428365887 /nfs/dbraw/zinc/36/58/87/428365887.db2.gz BXZKKHYAVGBMBA-MRXNPFEDSA-N 1 1 300.362 2.974 20 5 DFBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000342247285 428366974 /nfs/dbraw/zinc/36/69/74/428366974.db2.gz JUFAUDQJXCEZML-GFCCVEGCSA-N 1 1 317.345 2.555 20 5 DFBDMO C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000342292738 428386906 /nfs/dbraw/zinc/38/69/06/428386906.db2.gz IXQIDZAATLVTRW-CYBMUJFWSA-N 1 1 313.357 2.908 20 5 DFBDMO COc1ccc(CNc2[nH+]c3ccccc3n2C)cc1[N+](=O)[O-] ZINC000342710738 428440632 /nfs/dbraw/zinc/44/06/32/428440632.db2.gz SIWAAGOHORVOFW-UHFFFAOYSA-N 1 1 312.329 3.102 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342784242 428455129 /nfs/dbraw/zinc/45/51/29/428455129.db2.gz JUJWWOYLKLSYPK-CYBMUJFWSA-N 1 1 307.369 2.902 20 5 DFBDMO CC1CCC(O)(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000347049122 428425688 /nfs/dbraw/zinc/42/56/88/428425688.db2.gz DNUKOHJMEOWYJH-UHFFFAOYSA-N 1 1 320.389 2.599 20 5 DFBDMO C[N@@H+]1CC=C(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000392777919 428482067 /nfs/dbraw/zinc/48/20/67/428482067.db2.gz FJHDADKOGVAYEC-UHFFFAOYSA-N 1 1 316.283 2.682 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415037681 428496119 /nfs/dbraw/zinc/49/61/19/428496119.db2.gz HCLOIWQHWHVHFS-YOEHRIQHSA-N 1 1 303.406 2.867 20 5 DFBDMO CC(C)[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000347222560 428501849 /nfs/dbraw/zinc/50/18/49/428501849.db2.gz DGSUHEQUVZVYOP-CQSZACIVSA-N 1 1 324.356 2.538 20 5 DFBDMO C[N@@H+](CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000347267664 428520177 /nfs/dbraw/zinc/52/01/77/428520177.db2.gz QIMDDARLSLZMLU-UHFFFAOYSA-N 1 1 324.356 2.730 20 5 DFBDMO CSC[C@@H](C)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353529448 428581556 /nfs/dbraw/zinc/58/15/56/428581556.db2.gz PYFWSKLIUOQTFX-BXUZGUMPSA-N 1 1 320.418 2.759 20 5 DFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000343874764 428588491 /nfs/dbraw/zinc/58/84/91/428588491.db2.gz QMRJYVCMNJJQNV-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398932483 428533327 /nfs/dbraw/zinc/53/33/27/428533327.db2.gz TUNWVTFSSVUUBZ-SDDRHHMPSA-N 1 1 310.781 2.841 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+]C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353437254 428537533 /nfs/dbraw/zinc/53/75/33/428537533.db2.gz DSCKPMZXOXFEMQ-HNNXBMFYSA-N 1 1 300.362 2.950 20 5 DFBDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000357581579 428548401 /nfs/dbraw/zinc/54/84/01/428548401.db2.gz MWSDMWKGZNDLOK-GFCCVEGCSA-N 1 1 302.378 3.284 20 5 DFBDMO COC(=O)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000353466185 428552320 /nfs/dbraw/zinc/55/23/20/428552320.db2.gz XMUDDZONXVSWTD-VURMDHGXSA-N 1 1 306.362 2.882 20 5 DFBDMO CCC[N@H+](CC(=O)N(C)C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347345988 428557844 /nfs/dbraw/zinc/55/78/44/428557844.db2.gz VAGPHCXUWJAEIR-UVTDQMKNSA-N 1 1 319.405 2.798 20 5 DFBDMO CSCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353522996 428574221 /nfs/dbraw/zinc/57/42/21/428574221.db2.gz WOAGHXSDMZJZHB-AWEZNQCLSA-N 1 1 320.418 2.760 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000353590404 428609244 /nfs/dbraw/zinc/60/92/44/428609244.db2.gz JABREPJDXQOMHD-OCCSQVGLSA-N 1 1 318.402 2.513 20 5 DFBDMO CC1CC([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353644234 428636888 /nfs/dbraw/zinc/63/68/88/428636888.db2.gz MUWLJQAXRYQHDO-HGMXIMQMSA-N 1 1 300.362 2.806 20 5 DFBDMO Cc1nn(C)c(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000373741262 428644798 /nfs/dbraw/zinc/64/47/98/428644798.db2.gz AMGCUTXUTNWTBS-AWEZNQCLSA-N 1 1 321.425 2.846 20 5 DFBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000194902438 274303235 /nfs/dbraw/zinc/30/32/35/274303235.db2.gz WKGGBDQIKMCCBM-SNVBAGLBSA-N 1 1 311.363 2.830 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000194902438 274303236 /nfs/dbraw/zinc/30/32/36/274303236.db2.gz WKGGBDQIKMCCBM-SNVBAGLBSA-N 1 1 311.363 2.830 20 5 DFBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000362328855 428705699 /nfs/dbraw/zinc/70/56/99/428705699.db2.gz AMXCPRIKEOMXCC-UHFFFAOYSA-N 1 1 321.377 2.596 20 5 DFBDMO Cc1cnc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000348355734 428718534 /nfs/dbraw/zinc/71/85/34/428718534.db2.gz LVUKXVPUTAIKOK-NSHDSACASA-N 1 1 318.333 2.571 20 5 DFBDMO Cc1cnc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000348399893 428734258 /nfs/dbraw/zinc/73/42/58/428734258.db2.gz RQMDZFNENHPCQV-LLVKDONJSA-N 1 1 318.333 2.571 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000358814088 428687717 /nfs/dbraw/zinc/68/77/17/428687717.db2.gz TXASMVYRLNSKKI-NSHDSACASA-N 1 1 304.350 2.956 20 5 DFBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411284024 428769046 /nfs/dbraw/zinc/76/90/46/428769046.db2.gz MHNMLAYKGSLKIL-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411284025 428770902 /nfs/dbraw/zinc/77/09/02/428770902.db2.gz MHNMLAYKGSLKIL-RYUDHWBXSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000374895964 428777741 /nfs/dbraw/zinc/77/77/41/428777741.db2.gz NVOSNSIMVABFHQ-UHFFFAOYSA-N 1 1 317.389 2.604 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000375048404 428798238 /nfs/dbraw/zinc/79/82/38/428798238.db2.gz ICULCMNRWRVIAE-PXAZEXFGSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCOC1 ZINC000348672741 428810458 /nfs/dbraw/zinc/81/04/58/428810458.db2.gz MVWDLSOOBRTZNK-LBPRGKRZSA-N 1 1 316.304 2.807 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCOC1 ZINC000348672741 428810466 /nfs/dbraw/zinc/81/04/66/428810466.db2.gz MVWDLSOOBRTZNK-LBPRGKRZSA-N 1 1 316.304 2.807 20 5 DFBDMO Cc1c(C[N@H+]2CCCc3c(cnn3C)C2)cccc1[N+](=O)[O-] ZINC000411838324 428866753 /nfs/dbraw/zinc/86/67/53/428866753.db2.gz BJXNKOMXHMHCBC-UHFFFAOYSA-N 1 1 300.362 2.585 20 5 DFBDMO Cc1c(C[N@@H+]2CCCc3c(cnn3C)C2)cccc1[N+](=O)[O-] ZINC000411838324 428866760 /nfs/dbraw/zinc/86/67/60/428866760.db2.gz BJXNKOMXHMHCBC-UHFFFAOYSA-N 1 1 300.362 2.585 20 5 DFBDMO COC(=O)c1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000348905663 428873944 /nfs/dbraw/zinc/87/39/44/428873944.db2.gz SEETZFTYNFBYKH-UHFFFAOYSA-N 1 1 300.314 2.671 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000345428467 428883150 /nfs/dbraw/zinc/88/31/50/428883150.db2.gz OEPKESZQCZNDNU-GFCCVEGCSA-N 1 1 320.393 2.770 20 5 DFBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000363213255 428885982 /nfs/dbraw/zinc/88/59/82/428885982.db2.gz OKGXRELKCSGTBZ-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000363240713 428890566 /nfs/dbraw/zinc/89/05/66/428890566.db2.gz SWPLEGOHECXDGO-GHMZBOCLSA-N 1 1 310.785 2.706 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000363240713 428890572 /nfs/dbraw/zinc/89/05/72/428890572.db2.gz SWPLEGOHECXDGO-GHMZBOCLSA-N 1 1 310.785 2.706 20 5 DFBDMO C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000412040188 428919770 /nfs/dbraw/zinc/91/97/70/428919770.db2.gz KKGRVICHCKXJEJ-GFCCVEGCSA-N 1 1 317.389 2.604 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000345524528 428921239 /nfs/dbraw/zinc/92/12/39/428921239.db2.gz GBHIOTOQEUUMMR-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO Cc1nnc([C@@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412043869 428924798 /nfs/dbraw/zinc/92/47/98/428924798.db2.gz PUXWOAQJSAELIV-DGCLKSJQSA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412043869 428924805 /nfs/dbraw/zinc/92/48/05/428924805.db2.gz PUXWOAQJSAELIV-DGCLKSJQSA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1n[nH]c([C@@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412043869 428924812 /nfs/dbraw/zinc/92/48/12/428924812.db2.gz PUXWOAQJSAELIV-DGCLKSJQSA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1nc([C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000412043869 428924817 /nfs/dbraw/zinc/92/48/17/428924817.db2.gz PUXWOAQJSAELIV-DGCLKSJQSA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1nc([C@@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000412043869 428924819 /nfs/dbraw/zinc/92/48/19/428924819.db2.gz PUXWOAQJSAELIV-DGCLKSJQSA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412044614 428925724 /nfs/dbraw/zinc/92/57/24/428925724.db2.gz OUPLQIFTDUGZFS-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000412051628 428930046 /nfs/dbraw/zinc/93/00/46/428930046.db2.gz WUSVUQHVGLXNIU-ZNMIVQPWSA-N 1 1 320.389 2.586 20 5 DFBDMO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000363522990 428933977 /nfs/dbraw/zinc/93/39/77/428933977.db2.gz QVVRMECFTCIHOE-OAHLLOKOSA-N 1 1 317.389 2.572 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412064082 428934957 /nfs/dbraw/zinc/93/49/57/428934957.db2.gz BPTZIMKCEZDVKM-ZIAGYGMSSA-N 1 1 322.405 2.975 20 5 DFBDMO COC(=O)[C@]1(C)CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000412072739 428937822 /nfs/dbraw/zinc/93/78/22/428937822.db2.gz PWKMOXSZTSYXHY-MLGOLLRUSA-N 1 1 306.362 2.931 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412082664 428947493 /nfs/dbraw/zinc/94/74/93/428947493.db2.gz MVBZCYMKKPECDD-OCCSQVGLSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000363587438 428947939 /nfs/dbraw/zinc/94/79/39/428947939.db2.gz NOENDGMCNGPVOS-KFWWJZLASA-N 1 1 319.405 2.896 20 5 DFBDMO C[C@@H]1CCC[N@H+]1C1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000375707287 428949790 /nfs/dbraw/zinc/94/97/90/428949790.db2.gz YBEPDELXUWDQGO-GFCCVEGCSA-N 1 1 304.394 2.630 20 5 DFBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363632523 428958300 /nfs/dbraw/zinc/95/83/00/428958300.db2.gz FAAKSMIJCBRODV-SJORKVTESA-N 1 1 317.389 2.570 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000451910337 429017007 /nfs/dbraw/zinc/01/70/07/429017007.db2.gz MYUCDGQYZGLACY-KRWDZBQOSA-N 1 1 320.389 2.996 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000421761541 429028907 /nfs/dbraw/zinc/02/89/07/429028907.db2.gz IYRAFMUOHPDWNN-UHFFFAOYSA-N 1 1 319.405 2.816 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000349404154 428980764 /nfs/dbraw/zinc/98/07/64/428980764.db2.gz FIMBWTLRXZIWED-HKBVPSITSA-N 1 1 318.295 2.853 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000349404154 428980773 /nfs/dbraw/zinc/98/07/73/428980773.db2.gz FIMBWTLRXZIWED-HKBVPSITSA-N 1 1 318.295 2.853 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808615 428981574 /nfs/dbraw/zinc/98/15/74/428981574.db2.gz DCNYQRXJSIONCI-IRXDYDNUSA-N 1 1 303.406 2.696 20 5 DFBDMO CN1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808615 428981580 /nfs/dbraw/zinc/98/15/80/428981580.db2.gz DCNYQRXJSIONCI-IRXDYDNUSA-N 1 1 303.406 2.696 20 5 DFBDMO CN1CCC[C@H]1[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808615 428981583 /nfs/dbraw/zinc/98/15/83/428981583.db2.gz DCNYQRXJSIONCI-IRXDYDNUSA-N 1 1 303.406 2.696 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000354481703 428992270 /nfs/dbraw/zinc/99/22/70/428992270.db2.gz AAGPCFGJQSFHDD-ZDUSSCGKSA-N 1 1 319.405 2.686 20 5 DFBDMO CN1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000375852289 428998678 /nfs/dbraw/zinc/99/86/78/428998678.db2.gz NKAKOLDVMUNWQT-ULQDDVLXSA-N 1 1 303.406 2.600 20 5 DFBDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355339149 429040424 /nfs/dbraw/zinc/04/04/24/429040424.db2.gz IAZUTGROEWHSOU-CQSZACIVSA-N 1 1 302.378 2.781 20 5 DFBDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355339147 429040459 /nfs/dbraw/zinc/04/04/59/429040459.db2.gz IAZUTGROEWHSOU-AWEZNQCLSA-N 1 1 302.378 2.781 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376107792 429057595 /nfs/dbraw/zinc/05/75/95/429057595.db2.gz XNFBPYXISVAYBK-CHWSQXEVSA-N 1 1 303.362 2.836 20 5 DFBDMO CCOCC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000434633639 429099527 /nfs/dbraw/zinc/09/95/27/429099527.db2.gz KAYOBGXEMNZXLF-MRXNPFEDSA-N 1 1 310.394 2.593 20 5 DFBDMO CC(C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413099727 429137661 /nfs/dbraw/zinc/13/76/61/429137661.db2.gz BIWFSMWYLWUXDV-UHFFFAOYSA-N 1 1 306.288 2.761 20 5 DFBDMO O=[N+]([O-])c1ccc2nc(N3CCC[N@H+](C4CC4)CC3)ccc2c1 ZINC000171831363 275038756 /nfs/dbraw/zinc/03/87/56/275038756.db2.gz QYEVZYQDSIIZEW-UHFFFAOYSA-N 1 1 312.373 2.818 20 5 DFBDMO CCCC[N@@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000488254043 429177840 /nfs/dbraw/zinc/17/78/40/429177840.db2.gz LQKBPYCQSMCJBS-UHFFFAOYSA-N 1 1 302.378 3.287 20 5 DFBDMO CO[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000488550585 429183244 /nfs/dbraw/zinc/18/32/44/429183244.db2.gz YQRMFVQVJGOBQR-IYBDPMFKSA-N 1 1 308.378 2.564 20 5 DFBDMO CO[C@@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC000488550585 429183248 /nfs/dbraw/zinc/18/32/48/429183248.db2.gz YQRMFVQVJGOBQR-IYBDPMFKSA-N 1 1 308.378 2.564 20 5 DFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCOc3ccccc3)C2)c1 ZINC000364333281 429183732 /nfs/dbraw/zinc/18/37/32/429183732.db2.gz AXJYRRZCIYAWIW-AWEZNQCLSA-N 1 1 316.361 2.507 20 5 DFBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488745550 429195413 /nfs/dbraw/zinc/19/54/13/429195413.db2.gz LIRHVKLOANRROG-JMSVASOKSA-N 1 1 307.369 2.900 20 5 DFBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495258687 429192543 /nfs/dbraw/zinc/19/25/43/429192543.db2.gz DSKXHCPUNOEFPF-PBHICJAKSA-N 1 1 322.405 2.847 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000488736377 429193216 /nfs/dbraw/zinc/19/32/16/429193216.db2.gz PSXGVBZWNAVRHI-LALPHHSUSA-N 1 1 318.421 2.773 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489438829 429243174 /nfs/dbraw/zinc/24/31/74/429243174.db2.gz OOUMZBVZDCWPMS-CQSZACIVSA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000489438829 429243176 /nfs/dbraw/zinc/24/31/76/429243176.db2.gz OOUMZBVZDCWPMS-CQSZACIVSA-N 1 1 321.377 2.662 20 5 DFBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CC1(C)C ZINC000489474450 429244799 /nfs/dbraw/zinc/24/47/99/429244799.db2.gz ROOKUQNHJCQUDF-CQSZACIVSA-N 1 1 319.361 2.623 20 5 DFBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC1(C)C ZINC000489484130 429247421 /nfs/dbraw/zinc/24/74/21/429247421.db2.gz PVEZPNYECOQEFI-LBPRGKRZSA-N 1 1 302.334 2.875 20 5 DFBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC1(C)C ZINC000489484130 429247426 /nfs/dbraw/zinc/24/74/26/429247426.db2.gz PVEZPNYECOQEFI-LBPRGKRZSA-N 1 1 302.334 2.875 20 5 DFBDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000364682169 429249725 /nfs/dbraw/zinc/24/97/25/429249725.db2.gz NOOAZAUHVFALMM-PXAZEXFGSA-N 1 1 317.389 2.706 20 5 DFBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000365434895 429318097 /nfs/dbraw/zinc/31/80/97/429318097.db2.gz BZWOTGPRJSMPSS-CYBMUJFWSA-N 1 1 323.780 2.559 20 5 DFBDMO CC(C)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449069525 429324418 /nfs/dbraw/zinc/32/44/18/429324418.db2.gz XQRUOVWSOVGNFV-AWEZNQCLSA-N 1 1 305.422 2.988 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425513675 429314801 /nfs/dbraw/zinc/31/48/01/429314801.db2.gz OKZAXSSZVBIAAR-UKRRQHHQSA-N 1 1 315.377 2.893 20 5 DFBDMO Cc1cc(C2=CC[N@@H+](C[C@@H]3CCCO3)CC2)cc([N+](=O)[O-])c1N ZINC000365883175 429396315 /nfs/dbraw/zinc/39/63/15/429396315.db2.gz DEJDRRPUJDZMJU-HNNXBMFYSA-N 1 1 317.389 2.754 20 5 DFBDMO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000449358299 429397693 /nfs/dbraw/zinc/39/76/93/429397693.db2.gz FIRPTECNACLCJK-CABZTGNLSA-N 1 1 315.320 2.945 20 5 DFBDMO Cn1c2ccccc2cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1=O ZINC000491470007 429363819 /nfs/dbraw/zinc/36/38/19/429363819.db2.gz FVWOQEHCRRSCBX-UHFFFAOYSA-N 1 1 323.352 2.737 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(F)ccc3F)CC2)n1 ZINC000365820327 429379607 /nfs/dbraw/zinc/37/96/07/429379607.db2.gz MKOIMCOFZAZEDY-UHFFFAOYSA-N 1 1 322.315 2.907 20 5 DFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(F)cccc3F)CC2)n1 ZINC000365838747 429383555 /nfs/dbraw/zinc/38/35/55/429383555.db2.gz OZWJZJPOVDTUES-UHFFFAOYSA-N 1 1 322.315 2.907 20 5 DFBDMO CN(C)c1cc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000492071588 429461622 /nfs/dbraw/zinc/46/16/22/429461622.db2.gz QNMZRFQTWKUUDZ-SREVYHEPSA-N 1 1 312.329 2.708 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000449421323 429411476 /nfs/dbraw/zinc/41/14/76/429411476.db2.gz LHIOBRJFLLFLSR-WFASDCNBSA-N 1 1 308.378 2.586 20 5 DFBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449499163 429435162 /nfs/dbraw/zinc/43/51/62/429435162.db2.gz SXMYHXKULGUBDK-WFASDCNBSA-N 1 1 308.378 2.850 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000366860105 429527374 /nfs/dbraw/zinc/52/73/74/429527374.db2.gz YOCZGVPMFQTARE-CYBMUJFWSA-N 1 1 308.353 2.982 20 5 DFBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000449701589 429485168 /nfs/dbraw/zinc/48/51/68/429485168.db2.gz QVUVCXZURLXTOE-KRWDZBQOSA-N 1 1 322.405 2.549 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000366618326 429488678 /nfs/dbraw/zinc/48/86/78/429488678.db2.gz DTPGBMMLNUDJSN-CZUORRHYSA-N 1 1 319.405 2.520 20 5 DFBDMO C[C@@H]1CC2(CCC2)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000366748923 429506734 /nfs/dbraw/zinc/50/67/34/429506734.db2.gz CPCRJJYEPQQZNQ-KGLIPLIRSA-N 1 1 320.389 2.599 20 5 DFBDMO CC(C)Oc1nc(N(C)C[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000521460566 429553341 /nfs/dbraw/zinc/55/33/41/429553341.db2.gz FMROFTJVOAKPPS-ZDUSSCGKSA-N 1 1 322.409 2.555 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCCC23CCCCC3)c([N+](=O)[O-])c1 ZINC000367006286 429556116 /nfs/dbraw/zinc/55/61/16/429556116.db2.gz ASNNPRLHICLGRZ-UHFFFAOYSA-N 1 1 317.389 2.992 20 5 DFBDMO CCOC(=O)c1cc(NC[C@@H]2CCC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000450214467 429580428 /nfs/dbraw/zinc/58/04/28/429580428.db2.gz HPDVOAKXCJPFIS-ZDUSSCGKSA-N 1 1 321.377 2.668 20 5 DFBDMO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000450253517 429585014 /nfs/dbraw/zinc/58/50/14/429585014.db2.gz OPTMEOYXSTXEEC-KGLIPLIRSA-N 1 1 312.373 3.182 20 5 DFBDMO CC1CCC2(CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000367149526 429586592 /nfs/dbraw/zinc/58/65/92/429586592.db2.gz VSVAGJHCPILQOV-UHFFFAOYSA-N 1 1 319.405 2.659 20 5 DFBDMO CCOc1cc(CN(C)[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492459625 429542061 /nfs/dbraw/zinc/54/20/61/429542061.db2.gz GJHACWXLNSQBAS-HNNXBMFYSA-N 1 1 319.405 2.662 20 5 DFBDMO CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450390628 429616427 /nfs/dbraw/zinc/61/64/27/429616427.db2.gz OYZIGEUKIYJCOI-MRXNPFEDSA-N 1 1 312.373 2.701 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429574784 429618807 /nfs/dbraw/zinc/61/88/07/429618807.db2.gz BHCKSDFRLYADTQ-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429569605 429618971 /nfs/dbraw/zinc/61/89/71/429618971.db2.gz UAZYXMGPRWNMSL-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cc(N2CC[N@H+](C3CC3)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000450549321 429646029 /nfs/dbraw/zinc/64/60/29/429646029.db2.gz VMHHQRADLKXZPM-NSHDSACASA-N 1 1 307.369 2.963 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429528873 429612986 /nfs/dbraw/zinc/61/29/86/429612986.db2.gz NYBLBTSUGUDPTG-CYBMUJFWSA-N 1 1 319.405 2.894 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c(Cl)c1 ZINC000450600291 429657841 /nfs/dbraw/zinc/65/78/41/429657841.db2.gz VJLTTWXOVIVLCU-LBPRGKRZSA-N 1 1 313.785 2.507 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000430211734 429662815 /nfs/dbraw/zinc/66/28/15/429662815.db2.gz YIJOUTHMKIRELG-HNNXBMFYSA-N 1 1 320.320 2.566 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000430204978 429663105 /nfs/dbraw/zinc/66/31/05/429663105.db2.gz SYEKEBBAHXPVKH-XJKSGUPXSA-N 1 1 319.405 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)C1CCCCC1 ZINC000430225931 429665605 /nfs/dbraw/zinc/66/56/05/429665605.db2.gz ZNSKOPUXKDJROV-UHFFFAOYSA-N 1 1 308.378 2.730 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000430245934 429666512 /nfs/dbraw/zinc/66/65/12/429666512.db2.gz VAVDVBZPNQITLO-KRWDZBQOSA-N 1 1 320.389 2.996 20 5 DFBDMO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000493004433 429666818 /nfs/dbraw/zinc/66/68/18/429666818.db2.gz PIKAIPQUJZRTCT-LBPRGKRZSA-N 1 1 309.797 2.917 20 5 DFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242353 429668091 /nfs/dbraw/zinc/66/80/91/429668091.db2.gz SDFOMMLKOPXEEI-MRXNPFEDSA-N 1 1 308.378 2.730 20 5 DFBDMO CC1=C[C@@H](C)C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430284995 429673685 /nfs/dbraw/zinc/67/36/85/429673685.db2.gz QGQVOLUHXRMAEY-DGCLKSJQSA-N 1 1 303.362 2.820 20 5 DFBDMO CC1=C[C@@H](C)C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000430284995 429673689 /nfs/dbraw/zinc/67/36/89/429673689.db2.gz QGQVOLUHXRMAEY-DGCLKSJQSA-N 1 1 303.362 2.820 20 5 DFBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000176248762 276168782 /nfs/dbraw/zinc/16/87/82/276168782.db2.gz WHOZUNQGMGOKQG-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO CC[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000054483308 276192723 /nfs/dbraw/zinc/19/27/23/276192723.db2.gz HNQWXXQRIJIXMH-UHFFFAOYSA-N 1 1 319.405 2.670 20 5 DFBDMO CCC(=O)c1ccc(N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368448613 276205629 /nfs/dbraw/zinc/20/56/29/276205629.db2.gz CJPQIKWQXQDEFN-MLGOLLRUSA-N 1 1 317.389 2.718 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000290950346 276232693 /nfs/dbraw/zinc/23/26/93/276232693.db2.gz PCCNNSKUQWQKHY-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493129837 429695739 /nfs/dbraw/zinc/69/57/39/429695739.db2.gz GCSYAQSAJUOACS-RYUDHWBXSA-N 1 1 309.797 2.917 20 5 DFBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21 ZINC000450777767 429698039 /nfs/dbraw/zinc/69/80/39/429698039.db2.gz KFURNABPOCKSSD-ZBFHGGJFSA-N 1 1 324.384 2.797 20 5 DFBDMO CCOc1cccc(N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000368134589 276381488 /nfs/dbraw/zinc/38/14/88/276381488.db2.gz KXRWLVSRLBDPQG-GFCCVEGCSA-N 1 1 316.361 2.721 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000430951010 429727583 /nfs/dbraw/zinc/72/75/83/429727583.db2.gz JSLPHLWVJZGZJL-CYBMUJFWSA-N 1 1 321.421 2.941 20 5 DFBDMO CCN1CC[NH+](CC(C)(C)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000450924603 429730642 /nfs/dbraw/zinc/73/06/42/429730642.db2.gz UZNOFEKSWOPPSN-UHFFFAOYSA-N 1 1 324.400 2.562 20 5 DFBDMO C[N@@H+](CCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000493399370 429754062 /nfs/dbraw/zinc/75/40/62/429754062.db2.gz ZADRBPGFVPLKEW-IZZDOVSWSA-N 1 1 317.389 2.599 20 5 DFBDMO C[N@H+]1CC[C@@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000432181110 429807140 /nfs/dbraw/zinc/80/71/40/429807140.db2.gz YUFCUYKLWYBHRQ-MLGOLLRUSA-N 1 1 312.373 2.673 20 5 DFBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493677435 429807758 /nfs/dbraw/zinc/80/77/58/429807758.db2.gz UQTQDZDQKGSHNK-PTZVLDCSSA-N 1 1 317.389 2.549 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](F)C3)o2)c1 ZINC000451191470 429785726 /nfs/dbraw/zinc/78/57/26/429785726.db2.gz HENBEKDVKXNXTJ-GFCCVEGCSA-N 1 1 305.309 2.836 20 5 DFBDMO CCOc1cccc(N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000368134590 429795283 /nfs/dbraw/zinc/79/52/83/429795283.db2.gz KXRWLVSRLBDPQG-LBPRGKRZSA-N 1 1 316.361 2.721 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451413660 429824330 /nfs/dbraw/zinc/82/43/30/429824330.db2.gz CGPJJJMJPLIWDQ-XHSDSOJGSA-N 1 1 320.389 2.729 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000451528325 429844247 /nfs/dbraw/zinc/84/42/47/429844247.db2.gz QCNWKQLJRUXJQG-SWLSCSKDSA-N 1 1 308.378 2.850 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000451528323 429844343 /nfs/dbraw/zinc/84/43/43/429844343.db2.gz QCNWKQLJRUXJQG-IUODEOHRSA-N 1 1 308.378 2.850 20 5 DFBDMO CCOC(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544414 429850260 /nfs/dbraw/zinc/85/02/60/429850260.db2.gz FJSLBDSLTZIDEG-AWEZNQCLSA-N 1 1 306.362 2.727 20 5 DFBDMO C[C@@H](c1nncn1C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544360 429850466 /nfs/dbraw/zinc/85/04/66/429850466.db2.gz DZBSXDUCWQPOJB-JSGCOSHPSA-N 1 1 315.377 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CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543639817 430255572 /nfs/dbraw/zinc/25/55/72/430255572.db2.gz ARYDSKNFPUKHDD-LLVKDONJSA-N 1 1 324.356 2.586 20 5 DFBDMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566476543 430263307 /nfs/dbraw/zinc/26/33/07/430263307.db2.gz ZNVUNLSNNDVCMU-WQVCFCJDSA-N 1 1 303.406 2.900 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566476543 430263310 /nfs/dbraw/zinc/26/33/10/430263310.db2.gz ZNVUNLSNNDVCMU-WQVCFCJDSA-N 1 1 303.406 2.900 20 5 DFBDMO Cc1cnccc1CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000582542794 430310411 /nfs/dbraw/zinc/31/04/11/430310411.db2.gz AMDPPUZMWOOVMI-UHFFFAOYSA-N 1 1 313.357 2.735 20 5 DFBDMO Cc1cnccc1CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000582542794 430310413 /nfs/dbraw/zinc/31/04/13/430310413.db2.gz AMDPPUZMWOOVMI-UHFFFAOYSA-N 1 1 313.357 2.735 20 5 DFBDMO C[N@@H+](CCC(=O)NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000546723292 430366521 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C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000571818090 430654523 /nfs/dbraw/zinc/65/45/23/430654523.db2.gz FBYDLBXVXVDIMI-LBPRGKRZSA-N 1 1 305.378 2.504 20 5 DFBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000554885946 430654935 /nfs/dbraw/zinc/65/49/35/430654935.db2.gz HZAHQRWAAFUYDN-HNNXBMFYSA-N 1 1 324.421 2.936 20 5 DFBDMO C[C@@H]1CC[N@H+](CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507157 430633133 /nfs/dbraw/zinc/63/31/33/430633133.db2.gz SCIUIHRQAGFLAV-DYVFJYSZSA-N 1 1 303.406 2.904 20 5 DFBDMO COc1cccc(N[C@H]2CCc3[nH+]c(C)cn3C2)c1[N+](=O)[O-] ZINC000302626357 278018037 /nfs/dbraw/zinc/01/80/37/278018037.db2.gz FPMIRBQWCWCEDA-NSHDSACASA-N 1 1 302.334 2.535 20 5 DFBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000181592632 279229541 /nfs/dbraw/zinc/22/95/41/279229541.db2.gz RZBAXYFLHQCDFS-KBPBESRZSA-N 1 1 310.394 2.701 20 5 DFBDMO Cc1c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000375815640 280213215 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20 5 DFBDMO CCOc1cc(C[N@H+]2CCCO[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000439463401 297126759 /nfs/dbraw/zinc/12/67/59/297126759.db2.gz BLVISOWSKBTXLB-CQSZACIVSA-N 1 1 308.378 2.994 20 5 DFBDMO CSCCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439488290 297129118 /nfs/dbraw/zinc/12/91/18/297129118.db2.gz XEMFYPOJNPCQIU-UHFFFAOYSA-N 1 1 311.407 2.608 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441212235 297176059 /nfs/dbraw/zinc/17/60/59/297176059.db2.gz UAFIXACBUWRACC-STQMWFEESA-N 1 1 308.353 2.982 20 5 DFBDMO C[C@@H]1C[C@H](C)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000443638441 297223638 /nfs/dbraw/zinc/22/36/38/297223638.db2.gz ANWJHNHOIIIJPV-FMKPAKJESA-N 1 1 322.405 2.703 20 5 DFBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000444290701 297235110 /nfs/dbraw/zinc/23/51/10/297235110.db2.gz IEILYFMLRKVCKQ-GRYCIOLGSA-N 1 1 321.377 2.803 20 5 DFBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cncc(F)c1 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COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000027132824 398459511 /nfs/dbraw/zinc/45/95/11/398459511.db2.gz GSZTZNMTGSLHKY-LLVKDONJSA-N 1 1 323.393 2.908 20 5 DFBDMO C[C@@H]([N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000027136745 398459650 /nfs/dbraw/zinc/45/96/50/398459650.db2.gz LHFOUHINJRDNIB-TZMCWYRMSA-N 1 1 310.394 2.701 20 5 DFBDMO CC[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000592770837 398482574 /nfs/dbraw/zinc/48/25/74/398482574.db2.gz DZTFMRUEBNXCQC-JKSUJKDBSA-N 1 1 317.389 2.789 20 5 DFBDMO CC[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000592773304 398482861 /nfs/dbraw/zinc/48/28/61/398482861.db2.gz UCUZSEMBCSRMQU-LSDHHAIUSA-N 1 1 305.378 2.646 20 5 DFBDMO Cc1c(NC(=O)CC[N@H+](C)CC2CCC2)cccc1[N+](=O)[O-] ZINC000111297082 185576040 /nfs/dbraw/zinc/57/60/40/185576040.db2.gz MOKQPRNWWXCOJH-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000030142098 398496361 /nfs/dbraw/zinc/49/63/61/398496361.db2.gz LIYPEOMMAFNISO-ZDUSSCGKSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000030142088 398496414 /nfs/dbraw/zinc/49/64/14/398496414.db2.gz DUOSVVBKADCWDR-CYBMUJFWSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000030142088 398496421 /nfs/dbraw/zinc/49/64/21/398496421.db2.gz DUOSVVBKADCWDR-CYBMUJFWSA-N 1 1 305.378 2.964 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)C(C)C ZINC000030148677 398497082 /nfs/dbraw/zinc/49/70/82/398497082.db2.gz VSFXDWWJIOTIGE-LLVKDONJSA-N 1 1 309.366 2.518 20 5 DFBDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000030269459 398499286 /nfs/dbraw/zinc/49/92/86/398499286.db2.gz JHDWCHXIRUWGMJ-LLVKDONJSA-N 1 1 309.366 2.662 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CC1(C)C ZINC000331019593 232349589 /nfs/dbraw/zinc/34/95/89/232349589.db2.gz WSPWCWQJBVOZHH-LLVKDONJSA-N 1 1 305.378 2.962 20 5 DFBDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000596837443 398510866 /nfs/dbraw/zinc/51/08/66/398510866.db2.gz VFXSVAGYPAXHII-ZDUSSCGKSA-N 1 1 320.393 2.817 20 5 DFBDMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000596844684 398512670 /nfs/dbraw/zinc/51/26/70/398512670.db2.gz ZCQDNZRAOFXTIB-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO CCc1ccc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272653447 210059389 /nfs/dbraw/zinc/05/93/89/210059389.db2.gz FMHYAJPKIIWXGQ-GFCCVEGCSA-N 1 1 317.389 2.537 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279706885 215079346 /nfs/dbraw/zinc/07/93/46/215079346.db2.gz HPBXYQRMRFDXHQ-KGLIPLIRSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279706885 215079351 /nfs/dbraw/zinc/07/93/51/215079351.db2.gz HPBXYQRMRFDXHQ-KGLIPLIRSA-N 1 1 320.389 2.926 20 5 DFBDMO Cc1c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000032732404 398537851 /nfs/dbraw/zinc/53/78/51/398537851.db2.gz FYMGWFOGKOURFW-STQMWFEESA-N 1 1 319.405 2.896 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](C3CC3)C1)OCCO2 ZINC000589209824 398538729 /nfs/dbraw/zinc/53/87/29/398538729.db2.gz URRJHZGHZMJXKW-ZDUSSCGKSA-N 1 1 318.373 2.988 20 5 DFBDMO Cc1[nH+]cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C ZINC000596980233 398540728 /nfs/dbraw/zinc/54/07/28/398540728.db2.gz XCRGYGSUCLUYEG-UHFFFAOYSA-N 1 1 300.362 2.801 20 5 DFBDMO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000068938064 398540139 /nfs/dbraw/zinc/54/01/39/398540139.db2.gz UJKOVBRBTQWFLY-UHFFFAOYSA-N 1 1 314.345 2.566 20 5 DFBDMO CCc1nn(C)c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000091727985 398542563 /nfs/dbraw/zinc/54/25/63/398542563.db2.gz CONOMRZNKWYNHH-ZDUSSCGKSA-N 1 1 321.425 2.567 20 5 DFBDMO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593092100 398544082 /nfs/dbraw/zinc/54/40/82/398544082.db2.gz MMHQZCAZDYCEJB-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593092100 398544085 /nfs/dbraw/zinc/54/40/85/398544085.db2.gz MMHQZCAZDYCEJB-ZDUSSCGKSA-N 1 1 306.362 2.617 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000589503249 398557589 /nfs/dbraw/zinc/55/75/89/398557589.db2.gz LFZNYIQCIODPJM-CYBMUJFWSA-N 1 1 304.346 2.613 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000589500079 398556954 /nfs/dbraw/zinc/55/69/54/398556954.db2.gz RADOKXBQEQGWMX-BETUJISGSA-N 1 1 304.346 2.613 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCS1 ZINC000589502404 398557154 /nfs/dbraw/zinc/55/71/54/398557154.db2.gz SATJDWPQWQHODW-ZDUSSCGKSA-N 1 1 324.402 2.709 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCS1 ZINC000589502404 398557159 /nfs/dbraw/zinc/55/71/59/398557159.db2.gz SATJDWPQWQHODW-ZDUSSCGKSA-N 1 1 324.402 2.709 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(C[NH3+])cc1F ZINC000593315818 398596810 /nfs/dbraw/zinc/59/68/10/398596810.db2.gz FHOFROKFMCFHOR-UHFFFAOYSA-N 1 1 303.337 2.791 20 5 DFBDMO Cc1c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000043084841 398611896 /nfs/dbraw/zinc/61/18/96/398611896.db2.gz FYMGWFOGKOURFW-QWHCGFSZSA-N 1 1 319.405 2.896 20 5 DFBDMO C[C@@H](c1cccnc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000093234888 398625519 /nfs/dbraw/zinc/62/55/19/398625519.db2.gz UWAXVCRXDDTJIM-LRDDRELGSA-N 1 1 301.346 2.716 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000152685009 186097044 /nfs/dbraw/zinc/09/70/44/186097044.db2.gz SLBXQLOIFQEYLO-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000152685009 186097046 /nfs/dbraw/zinc/09/70/46/186097046.db2.gz SLBXQLOIFQEYLO-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO CCOC[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000459705949 299168496 /nfs/dbraw/zinc/16/84/96/299168496.db2.gz IGOJHNSMAATHHI-OAHLLOKOSA-N 1 1 308.378 2.865 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465151 398636757 /nfs/dbraw/zinc/63/67/57/398636757.db2.gz JVEGZZZWAUAJIE-LBPRGKRZSA-N 1 1 323.356 2.870 20 5 DFBDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000459709115 299169565 /nfs/dbraw/zinc/16/95/65/299169565.db2.gz TUBPOKSDQQHOJX-OAHLLOKOSA-N 1 1 308.378 2.994 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173331350 186176976 /nfs/dbraw/zinc/17/69/76/186176976.db2.gz DRCFVPAIQCMCKN-UKRRQHHQSA-N 1 1 318.377 2.685 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000072870464 398643918 /nfs/dbraw/zinc/64/39/18/398643918.db2.gz GWGBCIWKDNOZRE-BETUJISGSA-N 1 1 305.378 2.820 20 5 DFBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000590661483 398647388 /nfs/dbraw/zinc/64/73/88/398647388.db2.gz XJLVTERTYRBKHX-IAQYHMDHSA-N 1 1 302.330 2.810 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459713297 299171075 /nfs/dbraw/zinc/17/10/75/299171075.db2.gz KTUYAFIUICIVMX-SWLSCSKDSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459713297 299171078 /nfs/dbraw/zinc/17/10/78/299171078.db2.gz KTUYAFIUICIVMX-SWLSCSKDSA-N 1 1 306.337 2.735 20 5 DFBDMO CC[N@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000590695588 398653537 /nfs/dbraw/zinc/65/35/37/398653537.db2.gz FXXNDTWUKZBHGR-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO CCc1nn(C)c(NCCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000094136729 398654135 /nfs/dbraw/zinc/65/41/35/398654135.db2.gz WQCUJLXFNKLZHU-ZDUSSCGKSA-N 1 1 323.441 2.957 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cc1 ZINC000459730339 299174796 /nfs/dbraw/zinc/17/47/96/299174796.db2.gz SKYOQTYSNRCSCY-JKSUJKDBSA-N 1 1 302.374 2.638 20 5 DFBDMO Cn1cc[nH+]c1CC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000105793551 282741041 /nfs/dbraw/zinc/74/10/41/282741041.db2.gz SLLWKWVGKZJBHN-UHFFFAOYSA-N 1 1 300.362 2.787 20 5 DFBDMO COC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172178253 198052535 /nfs/dbraw/zinc/05/25/35/198052535.db2.gz WJZLCLQBWREOPU-JTQLQIEISA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172178253 198052536 /nfs/dbraw/zinc/05/25/36/198052536.db2.gz WJZLCLQBWREOPU-JTQLQIEISA-N 1 1 312.753 2.633 20 5 DFBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172420383 198095106 /nfs/dbraw/zinc/09/51/06/198095106.db2.gz LJIBPRWWOJACCT-UHFFFAOYSA-N 1 1 323.418 2.747 20 5 DFBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C1CC1 ZINC000593696173 398673355 /nfs/dbraw/zinc/67/33/55/398673355.db2.gz FICMOMAYXAYIEH-JKSUJKDBSA-N 1 1 318.373 2.534 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000172864537 198160535 /nfs/dbraw/zinc/16/05/35/198160535.db2.gz AJXMRGWLAFWLCZ-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000172864537 198160537 /nfs/dbraw/zinc/16/05/37/198160537.db2.gz AJXMRGWLAFWLCZ-NWDGAFQWSA-N 1 1 321.377 2.662 20 5 DFBDMO CN(C(=O)C[N@H+]1CCC[C@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000072693539 191216668 /nfs/dbraw/zinc/21/66/68/191216668.db2.gz UOIHMNDDCDZSQO-CJNGLKHVSA-N 1 1 317.389 2.822 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172958720 198171254 /nfs/dbraw/zinc/17/12/54/198171254.db2.gz WRCRQQNAISCVSV-OKILXGFUSA-N 1 1 317.389 2.820 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(C)(C)C1 ZINC000072827615 191234762 /nfs/dbraw/zinc/23/47/62/191234762.db2.gz KYEYORNDGKSVNJ-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000173100467 198184554 /nfs/dbraw/zinc/18/45/54/198184554.db2.gz OBPUPXQAGNLJMT-CYBMUJFWSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000277134349 213316835 /nfs/dbraw/zinc/31/68/35/213316835.db2.gz PTSOWMPRXUISEK-CQSZACIVSA-N 1 1 320.437 2.589 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000597859777 398706134 /nfs/dbraw/zinc/70/61/34/398706134.db2.gz XRIYDHTXSAAZNY-HNNXBMFYSA-N 1 1 319.405 2.516 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000046374633 398705461 /nfs/dbraw/zinc/70/54/61/398705461.db2.gz VZUAURCIQZAEIT-LBPRGKRZSA-N 1 1 306.366 2.591 20 5 DFBDMO Cc1c(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000174757201 198380697 /nfs/dbraw/zinc/38/06/97/198380697.db2.gz CZKUMEQPFKLYTK-QWHCGFSZSA-N 1 1 318.377 2.604 20 5 DFBDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174869222 198394922 /nfs/dbraw/zinc/39/49/22/198394922.db2.gz FSWYSGVJTAQAGN-JSGCOSHPSA-N 1 1 318.352 2.808 20 5 DFBDMO Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000046857920 398721271 /nfs/dbraw/zinc/72/12/71/398721271.db2.gz HOUCWRVUXLKESB-ZDUSSCGKSA-N 1 1 305.378 2.507 20 5 DFBDMO COc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000277026772 213247879 /nfs/dbraw/zinc/24/78/79/213247879.db2.gz NPQKEBCTDMMPDE-OCCSQVGLSA-N 1 1 305.378 2.524 20 5 DFBDMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046952538 398727598 /nfs/dbraw/zinc/72/75/98/398727598.db2.gz FXWDPOQXRHBJHN-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO CC(C)OC(=O)[C@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000130062219 283038350 /nfs/dbraw/zinc/03/83/50/283038350.db2.gz CXCDKMWAWUZHFF-ZDUSSCGKSA-N 1 1 324.377 2.636 20 5 DFBDMO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000130062219 283038356 /nfs/dbraw/zinc/03/83/56/283038356.db2.gz CXCDKMWAWUZHFF-ZDUSSCGKSA-N 1 1 324.377 2.636 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047187631 398738668 /nfs/dbraw/zinc/73/86/68/398738668.db2.gz DWFAOSNPEPCOFL-CQSZACIVSA-N 1 1 319.405 2.979 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1 ZINC000591357453 398752298 /nfs/dbraw/zinc/75/22/98/398752298.db2.gz QYISHWLYVYEGGN-SDDRHHMPSA-N 1 1 306.362 2.858 20 5 DFBDMO CCCC[N@@H+](CC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132644817 283125421 /nfs/dbraw/zinc/12/54/21/283125421.db2.gz VZNOTLQMBVNCOV-OAHLLOKOSA-N 1 1 305.378 2.822 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000080164224 192008626 /nfs/dbraw/zinc/00/86/26/192008626.db2.gz YEVJUDTZGPRSND-ZDUSSCGKSA-N 1 1 320.393 2.709 20 5 DFBDMO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000074726045 398762185 /nfs/dbraw/zinc/76/21/85/398762185.db2.gz GOSGMOBINKFZBU-HNNXBMFYSA-N 1 1 312.373 2.985 20 5 DFBDMO Cc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000080716601 192184659 /nfs/dbraw/zinc/18/46/59/192184659.db2.gz JOHWNQBMSHSTDV-AGUYFDCRSA-N 1 1 317.389 2.648 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594199371 398764046 /nfs/dbraw/zinc/76/40/46/398764046.db2.gz YDCFZSKLOCHSPQ-CVEARBPZSA-N 1 1 317.389 2.650 20 5 DFBDMO Cc1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074768092 398765563 /nfs/dbraw/zinc/76/55/63/398765563.db2.gz HTKLUEWEJVATFH-AWEZNQCLSA-N 1 1 304.394 2.975 20 5 DFBDMO Cc1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594204682 398765799 /nfs/dbraw/zinc/76/57/99/398765799.db2.gz WQQGADSYDXSRAK-HOCLYGCPSA-N 1 1 317.389 2.650 20 5 DFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000074772726 398765822 /nfs/dbraw/zinc/76/58/22/398765822.db2.gz SXQVSPYVRWMFIQ-GFCCVEGCSA-N 1 1 324.812 2.811 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000591480111 398767367 /nfs/dbraw/zinc/76/73/67/398767367.db2.gz FEDCYOWEKPOXGT-OAHLLOKOSA-N 1 1 320.389 2.743 20 5 DFBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000598217744 398772666 /nfs/dbraw/zinc/77/26/66/398772666.db2.gz AVCMLQLALWMGLB-LBPRGKRZSA-N 1 1 323.418 2.793 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCCN1)C1CC1 ZINC000591578042 398772773 /nfs/dbraw/zinc/77/27/73/398772773.db2.gz PAYLWBHBHNJPBI-HZPDHXFCSA-N 1 1 303.406 2.648 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCCN1)C1CC1 ZINC000591578041 398772874 /nfs/dbraw/zinc/77/28/74/398772874.db2.gz PAYLWBHBHNJPBI-HOTGVXAUSA-N 1 1 303.406 2.648 20 5 DFBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000134096469 283173152 /nfs/dbraw/zinc/17/31/52/283173152.db2.gz ONOUOMOPWSCMEL-UHFFFAOYSA-N 1 1 303.387 2.979 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276922143 213177029 /nfs/dbraw/zinc/17/70/29/213177029.db2.gz PGGXUOMWJVFOHZ-WBMJQRKESA-N 1 1 308.378 2.850 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276872589 213147664 /nfs/dbraw/zinc/14/76/64/213147664.db2.gz HSSGNAQEOQKJSV-JSGCOSHPSA-N 1 1 308.378 2.729 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276859369 213137489 /nfs/dbraw/zinc/13/74/89/213137489.db2.gz GCGDSIMQJNPCCH-CQSZACIVSA-N 1 1 308.378 2.852 20 5 DFBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000292361584 223020692 /nfs/dbraw/zinc/02/06/92/223020692.db2.gz LSYVMJPDCYVCJC-ZDUSSCGKSA-N 1 1 317.389 2.541 20 5 DFBDMO CCC[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000466490941 299263450 /nfs/dbraw/zinc/26/34/50/299263450.db2.gz PSHGSJLODOCOIY-GOEBONIOSA-N 1 1 322.405 2.847 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594494925 398809504 /nfs/dbraw/zinc/80/95/04/398809504.db2.gz LLHFRDYQAFQZCA-CZUORRHYSA-N 1 1 301.390 2.656 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594494925 398809506 /nfs/dbraw/zinc/80/95/06/398809506.db2.gz LLHFRDYQAFQZCA-CZUORRHYSA-N 1 1 301.390 2.656 20 5 DFBDMO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+]1CCc2ccccc2C1 ZINC000075607227 398812629 /nfs/dbraw/zinc/81/26/29/398812629.db2.gz UYEZGDJIDIFCBM-CYBMUJFWSA-N 1 1 312.373 2.849 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000598466800 398817982 /nfs/dbraw/zinc/81/79/82/398817982.db2.gz VVVMTINNORDKSR-UHFFFAOYSA-N 1 1 311.357 2.584 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1N[C@@H]1CCC[N@H+]3CCCC[C@H]13)CCN2 ZINC000594602510 398829371 /nfs/dbraw/zinc/82/93/71/398829371.db2.gz QUTRQPURBYRLEJ-HUUCEWRRSA-N 1 1 316.405 2.992 20 5 DFBDMO CC[N@@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179912458 199093834 /nfs/dbraw/zinc/09/38/34/199093834.db2.gz DBJSZXDRRSMLOT-UHFFFAOYSA-N 1 1 304.293 2.699 20 5 DFBDMO C[N@@H+](Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)C1CCCCC1 ZINC000594640347 398835451 /nfs/dbraw/zinc/83/54/51/398835451.db2.gz KFLMCRVXGPVKEI-UHFFFAOYSA-N 1 1 315.377 2.940 20 5 DFBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC3[N+](=O)[O-])c2C1 ZINC000076171059 398845391 /nfs/dbraw/zinc/84/53/91/398845391.db2.gz JUNKORYTAYIEPT-BBRMVZONSA-N 1 1 317.389 2.652 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](C(F)F)C2CCCCC2)n1 ZINC000598649905 398847344 /nfs/dbraw/zinc/84/73/44/398847344.db2.gz NMXDQBABKBXBJR-GFCCVEGCSA-N 1 1 302.325 2.595 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000052869344 398854330 /nfs/dbraw/zinc/85/43/30/398854330.db2.gz SRRZGJPPEMHUOX-GXTWGEPZSA-N 1 1 321.377 2.866 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000052869344 398854332 /nfs/dbraw/zinc/85/43/32/398854332.db2.gz SRRZGJPPEMHUOX-GXTWGEPZSA-N 1 1 321.377 2.866 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134774256 398867888 /nfs/dbraw/zinc/86/78/88/398867888.db2.gz GPEANHGSBDHYGG-SNVBAGLBSA-N 1 1 313.785 2.708 20 5 DFBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000053391573 398871608 /nfs/dbraw/zinc/87/16/08/398871608.db2.gz LAZKLRBETGLXAP-CYBMUJFWSA-N 1 1 319.405 2.835 20 5 DFBDMO CCCCNC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153324687 283362861 /nfs/dbraw/zinc/36/28/61/283362861.db2.gz OFKGMMRNEXKTQS-UHFFFAOYSA-N 1 1 319.405 2.866 20 5 DFBDMO COc1ccc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594957223 398880800 /nfs/dbraw/zinc/88/08/00/398880800.db2.gz QJPCUUPMSUWLPJ-CYBMUJFWSA-N 1 1 307.394 2.566 20 5 DFBDMO COc1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594957223 398880802 /nfs/dbraw/zinc/88/08/02/398880802.db2.gz QJPCUUPMSUWLPJ-CYBMUJFWSA-N 1 1 307.394 2.566 20 5 DFBDMO C[C@@H](O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000595006396 398890082 /nfs/dbraw/zinc/89/00/82/398890082.db2.gz JQCLAOBWIYMMGF-BDJLRTHQSA-N 1 1 304.321 2.946 20 5 DFBDMO CC(C)[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000140523176 398891375 /nfs/dbraw/zinc/89/13/75/398891375.db2.gz PAEUEUUUWYPUMN-OAHLLOKOSA-N 1 1 317.389 2.604 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000595012857 398891665 /nfs/dbraw/zinc/89/16/65/398891665.db2.gz PIXJLUKBNKNVOM-NEPJUHHUSA-N 1 1 307.394 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000595012857 398891669 /nfs/dbraw/zinc/89/16/69/398891669.db2.gz PIXJLUKBNKNVOM-NEPJUHHUSA-N 1 1 307.394 2.737 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000595036123 398895584 /nfs/dbraw/zinc/89/55/84/398895584.db2.gz PJTALCGXQGJSKV-UFBFGSQYSA-N 1 1 322.283 2.567 20 5 DFBDMO CC[N@@H+](CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595045196 398897371 /nfs/dbraw/zinc/89/73/71/398897371.db2.gz YGWVJUXCKNXGPT-GFCCVEGCSA-N 1 1 307.394 2.738 20 5 DFBDMO CCN(CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595045196 398897373 /nfs/dbraw/zinc/89/73/73/398897373.db2.gz YGWVJUXCKNXGPT-GFCCVEGCSA-N 1 1 307.394 2.738 20 5 DFBDMO CCC[N@H+]1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095308 398904511 /nfs/dbraw/zinc/90/45/11/398904511.db2.gz IHYYQJDEVKUTKH-CHWSQXEVSA-N 1 1 307.394 2.738 20 5 DFBDMO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095308 398904516 /nfs/dbraw/zinc/90/45/16/398904516.db2.gz IHYYQJDEVKUTKH-CHWSQXEVSA-N 1 1 307.394 2.738 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000470204608 299293051 /nfs/dbraw/zinc/29/30/51/299293051.db2.gz AMYSNKNCUXGEPC-SUILRRHFSA-N 1 1 302.374 2.701 20 5 DFBDMO COc1ccc(CCC[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595296006 398917703 /nfs/dbraw/zinc/91/77/03/398917703.db2.gz VFQDGGGBZCPUBR-UHFFFAOYSA-N 1 1 319.361 2.964 20 5 DFBDMO COc1ccc(CCC[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595296006 398917706 /nfs/dbraw/zinc/91/77/06/398917706.db2.gz VFQDGGGBZCPUBR-UHFFFAOYSA-N 1 1 319.361 2.964 20 5 DFBDMO Cc1noc(C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000595295020 398918090 /nfs/dbraw/zinc/91/80/90/398918090.db2.gz FWKBIYQDQLOUOH-UHFFFAOYSA-N 1 1 320.324 2.805 20 5 DFBDMO Cc1noc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595299940 398918635 /nfs/dbraw/zinc/91/86/35/398918635.db2.gz HQJMNVLZMWFCAO-AWEZNQCLSA-N 1 1 317.345 2.855 20 5 DFBDMO Cc1noc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595299940 398918637 /nfs/dbraw/zinc/91/86/37/398918637.db2.gz HQJMNVLZMWFCAO-AWEZNQCLSA-N 1 1 317.345 2.855 20 5 DFBDMO COc1ccc([C@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1 ZINC000595308003 398920440 /nfs/dbraw/zinc/92/04/40/398920440.db2.gz YRBHZQXAMSBPOW-ZDUSSCGKSA-N 1 1 317.345 2.889 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000281146953 216110990 /nfs/dbraw/zinc/11/09/90/216110990.db2.gz WASPVPUMWTZJLV-UHFFFAOYSA-N 1 1 318.377 2.595 20 5 DFBDMO C[N@H+](CCOCC(F)(F)C(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000188618570 200275703 /nfs/dbraw/zinc/27/57/03/200275703.db2.gz XGDKIUPCLXJDPJ-UHFFFAOYSA-N 1 1 324.274 2.944 20 5 DFBDMO C[N@@H+](CCOCC(F)(F)C(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000188618570 200275705 /nfs/dbraw/zinc/27/57/05/200275705.db2.gz XGDKIUPCLXJDPJ-UHFFFAOYSA-N 1 1 324.274 2.944 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000595389246 398930563 /nfs/dbraw/zinc/93/05/63/398930563.db2.gz NZZBQZHYJUOWHM-ZDUSSCGKSA-N 1 1 308.353 2.982 20 5 DFBDMO CO[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCOC1 ZINC000595403831 398932862 /nfs/dbraw/zinc/93/28/62/398932862.db2.gz JKAVUFGFEVEIKB-PBHICJAKSA-N 1 1 320.389 2.611 20 5 DFBDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595432930 398937448 /nfs/dbraw/zinc/93/74/48/398937448.db2.gz WRARCFNZTZXOMI-OAHLLOKOSA-N 1 1 304.321 2.866 20 5 DFBDMO CCO[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000155425868 398946358 /nfs/dbraw/zinc/94/63/58/398946358.db2.gz QHOOYPVZPNBPTK-ZDUSSCGKSA-N 1 1 324.377 2.613 20 5 DFBDMO CCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000155425868 398946361 /nfs/dbraw/zinc/94/63/61/398946361.db2.gz QHOOYPVZPNBPTK-ZDUSSCGKSA-N 1 1 324.377 2.613 20 5 DFBDMO Cc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)[nH+]c1 ZINC000078305500 398947458 /nfs/dbraw/zinc/94/74/58/398947458.db2.gz QNKSDECWBGZNIZ-UHFFFAOYSA-N 1 1 313.361 2.774 20 5 DFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000595503319 398951961 /nfs/dbraw/zinc/95/19/61/398951961.db2.gz RJCLTMALPSJHFV-INIZCTEOSA-N 1 1 318.348 2.769 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@@H](CC)C1 ZINC000281342378 216236605 /nfs/dbraw/zinc/23/66/05/216236605.db2.gz STFHMOHOXRHMPF-HNNXBMFYSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@@H](CC)C1 ZINC000281342378 216236610 /nfs/dbraw/zinc/23/66/10/216236610.db2.gz STFHMOHOXRHMPF-HNNXBMFYSA-N 1 1 308.378 2.994 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000595537725 398959295 /nfs/dbraw/zinc/95/92/95/398959295.db2.gz GFDDBDMUJVIYHP-UKRRQHHQSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000595537725 398959297 /nfs/dbraw/zinc/95/92/97/398959297.db2.gz GFDDBDMUJVIYHP-UKRRQHHQSA-N 1 1 306.337 2.735 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](O)C23CCCC3)c(F)c1 ZINC000292637842 223178686 /nfs/dbraw/zinc/17/86/86/223178686.db2.gz HFODVWQKDFNWER-CQSZACIVSA-N 1 1 312.316 2.752 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](O)C23CCCC3)c(F)c1 ZINC000292637842 223178687 /nfs/dbraw/zinc/17/86/87/223178687.db2.gz HFODVWQKDFNWER-CQSZACIVSA-N 1 1 312.316 2.752 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000078562970 398967042 /nfs/dbraw/zinc/96/70/42/398967042.db2.gz DRWYYQDBPHKKRF-LLVKDONJSA-N 1 1 312.801 2.811 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000595562114 398972671 /nfs/dbraw/zinc/97/26/71/398972671.db2.gz NHHYXDYZZAGSCT-NHYWBVRUSA-N 1 1 304.346 2.836 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000595562114 398972676 /nfs/dbraw/zinc/97/26/76/398972676.db2.gz NHHYXDYZZAGSCT-NHYWBVRUSA-N 1 1 304.346 2.836 20 5 DFBDMO CCOC(=O)CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595561641 398972749 /nfs/dbraw/zinc/97/27/49/398972749.db2.gz KJVXLDOBXPCNQH-UHFFFAOYSA-N 1 1 312.341 2.898 20 5 DFBDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000193793057 201124151 /nfs/dbraw/zinc/12/41/51/201124151.db2.gz YTQQRFGREAAHMJ-CYBMUJFWSA-N 1 1 309.322 2.504 20 5 DFBDMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000193793057 201124155 /nfs/dbraw/zinc/12/41/55/201124155.db2.gz YTQQRFGREAAHMJ-CYBMUJFWSA-N 1 1 309.322 2.504 20 5 DFBDMO C[N@H+](CCc1ccncc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194629463 201265103 /nfs/dbraw/zinc/26/51/03/201265103.db2.gz LNHFFPQETLMOTR-UHFFFAOYSA-N 1 1 316.317 2.573 20 5 DFBDMO C[N@@H+](CCc1ccncc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194629463 201265106 /nfs/dbraw/zinc/26/51/06/201265106.db2.gz LNHFFPQETLMOTR-UHFFFAOYSA-N 1 1 316.317 2.573 20 5 DFBDMO CC[C@@H](C)[N@@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595602924 398993019 /nfs/dbraw/zinc/99/30/19/398993019.db2.gz YKPQANCOXXJYDW-GFCCVEGCSA-N 1 1 305.378 2.604 20 5 DFBDMO COc1ccc(C[NH+]2CC(Cc3ccco3)C2)cc1[N+](=O)[O-] ZINC000600197665 399000713 /nfs/dbraw/zinc/00/07/13/399000713.db2.gz OOSBLFMHDPXFTN-UHFFFAOYSA-N 1 1 302.330 2.871 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1(C)COC1 ZINC000599571732 399017989 /nfs/dbraw/zinc/01/79/89/399017989.db2.gz STODRMDTQQAGDV-UHFFFAOYSA-N 1 1 308.378 2.850 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+](C3CC3)C3CC3)n2)cc1 ZINC000599598501 399025753 /nfs/dbraw/zinc/02/57/53/399025753.db2.gz DKVUNPCDLYANSA-UHFFFAOYSA-N 1 1 300.318 2.772 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCn2cc[nH+]c2C1 ZINC000618168037 399028780 /nfs/dbraw/zinc/02/87/80/399028780.db2.gz XXKGGEGKFHYNEC-VIFPVBQESA-N 1 1 307.741 2.514 20 5 DFBDMO CN(C[C@@H]1CCn2cc[nH+]c2C1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000618168009 399028862 /nfs/dbraw/zinc/02/88/62/399028862.db2.gz VQISSWOJQOLGTQ-SNVBAGLBSA-N 1 1 321.768 2.539 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000618167913 399029148 /nfs/dbraw/zinc/02/91/48/399029148.db2.gz LQFUOVYQBIPWKS-ZDUSSCGKSA-N 1 1 300.362 2.799 20 5 DFBDMO CCOc1cc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000595688478 399035545 /nfs/dbraw/zinc/03/55/45/399035545.db2.gz HTPSIPNEUYMWAM-CALCHBBNSA-N 1 1 320.389 2.852 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632541 399035896 /nfs/dbraw/zinc/03/58/96/399035896.db2.gz YLLXJCZVUPTWML-AYMFLGRJSA-N 1 1 308.403 2.641 20 5 DFBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267346616 284062205 /nfs/dbraw/zinc/06/22/05/284062205.db2.gz LBEAUKVAQIQMFQ-CHWSQXEVSA-N 1 1 323.780 2.605 20 5 DFBDMO CO[C@H](CC(C)C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000419225091 296128653 /nfs/dbraw/zinc/12/86/53/296128653.db2.gz OQIVYBVDJQSBFT-DZGCQCFKSA-N 1 1 322.409 2.537 20 5 DFBDMO CO[C@@H](CC(C)C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000419225094 296128874 /nfs/dbraw/zinc/12/88/74/296128874.db2.gz OQIVYBVDJQSBFT-ZFWWWQNUSA-N 1 1 322.409 2.537 20 5 DFBDMO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000058891401 399100289 /nfs/dbraw/zinc/10/02/89/399100289.db2.gz NORTUDTZYICMIB-QWRGUYRKSA-N 1 1 311.407 2.507 20 5 DFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830180 399101991 /nfs/dbraw/zinc/10/19/91/399101991.db2.gz CZCSEPNFIFDGAD-UONOGXRCSA-N 1 1 317.389 2.600 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419338923 296135881 /nfs/dbraw/zinc/13/58/81/296135881.db2.gz CMFXCPWGGREJDP-SRVKXCTJSA-N 1 1 321.377 2.518 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000595833738 399105859 /nfs/dbraw/zinc/10/58/59/399105859.db2.gz LNDLSIKRIBTOGT-AWEZNQCLSA-N 1 1 317.389 2.706 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419338920 296135997 /nfs/dbraw/zinc/13/59/97/296135997.db2.gz CMFXCPWGGREJDP-SDDRHHMPSA-N 1 1 321.377 2.518 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000093097687 193203666 /nfs/dbraw/zinc/20/36/66/193203666.db2.gz CVGBAENYTYNKIE-UHFFFAOYSA-N 1 1 312.753 2.587 20 5 DFBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H](C)[C@H]1C ZINC000419375463 296137749 /nfs/dbraw/zinc/13/77/49/296137749.db2.gz RNFLXUDVJXLQJT-LMOYCYGVSA-N 1 1 317.389 2.676 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419380424 296138156 /nfs/dbraw/zinc/13/81/56/296138156.db2.gz XKJOHRNBAFPMAR-MROQNXINSA-N 1 1 305.378 2.898 20 5 DFBDMO CC(C)NC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595849052 399112586 /nfs/dbraw/zinc/11/25/86/399112586.db2.gz DWSRUBUPEYSROP-KBPBESRZSA-N 1 1 319.405 2.892 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595874419 399118600 /nfs/dbraw/zinc/11/86/00/399118600.db2.gz OMTLANRZFNRVCJ-CXAGYDPISA-N 1 1 322.405 2.832 20 5 DFBDMO C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000600708826 399120672 /nfs/dbraw/zinc/12/06/72/399120672.db2.gz GPDZCQOVHCHBLA-WQVCFCJDSA-N 1 1 303.406 2.646 20 5 DFBDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093481303 193257992 /nfs/dbraw/zinc/25/79/92/193257992.db2.gz SMNSFHPGQWDIOT-VIFPVBQESA-N 1 1 317.183 2.560 20 5 DFBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)nc1 ZINC000093534276 193266652 /nfs/dbraw/zinc/26/66/52/193266652.db2.gz FBZBIPSEDVBWSV-KBPBESRZSA-N 1 1 302.378 2.832 20 5 DFBDMO C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1cccc([N+](=O)[O-])c1 ZINC000093687301 193290060 /nfs/dbraw/zinc/29/00/60/193290060.db2.gz FDTBPWCGLRJMES-VIFPVBQESA-N 1 1 305.359 2.606 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000264635825 204044406 /nfs/dbraw/zinc/04/44/06/204044406.db2.gz WGPFNDKRQNOQLZ-CHWSQXEVSA-N 1 1 318.295 2.791 20 5 DFBDMO O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596058386 399157788 /nfs/dbraw/zinc/15/77/88/399157788.db2.gz GOFIMBKEKBJBRJ-HNNXBMFYSA-N 1 1 303.406 2.806 20 5 DFBDMO COCCCn1nccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000282578017 217100891 /nfs/dbraw/zinc/10/08/91/217100891.db2.gz FWSRJGVAUJEZGL-ZDUSSCGKSA-N 1 1 318.377 2.679 20 5 DFBDMO Cc1sc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000080718202 399173639 /nfs/dbraw/zinc/17/36/39/399173639.db2.gz ZRPOMPQYYGFEGK-YOGCLGLASA-N 1 1 323.418 2.710 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000282650398 217152621 /nfs/dbraw/zinc/15/26/21/217152621.db2.gz CIFNWUVZOXBEDR-DOMZBBRYSA-N 1 1 310.369 2.963 20 5 DFBDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000063516887 399192524 /nfs/dbraw/zinc/19/25/24/399192524.db2.gz NPEKCUUIRAPWOR-INIZCTEOSA-N 1 1 317.389 2.572 20 5 DFBDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000063516887 399192527 /nfs/dbraw/zinc/19/25/27/399192527.db2.gz NPEKCUUIRAPWOR-INIZCTEOSA-N 1 1 317.389 2.572 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C1CC1 ZINC000063615531 399198385 /nfs/dbraw/zinc/19/83/85/399198385.db2.gz MCDHYNXIWVCWPG-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000266286681 205239293 /nfs/dbraw/zinc/23/92/93/205239293.db2.gz VSZPCFPQGRQSNQ-GXFFZTMASA-N 1 1 312.801 2.810 20 5 DFBDMO CC(C)[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000063618759 399197636 /nfs/dbraw/zinc/19/76/36/399197636.db2.gz NIJMSWNKUOEHEW-HNNXBMFYSA-N 1 1 305.378 2.678 20 5 DFBDMO CC(C)[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000063618862 399198103 /nfs/dbraw/zinc/19/81/03/399198103.db2.gz PAEUEUUUWYPUMN-HNNXBMFYSA-N 1 1 317.389 2.604 20 5 DFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(C(C)(C)C)nn1 ZINC000282838678 217284720 /nfs/dbraw/zinc/28/47/20/217284720.db2.gz CKWUFDNZDDMNKC-UHFFFAOYSA-N 1 1 317.393 2.616 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(C(C)(C)C)nn1 ZINC000282838678 217284723 /nfs/dbraw/zinc/28/47/23/217284723.db2.gz CKWUFDNZDDMNKC-UHFFFAOYSA-N 1 1 317.393 2.616 20 5 DFBDMO CN(C[C@H]1CCC[N@H+]1C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000420631536 296194237 /nfs/dbraw/zinc/19/42/37/296194237.db2.gz GUKRRHGRFAZKGK-CQSZACIVSA-N 1 1 300.362 2.673 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000267262384 205932732 /nfs/dbraw/zinc/93/27/32/205932732.db2.gz XDFHHUQALSPXSD-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cncc(OC)c1C ZINC000601106523 399229106 /nfs/dbraw/zinc/22/91/06/399229106.db2.gz YUEDCXBNXZQQCR-UHFFFAOYSA-N 1 1 317.345 2.605 20 5 DFBDMO Cc1nn(C)cc1[C@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601110488 399230690 /nfs/dbraw/zinc/23/06/90/399230690.db2.gz HBTLUAVVRFNRRI-JTQLQIEISA-N 1 1 311.345 2.780 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3CCC[C@H](O)C3)c2c1 ZINC000601119071 399232315 /nfs/dbraw/zinc/23/23/15/399232315.db2.gz LTUUARJYIYCQQS-AAEUAGOBSA-N 1 1 301.346 2.528 20 5 DFBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000064804741 399232791 /nfs/dbraw/zinc/23/27/91/399232791.db2.gz HUNRRWOROSEXCQ-UHFFFAOYSA-N 1 1 319.386 2.518 20 5 DFBDMO C[C@H](C[C@@H]1CCOC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601130566 399236788 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O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H]3CCC[C@@H]3CCO)c2c1 ZINC000601150156 399241517 /nfs/dbraw/zinc/24/15/17/399241517.db2.gz XGOMOBKPGXVREZ-BXUZGUMPSA-N 1 1 301.346 2.528 20 5 DFBDMO CC[N@@H+](CCOc1ccccc1C)CCn1cc([N+](=O)[O-])cn1 ZINC000420969628 296219166 /nfs/dbraw/zinc/21/91/66/296219166.db2.gz CTUIORXKIJDRHT-UHFFFAOYSA-N 1 1 318.377 2.501 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H]4CC[C@@H](O)C[C@H]4C3)c2c1 ZINC000601177177 399249400 /nfs/dbraw/zinc/24/94/00/399249400.db2.gz WISCXIJDJDBYNW-SGMGOOAPSA-N 1 1 313.357 2.740 20 5 DFBDMO C[C@H](CO)C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601185253 399250619 /nfs/dbraw/zinc/25/06/19/399250619.db2.gz SJQMWZWWQRGJBI-GFCCVEGCSA-N 1 1 315.373 2.988 20 5 DFBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1(C)C ZINC000601186088 399250548 /nfs/dbraw/zinc/25/05/48/399250548.db2.gz FTWBIMBPYFKIQD-UHFFFAOYSA-N 1 1 318.299 2.539 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CCO)CC2)ccc1[N+](=O)[O-] ZINC000421008616 296224053 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CC[N@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000610678630 399392067 /nfs/dbraw/zinc/39/20/67/399392067.db2.gz XPTWXEGLPRROKV-SMDDNHRTSA-N 1 1 300.362 2.895 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc(Cl)s1 ZINC000610677113 399392214 /nfs/dbraw/zinc/39/22/14/399392214.db2.gz KINAPIIIXLZQQH-UHFFFAOYSA-N 1 1 314.798 2.947 20 5 DFBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000110974893 194376574 /nfs/dbraw/zinc/37/65/74/194376574.db2.gz SHTANTRDAIVTLD-LBPRGKRZSA-N 1 1 323.393 2.818 20 5 DFBDMO Cc1c(CNC(=O)Cn2cc[nH+]c2C(C)C)cccc1[N+](=O)[O-] ZINC000602147069 399401440 /nfs/dbraw/zinc/40/14/40/399401440.db2.gz DYBQPLXRUOUTPO-UHFFFAOYSA-N 1 1 316.361 2.540 20 5 DFBDMO CCc1ccc([C@@H]([NH2+]C[C@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346453791 284863455 /nfs/dbraw/zinc/86/34/55/284863455.db2.gz YMHLYKRERWYUTH-ZBEGNZNMSA-N 1 1 304.346 2.810 20 5 DFBDMO CC[C@H](NCC[N@H+](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000268919994 207086788 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DFBDMO COc1cc(N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000611255920 399452741 /nfs/dbraw/zinc/45/27/41/399452741.db2.gz UMFACRWSRZLBMM-OLZOCXBDSA-N 1 1 323.368 2.806 20 5 DFBDMO C[C@H](O)CC[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602471985 399452943 /nfs/dbraw/zinc/45/29/43/399452943.db2.gz DXWZNNQDECQHJK-ZETCQYMHSA-N 1 1 323.212 2.622 20 5 DFBDMO C[C@H](O)CC[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602471985 399452945 /nfs/dbraw/zinc/45/29/45/399452945.db2.gz DXWZNNQDECQHJK-ZETCQYMHSA-N 1 1 323.212 2.622 20 5 DFBDMO CCC(=O)N1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611262640 399453390 /nfs/dbraw/zinc/45/33/90/399453390.db2.gz VYOAXGDOJORTDF-YVMONPNESA-N 1 1 317.389 2.552 20 5 DFBDMO CCC(=O)N1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611262640 399453393 /nfs/dbraw/zinc/45/33/93/399453393.db2.gz VYOAXGDOJORTDF-YVMONPNESA-N 1 1 317.389 2.552 20 5 DFBDMO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611275645 399456293 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20 5 DFBDMO CCN1CCCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602548363 399473118 /nfs/dbraw/zinc/47/31/18/399473118.db2.gz XANFLDGHOODQSN-ZDUSSCGKSA-N 1 1 318.377 2.700 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000611515534 399485866 /nfs/dbraw/zinc/48/58/66/399485866.db2.gz CWQVYUOGDKTJFA-AWEZNQCLSA-N 1 1 316.361 2.637 20 5 DFBDMO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422784144 296332280 /nfs/dbraw/zinc/33/22/80/296332280.db2.gz IFBJEWVNOFRRGZ-RHSMWYFYSA-N 1 1 313.401 2.685 20 5 DFBDMO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422784145 296332479 /nfs/dbraw/zinc/33/24/79/296332479.db2.gz IFBJEWVNOFRRGZ-WMLDXEAASA-N 1 1 313.401 2.685 20 5 DFBDMO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602628889 399495785 /nfs/dbraw/zinc/49/57/85/399495785.db2.gz XYUHJKMNMCWNCB-UHFFFAOYSA-N 1 1 313.361 2.832 20 5 DFBDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602628889 399495788 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DFBDMO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1cn(C)nn1 ZINC000347381016 285021469 /nfs/dbraw/zinc/02/14/69/285021469.db2.gz SVTLHAOFEYDJGD-JYRVWZFOSA-N 1 1 315.377 2.649 20 5 DFBDMO CC(=O)N[C@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347373173 285019661 /nfs/dbraw/zinc/01/96/61/285019661.db2.gz WRIXVLHCRLQPSE-WQMJKPAKSA-N 1 1 317.389 2.599 20 5 DFBDMO COCCO[C@@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347386579 285025442 /nfs/dbraw/zinc/02/54/42/285025442.db2.gz YRBDJXDPUGXVNN-OOXMNIKJSA-N 1 1 320.389 2.735 20 5 DFBDMO CC(C)[N@H+](C)C[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602667681 399511340 /nfs/dbraw/zinc/51/13/40/399511340.db2.gz SGBKHCXFQCFUQM-LLVKDONJSA-N 1 1 306.366 2.554 20 5 DFBDMO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000295915681 533025053 /nfs/dbraw/zinc/02/50/53/533025053.db2.gz FZPUJKAUXCKHCK-YOGCLGLASA-N 1 1 321.377 2.649 20 5 DFBDMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687011 399521019 /nfs/dbraw/zinc/52/10/19/399521019.db2.gz UEIHVHMCUXKKLU-JOYOIKCWSA-N 1 1 318.295 2.816 20 5 DFBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000602725959 399541921 /nfs/dbraw/zinc/54/19/21/399541921.db2.gz RYDOKSJZAXZNJT-LRDDRELGSA-N 1 1 306.362 2.534 20 5 DFBDMO CC(=O)NCC[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000347629377 285101648 /nfs/dbraw/zinc/10/16/48/285101648.db2.gz KCJMNZJWJSRGOT-HIFRSBDPSA-N 1 1 319.405 2.894 20 5 DFBDMO Cc1c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641145 197290801 /nfs/dbraw/zinc/29/08/01/197290801.db2.gz ITHCTBLYGZHUCR-WBVHZDCISA-N 1 1 303.406 2.819 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]1(C)CCCO ZINC000272005729 209377143 /nfs/dbraw/zinc/37/71/43/209377143.db2.gz IYLLFSDQEMUQTB-MRXNPFEDSA-N 1 1 308.378 2.730 20 5 DFBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(C)C ZINC000120240107 195125311 /nfs/dbraw/zinc/12/53/11/195125311.db2.gz ZNUOCKCLAMXDTP-ZDUSSCGKSA-N 1 1 307.394 2.924 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286506951 219025829 /nfs/dbraw/zinc/02/58/29/219025829.db2.gz ROAOTEDUWYCKKV-GHMZBOCLSA-N 1 1 311.332 2.542 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000602818879 399587305 /nfs/dbraw/zinc/58/73/05/399587305.db2.gz ZTODQPYCIHJVQV-UHFFFAOYSA-N 1 1 320.780 2.811 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000602818879 399587308 /nfs/dbraw/zinc/58/73/08/399587308.db2.gz ZTODQPYCIHJVQV-UHFFFAOYSA-N 1 1 320.780 2.811 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000266923830 285189116 /nfs/dbraw/zinc/18/91/16/285189116.db2.gz JNVGKHKCRMPXRB-CYBMUJFWSA-N 1 1 320.780 2.934 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000602839092 399596762 /nfs/dbraw/zinc/59/67/62/399596762.db2.gz HERXEDNCYSKTQM-HNNXBMFYSA-N 1 1 316.361 2.920 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000602839092 399596766 /nfs/dbraw/zinc/59/67/66/399596766.db2.gz HERXEDNCYSKTQM-HNNXBMFYSA-N 1 1 316.361 2.920 20 5 DFBDMO C[C@H](C1CC1)[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000042123618 542436336 /nfs/dbraw/zinc/43/63/36/542436336.db2.gz VUJJJZVFKDZXAK-WBMJQRKESA-N 1 1 320.389 2.597 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCC1CCOCC1 ZINC000120643525 195206811 /nfs/dbraw/zinc/20/68/11/195206811.db2.gz YLUWLZPVJCLMDX-UHFFFAOYSA-N 1 1 308.378 2.722 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602890387 399617024 /nfs/dbraw/zinc/61/70/24/399617024.db2.gz XWMRKYJSGBHONJ-UONOGXRCSA-N 1 1 315.377 2.975 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@@H](n3ccnn3)CC2)cccc1[N+](=O)[O-] ZINC000602890167 399617235 /nfs/dbraw/zinc/61/72/35/399617235.db2.gz WZIVWPRMLWVPOO-OAHLLOKOSA-N 1 1 315.377 2.722 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602890450 399617674 /nfs/dbraw/zinc/61/76/74/399617674.db2.gz ZUNRTDQWEKYTMI-GFCCVEGCSA-N 1 1 319.340 2.553 20 5 DFBDMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271577423 209027121 /nfs/dbraw/zinc/02/71/21/209027121.db2.gz RNRFAFNLIMMTBY-GZBFAFLISA-N 1 1 308.378 2.597 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[C@H]1O ZINC000289608356 221099356 /nfs/dbraw/zinc/09/93/56/221099356.db2.gz LBLKIKOKMJLWOX-VXGBXAGGSA-N 1 1 316.304 2.541 20 5 DFBDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c(OC)n1 ZINC000289636958 221119109 /nfs/dbraw/zinc/11/91/09/221119109.db2.gz PSKWWLREEBLWCC-UHFFFAOYSA-N 1 1 317.345 2.605 20 5 DFBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289699252 221162954 /nfs/dbraw/zinc/16/29/54/221162954.db2.gz HIISBRIFCONEBP-LLVKDONJSA-N 1 1 300.305 2.951 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289711674 221171891 /nfs/dbraw/zinc/17/18/91/221171891.db2.gz FDLBDQWPKULFMW-CYBMUJFWSA-N 1 1 309.410 2.813 20 5 DFBDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289711674 221171893 /nfs/dbraw/zinc/17/18/93/221171893.db2.gz FDLBDQWPKULFMW-CYBMUJFWSA-N 1 1 309.410 2.813 20 5 DFBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289736006 221189500 /nfs/dbraw/zinc/18/95/00/221189500.db2.gz JHQNUMPHKBQZMA-JKSUJKDBSA-N 1 1 322.405 2.908 20 5 DFBDMO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000289809226 221241702 /nfs/dbraw/zinc/24/17/02/221241702.db2.gz OKVLURUMYSTVTO-GFCCVEGCSA-N 1 1 300.362 2.907 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CCF)CC1 ZINC000602948853 399636295 /nfs/dbraw/zinc/63/62/95/399636295.db2.gz VWYFIRXERXNFGE-GFCCVEGCSA-N 1 1 323.368 2.993 20 5 DFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CCF)CC1 ZINC000602948855 399636741 /nfs/dbraw/zinc/63/67/41/399636741.db2.gz VWYFIRXERXNFGE-LBPRGKRZSA-N 1 1 323.368 2.993 20 5 DFBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000289978009 221356775 /nfs/dbraw/zinc/35/67/75/221356775.db2.gz RNGOQNDPEADALT-HNNXBMFYSA-N 1 1 300.362 2.855 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000290030162 221390872 /nfs/dbraw/zinc/39/08/72/221390872.db2.gz VTXORLRXOMDDFU-HNNXBMFYSA-N 1 1 320.780 2.934 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000602997265 399654592 /nfs/dbraw/zinc/65/45/92/399654592.db2.gz GROANOISUPWCGJ-LZWOXQAQSA-N 1 1 320.389 2.729 20 5 DFBDMO C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000602967287 399642671 /nfs/dbraw/zinc/64/26/71/399642671.db2.gz FTSAJIJOSKSMOH-MXWKQRLJSA-N 1 1 320.315 2.843 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987485 399651284 /nfs/dbraw/zinc/65/12/84/399651284.db2.gz IFZOOFRQAFUXOJ-JBLDHEPKSA-N 1 1 318.295 2.758 20 5 DFBDMO COc1ccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000295013609 533570375 /nfs/dbraw/zinc/57/03/75/533570375.db2.gz MKFPQIUTABQUSP-HNNXBMFYSA-N 1 1 308.378 2.850 20 5 DFBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000603399782 399766076 /nfs/dbraw/zinc/76/60/76/399766076.db2.gz VRUHPKSHSMEJJO-LSDHHAIUSA-N 1 1 323.368 2.645 20 5 DFBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000603396518 399764502 /nfs/dbraw/zinc/76/45/02/399764502.db2.gz IXDFSLUDAOGMMZ-LSDHHAIUSA-N 1 1 305.378 2.506 20 5 DFBDMO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000603849960 399808647 /nfs/dbraw/zinc/80/86/47/399808647.db2.gz YUDSJHIOOAYCHE-CYBMUJFWSA-N 1 1 312.373 2.849 20 5 DFBDMO Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261606429 542952161 /nfs/dbraw/zinc/95/21/61/542952161.db2.gz AMLKSNKTFCSIRX-KRWDZBQOSA-N 1 1 312.373 2.641 20 5 DFBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000604556265 399855556 /nfs/dbraw/zinc/85/55/56/399855556.db2.gz CANGJEGOVJOECG-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072664953 145188876 /nfs/dbraw/zinc/18/88/76/145188876.db2.gz QYRJMZUKZZTLKH-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DFBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCC[C@H]1O ZINC000245558599 146083230 /nfs/dbraw/zinc/08/32/30/146083230.db2.gz VQRUPAQSLGFEEE-SMDDNHRTSA-N 1 1 319.361 2.719 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000443510298 543357702 /nfs/dbraw/zinc/35/77/02/543357702.db2.gz NMZVNCSTKWFTNN-ZDUSSCGKSA-N 1 1 324.450 3.508 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000246062768 146117481 /nfs/dbraw/zinc/11/74/81/146117481.db2.gz YMYHFNNCTHKCHK-FRRDWIJNSA-N 1 1 305.378 2.900 20 5 DFBDMO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000246644555 146147556 /nfs/dbraw/zinc/14/75/56/146147556.db2.gz UUSHKYCAIVAALK-VXGBXAGGSA-N 1 1 323.368 2.584 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000249834660 146207454 /nfs/dbraw/zinc/20/74/54/146207454.db2.gz VYUWYGDDBHMAHS-CVEARBPZSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000249834660 146207456 /nfs/dbraw/zinc/20/74/56/146207456.db2.gz VYUWYGDDBHMAHS-CVEARBPZSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252700142 146221997 /nfs/dbraw/zinc/22/19/97/146221997.db2.gz YFXCLFNPEZOGFE-NWDGAFQWSA-N 1 1 311.769 2.523 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000255436756 146232303 /nfs/dbraw/zinc/23/23/03/146232303.db2.gz NZECJVNEEHBFSK-WRLNGNIRSA-N 1 1 301.390 2.778 20 5 DFBDMO NC(=O)CC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255361153 146232334 /nfs/dbraw/zinc/23/23/34/146232334.db2.gz UWVMNLWVGFLMHK-ZBKLQPJUSA-N 1 1 317.389 2.586 20 5 DFBDMO [NH3+]C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261854773 146290342 /nfs/dbraw/zinc/29/03/42/146290342.db2.gz VTEJJPZMEHPHAL-SJORKVTESA-N 1 1 311.385 2.769 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000262095582 146332962 /nfs/dbraw/zinc/33/29/62/146332962.db2.gz VEFAPSVQICDDRO-UHFFFAOYSA-N 1 1 309.797 2.824 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354413752 147028060 /nfs/dbraw/zinc/02/80/60/147028060.db2.gz YFTXMSTZHHCUNW-JSGCOSHPSA-N 1 1 305.378 2.540 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354422590 147030777 /nfs/dbraw/zinc/03/07/77/147030777.db2.gz GSQWGISGUKZTCJ-JSGCOSHPSA-N 1 1 319.405 2.848 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)[C@H]1CCCSC1 ZINC000355498515 147338019 /nfs/dbraw/zinc/33/80/19/147338019.db2.gz NSXHXYYMEXANQT-VFQAQYNWSA-N 1 1 322.430 2.798 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000355596384 147378615 /nfs/dbraw/zinc/37/86/15/147378615.db2.gz CRHKKIYXWHZPPC-STQMWFEESA-N 1 1 320.393 2.816 20 5 DFBDMO CCc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593188767 543463895 /nfs/dbraw/zinc/46/38/95/543463895.db2.gz PJSAIFHEBZGQHY-UPJWGTAASA-N 1 1 319.405 2.710 20 5 DFBDMO CCCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000357548113 148032643 /nfs/dbraw/zinc/03/26/43/148032643.db2.gz ADJMBOSRLHPEET-UHFFFAOYSA-N 1 1 305.378 2.822 20 5 DFBDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357563293 148038567 /nfs/dbraw/zinc/03/85/67/148038567.db2.gz HFQMENDKMLHLCX-NSHDSACASA-N 1 1 303.366 2.679 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357668513 148078096 /nfs/dbraw/zinc/07/80/96/148078096.db2.gz VYXDZOYYMMSAFJ-NWDGAFQWSA-N 1 1 306.366 2.507 20 5 DFBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CCC1 ZINC000361479893 149126692 /nfs/dbraw/zinc/12/66/92/149126692.db2.gz AOTDLSNTGQBZEX-UHFFFAOYSA-N 1 1 317.389 2.606 20 5 DFBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC1CCC1 ZINC000361481242 149126948 /nfs/dbraw/zinc/12/69/48/149126948.db2.gz KPSLVIGTSCYEBA-UHFFFAOYSA-N 1 1 305.378 2.964 20 5 DFBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000361530074 149140377 /nfs/dbraw/zinc/14/03/77/149140377.db2.gz YHYKOCYQJLLVTC-UHFFFAOYSA-N 1 1 307.394 2.926 20 5 DFBDMO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000361587982 149159540 /nfs/dbraw/zinc/15/95/40/149159540.db2.gz CYCHGRSPKKNFBE-HNNXBMFYSA-N 1 1 317.345 2.861 20 5 DFBDMO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000361587982 149159542 /nfs/dbraw/zinc/15/95/42/149159542.db2.gz CYCHGRSPKKNFBE-HNNXBMFYSA-N 1 1 317.345 2.861 20 5 DFBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000361854702 149238039 /nfs/dbraw/zinc/23/80/39/149238039.db2.gz AZFCWXWINRUOTB-CYBMUJFWSA-N 1 1 320.393 2.675 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361856257 149238204 /nfs/dbraw/zinc/23/82/04/149238204.db2.gz WPHMXVWKUWDNEX-CHWSQXEVSA-N 1 1 320.393 2.816 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000361857227 149238374 /nfs/dbraw/zinc/23/83/74/149238374.db2.gz ZGHKYZWOKTVDFJ-QWHCGFSZSA-N 1 1 320.393 2.816 20 5 DFBDMO Cc1ccc(C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000362618143 149324785 /nfs/dbraw/zinc/32/47/85/149324785.db2.gz WLXKXEBUXLBYKY-DZKIICNBSA-N 1 1 317.389 2.522 20 5 DFBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000373766636 150254579 /nfs/dbraw/zinc/25/45/79/150254579.db2.gz AAIDICDEAZTUCE-ZDUSSCGKSA-N 1 1 308.378 2.852 20 5 DFBDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000373792425 150258963 /nfs/dbraw/zinc/25/89/63/150258963.db2.gz OYXVMPHRNMNRCR-INIZCTEOSA-N 1 1 318.352 2.594 20 5 DFBDMO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000373967312 150285635 /nfs/dbraw/zinc/28/56/35/150285635.db2.gz GYTNGLYBEJSIIC-JKIFEVAISA-N 1 1 320.389 2.753 20 5 DFBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000373967312 150285638 /nfs/dbraw/zinc/28/56/38/150285638.db2.gz GYTNGLYBEJSIIC-JKIFEVAISA-N 1 1 320.389 2.753 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000374054203 150299898 /nfs/dbraw/zinc/29/98/98/150299898.db2.gz NGXDXMGRCNVZRT-CYBMUJFWSA-N 1 1 308.378 2.588 20 5 DFBDMO C[C@H]1C[C@H](c2cccs2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000374064867 150301136 /nfs/dbraw/zinc/30/11/36/150301136.db2.gz KTUCZSRYSILOFF-RYUDHWBXSA-N 1 1 306.391 2.731 20 5 DFBDMO C[C@H]1CC[C@H]([N@H+](CCO)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351647803 286181996 /nfs/dbraw/zinc/18/19/96/286181996.db2.gz JRQRKTCNGOPMTR-QWRGUYRKSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351647803 286182001 /nfs/dbraw/zinc/18/20/01/286182001.db2.gz JRQRKTCNGOPMTR-QWRGUYRKSA-N 1 1 314.332 2.856 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374413639 150362236 /nfs/dbraw/zinc/36/22/36/150362236.db2.gz XZKHADBJIZPGKZ-KBPBESRZSA-N 1 1 320.389 2.852 20 5 DFBDMO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)cc1[N+](=O)[O-] ZINC000374468580 150371621 /nfs/dbraw/zinc/37/16/21/150371621.db2.gz JJBLADVRZYAWIF-FZMZJTMJSA-N 1 1 300.362 2.834 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000351751883 286210045 /nfs/dbraw/zinc/21/00/45/286210045.db2.gz DTDKOWHHELZAOW-GHMZBOCLSA-N 1 1 312.316 2.731 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000351751883 286210047 /nfs/dbraw/zinc/21/00/47/286210047.db2.gz DTDKOWHHELZAOW-GHMZBOCLSA-N 1 1 312.316 2.731 20 5 DFBDMO COc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000277046803 286229422 /nfs/dbraw/zinc/22/94/22/286229422.db2.gz PUZZNRIPNXADBE-AAEUAGOBSA-N 1 1 323.368 2.663 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000351937095 286249810 /nfs/dbraw/zinc/24/98/10/286249810.db2.gz RYGXIIHXWZSVDG-KGLIPLIRSA-N 1 1 321.421 2.906 20 5 DFBDMO Cc1c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000247282831 158127545 /nfs/dbraw/zinc/12/75/45/158127545.db2.gz SYCLCVSUYHAYJI-HUUCEWRRSA-N 1 1 308.403 2.610 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247432670 158135069 /nfs/dbraw/zinc/13/50/69/158135069.db2.gz OVKHTNVECVQARS-DZGCQCFKSA-N 1 1 319.405 2.706 20 5 DFBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000248371922 158169667 /nfs/dbraw/zinc/16/96/67/158169667.db2.gz ZHADCANHUDXMSR-MNOVXSKESA-N 1 1 302.334 2.875 20 5 DFBDMO CCCCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000356938188 158327740 /nfs/dbraw/zinc/32/77/40/158327740.db2.gz QPNPHIOCNQJMID-CLFYSBASSA-N 1 1 305.378 2.586 20 5 DFBDMO CCCCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000356938188 158327742 /nfs/dbraw/zinc/32/77/42/158327742.db2.gz QPNPHIOCNQJMID-CLFYSBASSA-N 1 1 305.378 2.586 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000357024418 158350651 /nfs/dbraw/zinc/35/06/51/158350651.db2.gz NDKPPXAHEHSAGL-UONOGXRCSA-N 1 1 321.421 2.906 20 5 DFBDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000357082059 158361847 /nfs/dbraw/zinc/36/18/47/158361847.db2.gz WRVQRPMQOBJTGQ-LSDHHAIUSA-N 1 1 324.425 2.707 20 5 DFBDMO C[C@@H](NC[C@]1([NH+](C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269000949 287039862 /nfs/dbraw/zinc/03/98/62/287039862.db2.gz UWQPCEFBJQFBBE-IUODEOHRSA-N 1 1 309.435 2.683 20 5 DFBDMO Cc1sc(C(=O)NCCCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000129847424 196079845 /nfs/dbraw/zinc/07/98/45/196079845.db2.gz RYEUWAONQAHDRV-UHFFFAOYSA-N 1 1 322.390 2.680 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])cc1OC ZINC000130550988 196089246 /nfs/dbraw/zinc/08/92/46/196089246.db2.gz RZUSNNXWUJOHRO-LLVKDONJSA-N 1 1 312.391 2.549 20 5 DFBDMO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271630591 209074880 /nfs/dbraw/zinc/07/48/80/209074880.db2.gz OWUVBHGNCFGMFY-STQMWFEESA-N 1 1 307.394 2.940 20 5 DFBDMO Cc1nccn1CCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000130711701 196103473 /nfs/dbraw/zinc/10/34/73/196103473.db2.gz IZLAGRNGEWNKNO-UHFFFAOYSA-N 1 1 318.377 2.501 20 5 DFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134349113 196380697 /nfs/dbraw/zinc/38/06/97/196380697.db2.gz BYODWSFSCLQBDQ-ZDUSSCGKSA-N 1 1 323.368 2.728 20 5 DFBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC(C)(C)C ZINC000134477921 196395209 /nfs/dbraw/zinc/39/52/09/196395209.db2.gz IOGRRELZYFNRGU-SECBINFHSA-N 1 1 313.785 2.641 20 5 DFBDMO Cc1c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000135570864 196488322 /nfs/dbraw/zinc/48/83/22/196488322.db2.gz SYCLCVSUYHAYJI-LSDHHAIUSA-N 1 1 308.403 2.610 20 5 DFBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000290737382 221881054 /nfs/dbraw/zinc/88/10/54/221881054.db2.gz RFTNGIPHENWKKO-CYBMUJFWSA-N 1 1 322.409 2.514 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000063308963 425900422 /nfs/dbraw/zinc/90/04/22/425900422.db2.gz JKCXATNDWJGBGE-GFCCVEGCSA-N 1 1 321.377 2.664 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000063308963 425900423 /nfs/dbraw/zinc/90/04/23/425900423.db2.gz JKCXATNDWJGBGE-GFCCVEGCSA-N 1 1 321.377 2.664 20 5 DFBDMO CN(C(=O)C[N@@H+](C1CC1)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000064809134 425901985 /nfs/dbraw/zinc/90/19/85/425901985.db2.gz DSUBEMRTHCKYCG-UHFFFAOYSA-N 1 1 317.389 2.965 20 5 DFBDMO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000124536276 425924617 /nfs/dbraw/zinc/92/46/17/425924617.db2.gz YTWOLZMEPBUNTQ-RZEIDYGVSA-N 1 1 317.389 2.549 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCCCCCC1 ZINC000007486838 425645616 /nfs/dbraw/zinc/64/56/16/425645616.db2.gz FLUCVTRIDYIJCP-UHFFFAOYSA-N 1 1 321.377 2.808 20 5 DFBDMO CCCC[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000026161810 425810751 /nfs/dbraw/zinc/81/07/51/425810751.db2.gz NFWFEDDQPFBVJT-UHFFFAOYSA-N 1 1 309.366 2.664 20 5 DFBDMO C[C@H]([NH2+][C@@H](C)c1ccccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194715169 268113531 /nfs/dbraw/zinc/11/35/31/268113531.db2.gz ZLOVEJJNKTUBMJ-RYUDHWBXSA-N 1 1 314.345 2.668 20 5 DFBDMO COc1cccc(NCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000302523983 268324582 /nfs/dbraw/zinc/32/45/82/268324582.db2.gz CNVGVZNFFJSHBH-UHFFFAOYSA-N 1 1 316.361 2.791 20 5 DFBDMO C[N@@H+](CCO)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000305739493 268333975 /nfs/dbraw/zinc/33/39/75/268333975.db2.gz XJLAHXGELOCPTB-UHFFFAOYSA-N 1 1 320.320 2.950 20 5 DFBDMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331723579 268358593 /nfs/dbraw/zinc/35/85/93/268358593.db2.gz LUPYQAITKJJJTG-OCCSQVGLSA-N 1 1 317.389 2.604 20 5 DFBDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000125642640 425983615 /nfs/dbraw/zinc/98/36/15/425983615.db2.gz AAOBKRQKROWALN-CYBMUJFWSA-N 1 1 305.378 2.964 20 5 DFBDMO CN(C)c1[nH+]cc(CNc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000070143177 425967893 /nfs/dbraw/zinc/96/78/93/425967893.db2.gz WWPIFVIXGJYKDI-UHFFFAOYSA-N 1 1 309.757 2.660 20 5 DFBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000105795617 425969736 /nfs/dbraw/zinc/96/97/36/425969736.db2.gz XVUHLDBMLLGCME-CYBMUJFWSA-N 1 1 301.350 2.590 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCn1cccn1 ZINC000111280231 426043918 /nfs/dbraw/zinc/04/39/18/426043918.db2.gz VUSWMWUGSWBRNN-UHFFFAOYSA-N 1 1 318.377 2.711 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCn1cccn1 ZINC000111280231 426043920 /nfs/dbraw/zinc/04/39/20/426043920.db2.gz VUSWMWUGSWBRNN-UHFFFAOYSA-N 1 1 318.377 2.711 20 5 DFBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](CO)C3)o2)c1 ZINC000127230734 426057141 /nfs/dbraw/zinc/05/71/41/426057141.db2.gz QAZCCMQPDMHENY-GFCCVEGCSA-N 1 1 302.330 2.669 20 5 DFBDMO C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000127308080 426060377 /nfs/dbraw/zinc/06/03/77/426060377.db2.gz LOIOEGOXVYSCFD-CHWSQXEVSA-N 1 1 305.378 2.901 20 5 DFBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000076331265 426107161 /nfs/dbraw/zinc/10/71/61/426107161.db2.gz VJLPIPGBBVNYRM-UHFFFAOYSA-N 1 1 324.768 2.560 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000076481697 426113283 /nfs/dbraw/zinc/11/32/83/426113283.db2.gz JPZYEHMXUFGRMM-UKRRQHHQSA-N 1 1 319.405 2.706 20 5 DFBDMO CC[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164758839 426118005 /nfs/dbraw/zinc/11/80/05/426118005.db2.gz FHQLOSCOZHDZNL-UONOGXRCSA-N 1 1 301.350 2.762 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128525254 426121429 /nfs/dbraw/zinc/12/14/29/426121429.db2.gz KVPPFBMDILMLDL-PBHICJAKSA-N 1 1 320.389 2.730 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075503409 426074882 /nfs/dbraw/zinc/07/48/82/426074882.db2.gz GSVCYITYFQYPIK-CQSZACIVSA-N 1 1 320.393 2.933 20 5 DFBDMO CC[N@@H+](CCCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000162914476 426082878 /nfs/dbraw/zinc/08/28/78/426082878.db2.gz UWPDVEABNINOPT-UHFFFAOYSA-N 1 1 317.183 2.562 20 5 DFBDMO CSc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000171109611 426169741 /nfs/dbraw/zinc/16/97/41/426169741.db2.gz LOZQZQASTNAYCF-SNVBAGLBSA-N 1 1 323.418 2.529 20 5 DFBDMO CC[N@@H+](CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CC1 ZINC000171141722 426171999 /nfs/dbraw/zinc/17/19/99/426171999.db2.gz YZYULBQSRHPYTN-UHFFFAOYSA-N 1 1 323.418 2.531 20 5 DFBDMO C[C@H](O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512867 426173146 /nfs/dbraw/zinc/17/31/46/426173146.db2.gz XECWPCVLEINAJY-AWEZNQCLSA-N 1 1 322.405 2.989 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095792 426220768 /nfs/dbraw/zinc/22/07/68/426220768.db2.gz MCFIHFFWUABDSY-CJNGLKHVSA-N 1 1 321.421 2.766 20 5 DFBDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000118414660 426235445 /nfs/dbraw/zinc/23/54/45/426235445.db2.gz CZYQGXWSFYFOMJ-MNOVXSKESA-N 1 1 324.402 2.787 20 5 DFBDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000118414660 426235448 /nfs/dbraw/zinc/23/54/48/426235448.db2.gz CZYQGXWSFYFOMJ-MNOVXSKESA-N 1 1 324.402 2.787 20 5 DFBDMO C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173819804 426248322 /nfs/dbraw/zinc/24/83/22/426248322.db2.gz WNZXYEZBWVZWTF-LBPRGKRZSA-N 1 1 305.378 2.504 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087116613 426265888 /nfs/dbraw/zinc/26/58/88/426265888.db2.gz YKOBIKVCKXMLJT-AWEZNQCLSA-N 1 1 319.405 2.518 20 5 DFBDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174869243 426266893 /nfs/dbraw/zinc/26/68/93/426266893.db2.gz FSWYSGVJTAQAGN-GXTWGEPZSA-N 1 1 318.352 2.808 20 5 DFBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000150940989 426268408 /nfs/dbraw/zinc/26/84/08/426268408.db2.gz IPKALOOEPVHOFW-ZDUSSCGKSA-N 1 1 320.393 2.694 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000175258759 426292696 /nfs/dbraw/zinc/29/26/96/426292696.db2.gz NGURTVPDHFNKMK-CQSZACIVSA-N 1 1 321.421 2.767 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CO)o2)cc1 ZINC000119385364 426284715 /nfs/dbraw/zinc/28/47/15/426284715.db2.gz MSPGIAKCTNBBEO-CQSZACIVSA-N 1 1 302.330 2.812 20 5 DFBDMO Cn1cc(C[N@@H+](C)CC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000122883507 426402081 /nfs/dbraw/zinc/40/20/81/426402081.db2.gz SDNOTGGAWLETHJ-UHFFFAOYSA-N 1 1 300.362 2.837 20 5 DFBDMO CC[N@@H+](CC(C)C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000153760793 426403883 /nfs/dbraw/zinc/40/38/83/426403883.db2.gz CQOYLDIXXYDVDV-GFCCVEGCSA-N 1 1 323.393 2.908 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1ccccn1 ZINC000176128769 426355016 /nfs/dbraw/zinc/35/50/16/426355016.db2.gz BPETTWBDLNQRQO-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000176216364 426361152 /nfs/dbraw/zinc/36/11/52/426361152.db2.gz LCLYBWGDNYMEJZ-ZDUSSCGKSA-N 1 1 318.377 2.524 20 5 DFBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1Cl ZINC000176236071 426362935 /nfs/dbraw/zinc/36/29/35/426362935.db2.gz GMZFNXPBWHDZGV-UHFFFAOYSA-N 1 1 312.732 2.716 20 5 DFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1Cl ZINC000176236071 426362936 /nfs/dbraw/zinc/36/29/36/426362936.db2.gz GMZFNXPBWHDZGV-UHFFFAOYSA-N 1 1 312.732 2.716 20 5 DFBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C2 ZINC000122739788 426391222 /nfs/dbraw/zinc/39/12/22/426391222.db2.gz JOEMAICDOPIIGG-SECBINFHSA-N 1 1 307.741 2.575 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000153975210 426415815 /nfs/dbraw/zinc/41/58/15/426415815.db2.gz FYUREFYIRCAXPO-CQSZACIVSA-N 1 1 321.377 2.614 20 5 DFBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000153975210 426415817 /nfs/dbraw/zinc/41/58/17/426415817.db2.gz FYUREFYIRCAXPO-CQSZACIVSA-N 1 1 321.377 2.614 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123299027 426424967 /nfs/dbraw/zinc/42/49/67/426424967.db2.gz DIDZDWUJYSNJDN-OCCSQVGLSA-N 1 1 307.394 2.518 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000176963539 426428628 /nfs/dbraw/zinc/42/86/28/426428628.db2.gz QDEWSUZXESLAGF-SCOAYWHSSA-N 1 1 317.389 2.551 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000123349858 426429074 /nfs/dbraw/zinc/42/90/74/426429074.db2.gz BEPIJYQIZMEMLF-TXEJJXNPSA-N 1 1 321.377 2.805 20 5 DFBDMO Cc1nn(C)cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154276168 426433178 /nfs/dbraw/zinc/43/31/78/426433178.db2.gz YTKZESONBKGJLA-UHFFFAOYSA-N 1 1 300.362 2.801 20 5 DFBDMO Cc1nn(C)cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154276168 426433182 /nfs/dbraw/zinc/43/31/82/426433182.db2.gz YTKZESONBKGJLA-UHFFFAOYSA-N 1 1 300.362 2.801 20 5 DFBDMO CC[C@@]1(C)COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340869174 269024846 /nfs/dbraw/zinc/02/48/46/269024846.db2.gz KXNZMRGLFCXZNH-INIZCTEOSA-N 1 1 308.378 2.865 20 5 DFBDMO CC[C@]1(C)COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340869175 269024943 /nfs/dbraw/zinc/02/49/43/269024943.db2.gz KXNZMRGLFCXZNH-MRXNPFEDSA-N 1 1 308.378 2.865 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000340880057 269026118 /nfs/dbraw/zinc/02/61/18/269026118.db2.gz LCTCBSCCGKRVOV-ZFWWWQNUSA-N 1 1 307.369 2.793 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnn(C(C)C)c1 ZINC000341271203 269055978 /nfs/dbraw/zinc/05/59/78/269055978.db2.gz KSHPAVYWQGOSSD-UHFFFAOYSA-N 1 1 304.350 2.671 20 5 DFBDMO C[C@H]([N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(C)CC1 ZINC000177242494 426459462 /nfs/dbraw/zinc/45/94/62/426459462.db2.gz METKULGFNWRHPU-LBPRGKRZSA-N 1 1 317.389 2.604 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000177250315 426460596 /nfs/dbraw/zinc/46/05/96/426460596.db2.gz LOEOOYCSPKHXCK-LLVKDONJSA-N 1 1 321.377 2.662 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(F)cccc1[N+](=O)[O-] ZINC000177344584 426470020 /nfs/dbraw/zinc/47/00/20/426470020.db2.gz RAKOMLYLXTVPRZ-OLZOCXBDSA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1sc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155410141 426470842 /nfs/dbraw/zinc/47/08/42/426470842.db2.gz CYLSPINEKLKUSF-VXGBXAGGSA-N 1 1 323.418 2.521 20 5 DFBDMO Cc1sc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155410481 426471113 /nfs/dbraw/zinc/47/11/13/426471113.db2.gz CYLSPINEKLKUSF-RYUDHWBXSA-N 1 1 323.418 2.521 20 5 DFBDMO CCc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155430447 426471332 /nfs/dbraw/zinc/47/13/32/426471332.db2.gz HSEGGJICVOSJAC-WFASDCNBSA-N 1 1 319.405 2.616 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177417628 426477347 /nfs/dbraw/zinc/47/73/47/426477347.db2.gz NIODNOPTEPHMNQ-AWEZNQCLSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000177417628 426477350 /nfs/dbraw/zinc/47/73/50/426477350.db2.gz NIODNOPTEPHMNQ-AWEZNQCLSA-N 1 1 312.753 2.633 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264163167 426509278 /nfs/dbraw/zinc/50/92/78/426509278.db2.gz IRDVMRCLTUDCBE-LLVKDONJSA-N 1 1 318.377 2.536 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000177993892 426552079 /nfs/dbraw/zinc/55/20/79/426552079.db2.gz BWFNIHBCTQLFRY-CJNGLKHVSA-N 1 1 308.353 2.861 20 5 DFBDMO Cc1ccc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000280456097 426579251 /nfs/dbraw/zinc/57/92/51/426579251.db2.gz LRPZUURCNFBWQD-AWEZNQCLSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1ccc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000280456097 426579256 /nfs/dbraw/zinc/57/92/56/426579256.db2.gz LRPZUURCNFBWQD-AWEZNQCLSA-N 1 1 320.389 2.673 20 5 DFBDMO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273112710 426595616 /nfs/dbraw/zinc/59/56/16/426595616.db2.gz GNNRJFGUIVGIKP-MCIONIFRSA-N 1 1 308.378 2.597 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000280601618 426611120 /nfs/dbraw/zinc/61/11/20/426611120.db2.gz YGZGPIJFOALAPR-GRDNDAEWSA-N 1 1 320.389 2.672 20 5 DFBDMO CCC(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000280729296 426644424 /nfs/dbraw/zinc/64/44/24/426644424.db2.gz NEEBWZKRPQCUNW-UHFFFAOYSA-N 1 1 317.389 2.720 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000178564209 426654662 /nfs/dbraw/zinc/65/46/62/426654662.db2.gz GZCUVTOBVLPYBK-WCQYABFASA-N 1 1 318.295 2.903 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000178564209 426654669 /nfs/dbraw/zinc/65/46/69/426654669.db2.gz GZCUVTOBVLPYBK-WCQYABFASA-N 1 1 318.295 2.903 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273468254 426669216 /nfs/dbraw/zinc/66/92/16/426669216.db2.gz NZBBXHUZJRHBPS-UHFFFAOYSA-N 1 1 312.345 2.587 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227694539 426628063 /nfs/dbraw/zinc/62/80/63/426628063.db2.gz LKFVOBLZFLHFEG-FRRDWIJNSA-N 1 1 305.378 2.900 20 5 DFBDMO COc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1O ZINC000289329791 426629609 /nfs/dbraw/zinc/62/96/09/426629609.db2.gz GOWNEOLMZPULIV-UHFFFAOYSA-N 1 1 316.357 2.984 20 5 DFBDMO CC(C)c1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000188077224 426720519 /nfs/dbraw/zinc/72/05/19/426720519.db2.gz QOWCCTXSTPMSBC-STQMWFEESA-N 1 1 319.405 2.883 20 5 DFBDMO C[C@H]([NH2+]Cc1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000266831859 426786016 /nfs/dbraw/zinc/78/60/16/426786016.db2.gz DVHSVAGEIDDLFD-LBPRGKRZSA-N 1 1 300.362 2.978 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281625160 426732874 /nfs/dbraw/zinc/73/28/74/426732874.db2.gz HTKDJJYSWYDUJF-JSGCOSHPSA-N 1 1 308.378 2.993 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000245441336 426739360 /nfs/dbraw/zinc/73/93/60/426739360.db2.gz VHNSCIZZVOVJPT-CABCVRRESA-N 1 1 319.405 2.532 20 5 DFBDMO COc1cc(C[NH+]2CCC(C)(OC)CC2)c([N+](=O)[O-])cc1F ZINC000274302416 426739534 /nfs/dbraw/zinc/73/95/34/426739534.db2.gz JXLHSJPOECSRSM-UHFFFAOYSA-N 1 1 312.341 2.743 20 5 DFBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000290380753 426754327 /nfs/dbraw/zinc/75/43/27/426754327.db2.gz BBDITUVSEXMTCK-INIZCTEOSA-N 1 1 300.362 2.855 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000266687703 426761297 /nfs/dbraw/zinc/76/12/97/426761297.db2.gz CPWUTHRURUEVJE-KGLIPLIRSA-N 1 1 304.394 2.750 20 5 DFBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266987967 426808689 /nfs/dbraw/zinc/80/86/89/426808689.db2.gz TZUMYUWNSBVDIR-UHFFFAOYSA-N 1 1 316.361 2.848 20 5 DFBDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H](O)C(F)(F)F ZINC000189470657 426863677 /nfs/dbraw/zinc/86/36/77/426863677.db2.gz XTVZINWEIXZRHO-GFCCVEGCSA-N 1 1 306.284 2.648 20 5 DFBDMO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H](O)C(F)(F)F ZINC000189470657 426863683 /nfs/dbraw/zinc/86/36/83/426863683.db2.gz XTVZINWEIXZRHO-GFCCVEGCSA-N 1 1 306.284 2.648 20 5 DFBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246932396 426879973 /nfs/dbraw/zinc/87/99/73/426879973.db2.gz XBLAWABBXXSSKU-UONOGXRCSA-N 1 1 322.409 2.539 20 5 DFBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000282348777 426888899 /nfs/dbraw/zinc/88/88/99/426888899.db2.gz CLMKPXJFBQPQRC-UHFFFAOYSA-N 1 1 323.393 2.594 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1F ZINC000282358877 426892115 /nfs/dbraw/zinc/89/21/15/426892115.db2.gz DAOUHWPLLLONFH-KRWDZBQOSA-N 1 1 318.348 2.942 20 5 DFBDMO CCC1(CC)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000268050106 426899987 /nfs/dbraw/zinc/89/99/87/426899987.db2.gz UUWUFVZEQSXVJQ-UHFFFAOYSA-N 1 1 305.378 2.706 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291800869 426993812 /nfs/dbraw/zinc/99/38/12/426993812.db2.gz NCTRNIPARBWZDJ-QWRGUYRKSA-N 1 1 300.305 2.605 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291800869 426993817 /nfs/dbraw/zinc/99/38/17/426993817.db2.gz NCTRNIPARBWZDJ-QWRGUYRKSA-N 1 1 300.305 2.605 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000248399971 426994539 /nfs/dbraw/zinc/99/45/39/426994539.db2.gz PKUNAISVHJJHKJ-WBVHZDCISA-N 1 1 303.406 2.962 20 5 DFBDMO CC[C@@H]([NH2+]Cc1ccc(OC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000283205517 426974262 /nfs/dbraw/zinc/97/42/62/426974262.db2.gz RPKPFYUTUNTYHT-CQSZACIVSA-N 1 1 302.334 2.634 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247331651 426927670 /nfs/dbraw/zinc/92/76/70/426927670.db2.gz ISPDZGGQDJAQTD-BBRMVZONSA-N 1 1 319.405 2.706 20 5 DFBDMO CC(=O)c1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268158126 426929630 /nfs/dbraw/zinc/92/96/30/426929630.db2.gz OACANTCUCLXCIC-ZUZCIYMTSA-N 1 1 303.362 2.692 20 5 DFBDMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 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DBMBOTANVJMKTG-GFCCVEGCSA-N 1 1 320.324 2.805 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1F ZINC000276288150 427028330 /nfs/dbraw/zinc/02/83/30/427028330.db2.gz HGYJQVSCCMZFRP-UHFFFAOYSA-N 1 1 304.325 2.768 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](n3cccn3)C2)ccc1[N+](=O)[O-] ZINC000291929830 427031014 /nfs/dbraw/zinc/03/10/14/427031014.db2.gz SVWFOOOBUKEZEI-AWEZNQCLSA-N 1 1 316.361 2.637 20 5 DFBDMO CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268518410 427042265 /nfs/dbraw/zinc/04/22/65/427042265.db2.gz ZIYGZOSPDCWUIU-MRXNPFEDSA-N 1 1 312.373 2.701 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccccn1 ZINC000182315063 427053465 /nfs/dbraw/zinc/05/34/65/427053465.db2.gz PKJQVVUXUBHPLQ-GFCCVEGCSA-N 1 1 314.345 2.588 20 5 DFBDMO C[C@H](CO)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276431517 427064816 /nfs/dbraw/zinc/06/48/16/427064816.db2.gz JWWSHWNTIYERKP-CYBMUJFWSA-N 1 1 308.378 2.599 20 5 DFBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCc3ccccc3C2)s1 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318.402 2.682 20 5 DFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283886440 427092935 /nfs/dbraw/zinc/09/29/35/427092935.db2.gz AVBGFJIDHICXOX-OAHLLOKOSA-N 1 1 323.349 2.630 20 5 DFBDMO CCOC[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000283911849 427099706 /nfs/dbraw/zinc/09/97/06/427099706.db2.gz GRXJUCIAYZBMIZ-JTQLQIEISA-N 1 1 300.305 2.731 20 5 DFBDMO CCOC[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000283911849 427099715 /nfs/dbraw/zinc/09/97/15/427099715.db2.gz GRXJUCIAYZBMIZ-JTQLQIEISA-N 1 1 300.305 2.731 20 5 DFBDMO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000249262117 427102231 /nfs/dbraw/zinc/10/22/31/427102231.db2.gz HGGAQXGWAYVOHT-SWLSCSKDSA-N 1 1 316.405 2.630 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)c(F)c1 ZINC000268723990 427102410 /nfs/dbraw/zinc/10/24/10/427102410.db2.gz WJAQTYCMWYRTDA-CQSZACIVSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccccn3)C2)c(F)c1 ZINC000268723990 427102416 /nfs/dbraw/zinc/10/24/16/427102416.db2.gz WJAQTYCMWYRTDA-CQSZACIVSA-N 1 1 317.320 2.782 20 5 DFBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000249531794 427124986 /nfs/dbraw/zinc/12/49/86/427124986.db2.gz ZMASXSPBCPEROE-QWHCGFSZSA-N 1 1 320.393 2.837 20 5 DFBDMO COCC(C)(C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000292193769 427127558 /nfs/dbraw/zinc/12/75/58/427127558.db2.gz RQBLOZJPIKZGDH-UHFFFAOYSA-N 1 1 323.393 2.589 20 5 DFBDMO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000292227544 427136656 /nfs/dbraw/zinc/13/66/56/427136656.db2.gz CBSWGRIDSGPFGO-LLVKDONJSA-N 1 1 323.418 2.603 20 5 DFBDMO COCC[N@H+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000182751404 427139176 /nfs/dbraw/zinc/13/91/76/427139176.db2.gz NQGSZTYMFSSKQH-HUUCEWRRSA-N 1 1 321.421 2.617 20 5 DFBDMO CS[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000296311700 427145717 /nfs/dbraw/zinc/14/57/17/427145717.db2.gz OFBWUVDXUYSMHP-CYBMUJFWSA-N 1 1 323.418 2.669 20 5 DFBDMO Cc1c(NC(=O)Cn2cc[nH+]c2C(C)C)cccc1[N+](=O)[O-] ZINC000182832375 427154306 /nfs/dbraw/zinc/15/43/06/427154306.db2.gz GEVUKTJLHPKKFF-UHFFFAOYSA-N 1 1 302.334 2.862 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000175042115 271145335 /nfs/dbraw/zinc/14/53/35/271145335.db2.gz OKLQPZXGGKRBDN-GOEBONIOSA-N 1 1 319.405 2.662 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000270494250 271299380 /nfs/dbraw/zinc/29/93/80/271299380.db2.gz DNUWXBALSUOVBI-NSHDSACASA-N 1 1 311.357 2.521 20 5 DFBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000285397094 427220169 /nfs/dbraw/zinc/22/01/69/427220169.db2.gz SZAHNCMAOLTOQZ-UHFFFAOYSA-N 1 1 323.393 2.594 20 5 DFBDMO COCCOC[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255626684 427284735 /nfs/dbraw/zinc/28/47/35/427284735.db2.gz BWDQDOZLTKKTLJ-VOKGJARPSA-N 1 1 320.389 2.593 20 5 DFBDMO Cc1c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000285471895 427241927 /nfs/dbraw/zinc/24/19/27/427241927.db2.gz KNSUJMTWCUPFDB-XYPWUTKMSA-N 1 1 303.406 2.960 20 5 DFBDMO CC[N@@H+]1CC[C@H](N(C)Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330454909 427242134 /nfs/dbraw/zinc/24/21/34/427242134.db2.gz NNOOBXZBCUAEKO-JSGCOSHPSA-N 1 1 307.394 2.605 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330454909 427242141 /nfs/dbraw/zinc/24/21/41/427242141.db2.gz NNOOBXZBCUAEKO-JSGCOSHPSA-N 1 1 307.394 2.605 20 5 DFBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000285472728 427243953 /nfs/dbraw/zinc/24/39/53/427243953.db2.gz QIDQPDLMXFLOFT-LBPRGKRZSA-N 1 1 323.368 2.599 20 5 DFBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285481950 427247479 /nfs/dbraw/zinc/24/74/79/427247479.db2.gz BTSIUBITAKJIPO-YIONKMFJSA-N 1 1 318.377 2.684 20 5 DFBDMO Cn1cc(Cl)cc1C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667484 427247851 /nfs/dbraw/zinc/24/78/51/427247851.db2.gz SVBSSTQUJOMCHS-HNNXBMFYSA-N 1 1 323.780 2.752 20 5 DFBDMO C[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000255312556 427255486 /nfs/dbraw/zinc/25/54/86/427255486.db2.gz QWOVLWLLEPVBGF-MUGHPLOMSA-N 1 1 317.389 2.549 20 5 DFBDMO CCOCCO[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000269722141 427260696 /nfs/dbraw/zinc/26/06/96/427260696.db2.gz VKXCLUYWOMUXOM-KBPBESRZSA-N 1 1 308.378 2.783 20 5 DFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000269758880 427271940 /nfs/dbraw/zinc/27/19/40/427271940.db2.gz ILWWKSQDAFYYDD-KGLIPLIRSA-N 1 1 315.377 2.660 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330671057 427287212 /nfs/dbraw/zinc/28/72/12/427287212.db2.gz MJYOJMIOWKQFMH-GXTWGEPZSA-N 1 1 307.394 2.566 20 5 DFBDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000285665636 427304034 /nfs/dbraw/zinc/30/40/34/427304034.db2.gz PZVUCMZWJMZGHL-OAHLLOKOSA-N 1 1 321.377 2.695 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C(F)F)CC1 ZINC000331139135 427352650 /nfs/dbraw/zinc/35/26/50/427352650.db2.gz JPGPUQOOOSSPPG-JTQLQIEISA-N 1 1 300.305 2.748 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H]2C(C)(C)O)ccc1[N+](=O)[O-] ZINC000331132882 427352948 /nfs/dbraw/zinc/35/29/48/427352948.db2.gz BKIYFTLOJIONPX-HNNXBMFYSA-N 1 1 308.378 2.729 20 5 DFBDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000338440994 427322768 /nfs/dbraw/zinc/32/27/68/427322768.db2.gz VVKJJALDJMFPJO-UHFFFAOYSA-N 1 1 321.421 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000191365366 427330214 /nfs/dbraw/zinc/33/02/14/427330214.db2.gz FXTYSYCTCSETHV-UHFFFAOYSA-N 1 1 318.377 2.524 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000293357045 427297302 /nfs/dbraw/zinc/29/73/02/427297302.db2.gz ZPIZMFPOKLXLAF-LBPRGKRZSA-N 1 1 318.295 2.960 20 5 DFBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000293357045 427297308 /nfs/dbraw/zinc/29/73/08/427297308.db2.gz ZPIZMFPOKLXLAF-LBPRGKRZSA-N 1 1 318.295 2.960 20 5 DFBDMO C[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628345 427388965 /nfs/dbraw/zinc/38/89/65/427388965.db2.gz HJGVYOGFVONQJO-QWHCGFSZSA-N 1 1 306.410 2.560 20 5 DFBDMO C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628345 427388969 /nfs/dbraw/zinc/38/89/69/427388969.db2.gz HJGVYOGFVONQJO-QWHCGFSZSA-N 1 1 306.410 2.560 20 5 DFBDMO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000331288413 427391665 /nfs/dbraw/zinc/39/16/65/427391665.db2.gz ZQJUUEJFPKCJHE-ZIAGYGMSSA-N 1 1 319.405 2.892 20 5 DFBDMO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000331288413 427391668 /nfs/dbraw/zinc/39/16/68/427391668.db2.gz ZQJUUEJFPKCJHE-ZIAGYGMSSA-N 1 1 319.405 2.892 20 5 DFBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000191639588 427396832 /nfs/dbraw/zinc/39/68/32/427396832.db2.gz SQYWKXBEBYZAEJ-QGZVFWFLSA-N 1 1 322.405 2.847 20 5 DFBDMO COc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000271097696 427404216 /nfs/dbraw/zinc/40/42/16/427404216.db2.gz NNDMKVFHHSKZDC-AAEUAGOBSA-N 1 1 323.368 2.663 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297445001 427404737 /nfs/dbraw/zinc/40/47/37/427404737.db2.gz IYYOQSHWHDZSSC-WCQYABFASA-N 1 1 315.377 2.534 20 5 DFBDMO CC(C)(CO)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccnc1 ZINC000293535603 427355929 /nfs/dbraw/zinc/35/59/29/427355929.db2.gz CFJTVDBSXQFYHX-AWEZNQCLSA-N 1 1 321.402 2.901 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1(CO)CC1 ZINC000293546303 427358775 /nfs/dbraw/zinc/35/87/75/427358775.db2.gz KSFIBAJRDYVAGD-UHFFFAOYSA-N 1 1 304.268 2.570 20 5 DFBDMO CC(=O)c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000286233162 427460186 /nfs/dbraw/zinc/46/01/86/427460186.db2.gz OGARXBIRVSILQB-XJKSGUPXSA-N 1 1 317.389 2.718 20 5 DFBDMO CC[N@@H+](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000338767264 427476499 /nfs/dbraw/zinc/47/64/99/427476499.db2.gz PUSBYGYEDMEJGW-UHFFFAOYSA-N 1 1 318.377 2.536 20 5 DFBDMO CCOC[C@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184229335 427419944 /nfs/dbraw/zinc/41/99/44/427419944.db2.gz BEDRSTYYNJYWNI-NSHDSACASA-N 1 1 312.341 2.601 20 5 DFBDMO COc1cc(C[N@@H+](C)CCc2ccncc2)c([N+](=O)[O-])cc1F ZINC000184293592 427431072 /nfs/dbraw/zinc/43/10/72/427431072.db2.gz PECZJDGGDVEXLB-UHFFFAOYSA-N 1 1 319.336 2.812 20 5 DFBDMO Nc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000286323708 427492826 /nfs/dbraw/zinc/49/28/26/427492826.db2.gz UXGRWRBPLWWYAF-DOMZBBRYSA-N 1 1 316.405 2.630 20 5 DFBDMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000298044454 427510066 /nfs/dbraw/zinc/51/00/66/427510066.db2.gz DMKQUSQSWJGKHH-NSHDSACASA-N 1 1 315.329 2.627 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338993678 427612061 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2.845 20 5 DFBDMO CCOc1cc(NC[C@H]2CCc3[nH+]ccn3C2)ccc1[N+](=O)[O-] ZINC000344080261 272258223 /nfs/dbraw/zinc/25/82/23/272258223.db2.gz CBHWSAIWINLCSN-GFCCVEGCSA-N 1 1 316.361 2.865 20 5 DFBDMO CC[C@]1(C)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344220418 272291091 /nfs/dbraw/zinc/29/10/91/272291091.db2.gz QOPLNBVJRJCQGD-NVXWUHKLSA-N 1 1 317.389 2.822 20 5 DFBDMO CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000344278499 272303025 /nfs/dbraw/zinc/30/30/25/272303025.db2.gz URWXLOJVBZGOIW-XPKDYRNWSA-N 1 1 319.405 2.892 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](F)C[C@@H]2CO)o1 ZINC000344834851 272376805 /nfs/dbraw/zinc/37/68/05/272376805.db2.gz SPJZDHCWSLAZKQ-VXGBXAGGSA-N 1 1 320.320 2.760 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H](F)C[C@@H]2CO)o1 ZINC000344834851 272376808 /nfs/dbraw/zinc/37/68/08/272376808.db2.gz SPJZDHCWSLAZKQ-VXGBXAGGSA-N 1 1 320.320 2.760 20 5 DFBDMO Nc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000193451786 427691810 /nfs/dbraw/zinc/69/18/10/427691810.db2.gz ZMXSKDNURBNLNG-UHFFFAOYSA-N 1 1 304.394 2.632 20 5 DFBDMO Cc1nc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000295108016 427696726 /nfs/dbraw/zinc/69/67/26/427696726.db2.gz UYNPFFDBJFWVOT-AAEUAGOBSA-N 1 1 319.409 2.758 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC=C(COC)CC1 ZINC000185857537 427718922 /nfs/dbraw/zinc/71/89/22/427718922.db2.gz ASAAYURINPXKLA-UHFFFAOYSA-N 1 1 306.362 2.772 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC=C(COC)CC1 ZINC000185857537 427718928 /nfs/dbraw/zinc/71/89/28/427718928.db2.gz ASAAYURINPXKLA-UHFFFAOYSA-N 1 1 306.362 2.772 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000336874497 427769746 /nfs/dbraw/zinc/76/97/46/427769746.db2.gz ZEAGENMDOSGJAE-OAGGEKHMSA-N 1 1 320.389 2.729 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000336874496 427770013 /nfs/dbraw/zinc/77/00/13/427770013.db2.gz ZEAGENMDOSGJAE-BZUAXINKSA-N 1 1 320.389 2.729 20 5 DFBDMO CC(=O)c1ccc(N[C@@H]2CCc3[nH+]c(C)cn3C2)c([N+](=O)[O-])c1 ZINC000301131915 427777289 /nfs/dbraw/zinc/77/72/89/427777289.db2.gz SIGKPRRQYPOBSB-CYBMUJFWSA-N 1 1 314.345 2.729 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000301165038 427778853 /nfs/dbraw/zinc/77/88/53/427778853.db2.gz BWEMBHKWQUTEMM-UHFFFAOYSA-N 1 1 318.402 2.682 20 5 DFBDMO Cc1cccc(N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000301258161 427784763 /nfs/dbraw/zinc/78/47/63/427784763.db2.gz ARZKWCAQBLICET-UHFFFAOYSA-N 1 1 313.361 2.774 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301271924 427786147 /nfs/dbraw/zinc/78/61/47/427786147.db2.gz QZMHNDAEQYJEGU-GFCCVEGCSA-N 1 1 308.338 2.789 20 5 DFBDMO CCCN(CC[NH+]1CCCCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193488 427726361 /nfs/dbraw/zinc/72/63/61/427726361.db2.gz FQJXWMNODVEJSG-UHFFFAOYSA-N 1 1 321.421 2.998 20 5 DFBDMO CC(=O)c1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000288025482 427730227 /nfs/dbraw/zinc/73/02/27/427730227.db2.gz WRWRGJGYIVMUAD-IAQYHMDHSA-N 1 1 305.378 2.938 20 5 DFBDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000301400943 427793677 /nfs/dbraw/zinc/79/36/77/427793677.db2.gz YQKRWMFRKPTVOX-ZDUSSCGKSA-N 1 1 318.333 2.612 20 5 DFBDMO CC(C)C[N@H+]1CC[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000301603317 427808753 /nfs/dbraw/zinc/80/87/53/427808753.db2.gz KYCZYARNQADSCA-NSHDSACASA-N 1 1 323.422 2.694 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000301775540 427823876 /nfs/dbraw/zinc/82/38/76/427823876.db2.gz NRYSEVJWGHBONB-LLVKDONJSA-N 1 1 323.422 2.836 20 5 DFBDMO COc1cc(NCC[N@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301899339 427834486 /nfs/dbraw/zinc/83/44/86/427834486.db2.gz XVSFQOPESFQKHF-LLVKDONJSA-N 1 1 311.357 2.886 20 5 DFBDMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000302744203 427861685 /nfs/dbraw/zinc/86/16/85/427861685.db2.gz DTFACJWWLIMXQO-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000355777560 427885731 /nfs/dbraw/zinc/88/57/31/427885731.db2.gz CDHAUPBSAANHDX-FRRDWIJNSA-N 1 1 305.378 2.900 20 5 DFBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ncc([N+](=O)[O-])s1 ZINC000339968075 427890819 /nfs/dbraw/zinc/89/08/19/427890819.db2.gz PSWUIXMPIWGFRB-UHFFFAOYSA-N 1 1 315.358 3.158 20 5 DFBDMO CC(C)OCC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000349903763 427893999 /nfs/dbraw/zinc/89/39/99/427893999.db2.gz AXWWYUVQWRSSTA-KRWDZBQOSA-N 1 1 322.405 2.735 20 5 DFBDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000355794400 427896517 /nfs/dbraw/zinc/89/65/17/427896517.db2.gz YZNWICZLNVREFB-UTUOFQBUSA-N 1 1 305.378 2.560 20 5 DFBDMO CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000340673928 427922437 /nfs/dbraw/zinc/92/24/37/427922437.db2.gz DNJKRBCTKLJMEX-GFCCVEGCSA-N 1 1 321.377 2.806 20 5 DFBDMO CC(C)C[N@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000369513549 427984520 /nfs/dbraw/zinc/98/45/20/427984520.db2.gz ZOQXZMFHAFKHEM-UHFFFAOYSA-N 1 1 321.421 2.637 20 5 DFBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413197436 427988361 /nfs/dbraw/zinc/98/83/61/427988361.db2.gz GRBOZNIFJSXWST-LBPRGKRZSA-N 1 1 310.373 2.909 20 5 DFBDMO Cc1c(C[N@@H+](C)C[C@H]2CCc3nccn3C2)cccc1[N+](=O)[O-] ZINC000369617749 428017429 /nfs/dbraw/zinc/01/74/29/428017429.db2.gz QXLADPHPGJWPEH-CQSZACIVSA-N 1 1 314.389 2.794 20 5 DFBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000413534716 428074665 /nfs/dbraw/zinc/07/46/65/428074665.db2.gz RNWOMAHCCGNWHY-AWEZNQCLSA-N 1 1 312.373 2.701 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000377174610 428077673 /nfs/dbraw/zinc/07/76/73/428077673.db2.gz HIJGESJPCQQNRP-BBRMVZONSA-N 1 1 317.389 2.718 20 5 DFBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[N@@H+](C)C(C)C ZINC000341529065 428093519 /nfs/dbraw/zinc/09/35/19/428093519.db2.gz HLXFKZYLJIYQMI-UHFFFAOYSA-N 1 1 323.393 2.832 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1c1ccccc1 ZINC000370046246 428119180 /nfs/dbraw/zinc/11/91/80/428119180.db2.gz QMRTWJXFOXXPKF-UKRRQHHQSA-N 1 1 314.389 2.954 20 5 DFBDMO CC(C)[N@@H+](C)CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359339 428134492 /nfs/dbraw/zinc/13/44/92/428134492.db2.gz GGMKYYIOJHDHDH-UHFFFAOYSA-N 1 1 302.378 3.285 20 5 DFBDMO CCCCCNC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545355 428145197 /nfs/dbraw/zinc/14/51/97/428145197.db2.gz WUHADSDEUJWYPT-CQSZACIVSA-N 1 1 321.421 2.764 20 5 DFBDMO CCCCCNC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545355 428145206 /nfs/dbraw/zinc/14/52/06/428145206.db2.gz WUHADSDEUJWYPT-CQSZACIVSA-N 1 1 321.421 2.764 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000352545797 428145563 /nfs/dbraw/zinc/14/55/63/428145563.db2.gz LVUNRHKZIZCYEN-CQSZACIVSA-N 1 1 308.378 2.850 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)C1CCCCC1)CCO2 ZINC000352709294 428214267 /nfs/dbraw/zinc/21/42/67/428214267.db2.gz ZZOGDOVJWBSAMC-MRXNPFEDSA-N 1 1 320.389 2.730 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)C1CCCCC1)CCO2 ZINC000352709294 428214272 /nfs/dbraw/zinc/21/42/72/428214272.db2.gz ZZOGDOVJWBSAMC-MRXNPFEDSA-N 1 1 320.389 2.730 20 5 DFBDMO C[N@H+]1CCCC[C@@H]1CCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707545 428215674 /nfs/dbraw/zinc/21/56/74/428215674.db2.gz SMSFNENTIWGBMG-OAHLLOKOSA-N 1 1 319.405 2.664 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000377749489 428216183 /nfs/dbraw/zinc/21/61/83/428216183.db2.gz ZUCCXRUMIMKRHQ-XYPHTWIQSA-N 1 1 319.405 2.896 20 5 DFBDMO CCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)C ZINC000346592179 428231584 /nfs/dbraw/zinc/23/15/84/428231584.db2.gz KUGKIBIXTPWTNP-UHFFFAOYSA-N 1 1 319.405 2.852 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000346488552 428192007 /nfs/dbraw/zinc/19/20/07/428192007.db2.gz NOHDLAQKBLWSTF-INIZCTEOSA-N 1 1 313.357 2.952 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000352676222 428197047 /nfs/dbraw/zinc/19/70/47/428197047.db2.gz GQCDFRRLADMFTR-OAHLLOKOSA-N 1 1 308.378 2.994 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000352676222 428197054 /nfs/dbraw/zinc/19/70/54/428197054.db2.gz GQCDFRRLADMFTR-OAHLLOKOSA-N 1 1 308.378 2.994 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000377937972 428265789 /nfs/dbraw/zinc/26/57/89/428265789.db2.gz AKPIGOJYMCAMHX-OAHLLOKOSA-N 1 1 314.389 2.783 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000370711170 428281577 /nfs/dbraw/zinc/28/15/77/428281577.db2.gz OEKZPQTYCKRTMD-RHSMWYFYSA-N 1 1 320.389 2.673 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000370711170 428281581 /nfs/dbraw/zinc/28/15/81/428281581.db2.gz OEKZPQTYCKRTMD-RHSMWYFYSA-N 1 1 320.389 2.673 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000352865117 428283429 /nfs/dbraw/zinc/28/34/29/428283429.db2.gz AHBQJJVTMRGYCF-GTBONMDNSA-N 1 1 317.389 2.599 20 5 DFBDMO CCC(=O)N[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000352865117 428283434 /nfs/dbraw/zinc/28/34/34/428283434.db2.gz AHBQJJVTMRGYCF-GTBONMDNSA-N 1 1 317.389 2.599 20 5 DFBDMO C[N@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]2[C@@H]1c1ccccc1 ZINC000377836661 428243519 /nfs/dbraw/zinc/24/35/19/428243519.db2.gz DDYWDUXXWFAZLZ-KYJSFNMBSA-N 1 1 324.384 2.729 20 5 DFBDMO CS[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000352776979 428243769 /nfs/dbraw/zinc/24/37/69/428243769.db2.gz FINULYWTLLYHEN-VBNZEHGJSA-N 1 1 323.462 2.942 20 5 DFBDMO CS[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000352776979 428243773 /nfs/dbraw/zinc/24/37/73/428243773.db2.gz FINULYWTLLYHEN-VBNZEHGJSA-N 1 1 323.462 2.942 20 5 DFBDMO COc1cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000352780084 428245778 /nfs/dbraw/zinc/24/57/78/428245778.db2.gz RPAHXNBZVLHVEP-LLVKDONJSA-N 1 1 304.350 2.530 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000352780084 428245783 /nfs/dbraw/zinc/24/57/83/428245783.db2.gz RPAHXNBZVLHVEP-LLVKDONJSA-N 1 1 304.350 2.530 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352780024 428246422 /nfs/dbraw/zinc/24/64/22/428246422.db2.gz RCHPITXEWHUOQP-CHWSQXEVSA-N 1 1 307.394 2.518 20 5 DFBDMO [NH3+][C@@H]1CCC[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000346825551 428334652 /nfs/dbraw/zinc/33/46/52/428334652.db2.gz QJUABCCRYJRFNR-ZLPVVSKCSA-N 1 1 301.390 2.667 20 5 DFBDMO Cc1cccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000346865550 428350328 /nfs/dbraw/zinc/35/03/28/428350328.db2.gz CSKNMDOGNDTDLO-UHFFFAOYSA-N 1 1 300.318 2.617 20 5 DFBDMO CC[C@@H](C)[NH+]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000296026025 273716480 /nfs/dbraw/zinc/71/64/80/273716480.db2.gz OQMJAFSIKAAQPK-GFCCVEGCSA-N 1 1 305.378 2.718 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC3CCC2CC3)c2c(c1)COCO2 ZINC000378374581 428381510 /nfs/dbraw/zinc/38/15/10/428381510.db2.gz DQNHDKNKFFBZMC-UHFFFAOYSA-N 1 1 304.346 2.836 20 5 DFBDMO COc1ccc(-c2ccc(CNC[C@@H](C)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414870277 428439445 /nfs/dbraw/zinc/43/94/45/428439445.db2.gz BXYZCMCZRZWSKH-NSHDSACASA-N 1 1 319.361 2.548 20 5 DFBDMO Cc1ccc(C[NH2+]CCCNCc2cccnc2)cc1[N+](=O)[O-] ZINC000414885097 428444114 /nfs/dbraw/zinc/44/41/14/428444114.db2.gz VHBKOQRKQSHDFK-UHFFFAOYSA-N 1 1 314.389 2.568 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000360959092 428510600 /nfs/dbraw/zinc/51/06/00/428510600.db2.gz FCRQIJAAKIICAW-NWDGAFQWSA-N 1 1 309.414 2.652 20 5 DFBDMO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000343076707 428517129 /nfs/dbraw/zinc/51/71/29/428517129.db2.gz NSUUTVQMZUPTCL-ZIAGYGMSSA-N 1 1 319.405 2.516 20 5 DFBDMO C[C@@H]1C[C@@H]1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353408667 428523603 /nfs/dbraw/zinc/52/36/03/428523603.db2.gz UPYRRIPBHNAZNP-KYOSRNDESA-N 1 1 300.362 2.663 20 5 DFBDMO CCc1nc(N(C)CCc2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000343152428 428528003 /nfs/dbraw/zinc/52/80/03/428528003.db2.gz GQKNCHKOJJOBON-UHFFFAOYSA-N 1 1 300.362 2.935 20 5 DFBDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000343873076 428588297 /nfs/dbraw/zinc/58/82/97/428588297.db2.gz GXSJWVCMXAXVLW-UHFFFAOYSA-N 1 1 324.377 2.767 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@]2(CCOC2)O1 ZINC000373477674 428588381 /nfs/dbraw/zinc/58/83/81/428588381.db2.gz ATMSDBFBENZLJM-DLBZAZTESA-N 1 1 320.389 2.673 20 5 DFBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000361153368 428540642 /nfs/dbraw/zinc/54/06/42/428540642.db2.gz HZNANOBHFNWGRA-NHYWBVRUSA-N 1 1 318.402 3.156 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000347350094 428560339 /nfs/dbraw/zinc/56/03/39/428560339.db2.gz CJTVGMTVCXVMHE-IDKBZEPQSA-N 1 1 301.390 2.778 20 5 DFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347573356 428607036 /nfs/dbraw/zinc/60/70/36/428607036.db2.gz VJRBFZYNVNJUJR-AGIUHOORSA-N 1 1 305.378 2.900 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347578502 428609361 /nfs/dbraw/zinc/60/93/61/428609361.db2.gz ICSVFLRITAPLGK-FRRDWIJNSA-N 1 1 305.378 2.900 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000344031981 428612476 /nfs/dbraw/zinc/61/24/76/428612476.db2.gz OBDWBSGCYRQIIF-DGCLKSJQSA-N 1 1 303.362 2.654 20 5 DFBDMO COc1cc(N2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])cc1F ZINC000364632684 274096285 /nfs/dbraw/zinc/09/62/85/274096285.db2.gz JAMSMNAJNLKJCO-UHFFFAOYSA-N 1 1 323.368 2.807 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116281021 274373957 /nfs/dbraw/zinc/37/39/57/274373957.db2.gz HZVKJCZOUKDXDV-BXUZGUMPSA-N 1 1 309.797 2.917 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000358914242 428729785 /nfs/dbraw/zinc/72/97/85/428729785.db2.gz KYIUJGJBCQYUNY-CYBMUJFWSA-N 1 1 307.398 2.548 20 5 DFBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)s1 ZINC000348254115 428679031 /nfs/dbraw/zinc/67/90/31/428679031.db2.gz MKROICPLZSSIOM-SSDOTTSWSA-N 1 1 300.771 2.894 20 5 DFBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000374493059 428683882 /nfs/dbraw/zinc/68/38/82/428683882.db2.gz UGWQTBQPCBCILL-SKDRFNHKSA-N 1 1 324.431 3.218 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[C@@H]1O ZINC000348545713 428783995 /nfs/dbraw/zinc/78/39/95/428783995.db2.gz LBLKIKOKMJLWOX-NEPJUHHUSA-N 1 1 316.304 2.541 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411368969 428785916 /nfs/dbraw/zinc/78/59/16/428785916.db2.gz WPORCOSCAFJFCZ-LLVKDONJSA-N 1 1 309.366 2.662 20 5 DFBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000375102126 428799688 /nfs/dbraw/zinc/79/96/88/428799688.db2.gz WAOVOVJIRLKFJT-CQSZACIVSA-N 1 1 308.378 2.852 20 5 DFBDMO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](C)O ZINC000348711115 428818589 /nfs/dbraw/zinc/81/85/89/428818589.db2.gz FJCGSLDOCQBUBG-LLVKDONJSA-N 1 1 321.402 2.921 20 5 DFBDMO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](C)O ZINC000348711115 428818593 /nfs/dbraw/zinc/81/85/93/428818593.db2.gz FJCGSLDOCQBUBG-LLVKDONJSA-N 1 1 321.402 2.921 20 5 DFBDMO O=C(CC[N@H+]1CC[C@@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411568334 428820679 /nfs/dbraw/zinc/82/06/79/428820679.db2.gz KCOLBZLJFXIANI-SWLSCSKDSA-N 1 1 303.362 2.798 20 5 DFBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000354023506 428828231 /nfs/dbraw/zinc/82/82/31/428828231.db2.gz CTPMCMRWGQAOLT-KGLIPLIRSA-N 1 1 322.405 2.703 20 5 DFBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000411682708 428838265 /nfs/dbraw/zinc/83/82/65/428838265.db2.gz GGKMWYMEVQXQLI-CQSZACIVSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000354057480 428840695 /nfs/dbraw/zinc/84/06/95/428840695.db2.gz VRYRXGWSLYQZPT-MRXNPFEDSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1ccc(C[N@H+]2CCCNC(=O)[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000354057480 428840702 /nfs/dbraw/zinc/84/07/02/428840702.db2.gz VRYRXGWSLYQZPT-MRXNPFEDSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000354057479 428841563 /nfs/dbraw/zinc/84/15/63/428841563.db2.gz VRYRXGWSLYQZPT-INIZCTEOSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000354057479 428841567 /nfs/dbraw/zinc/84/15/67/428841567.db2.gz VRYRXGWSLYQZPT-INIZCTEOSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000411783299 428858404 /nfs/dbraw/zinc/85/84/04/428858404.db2.gz FYYJUJBCGGVIFJ-SMDDNHRTSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000411783299 428858406 /nfs/dbraw/zinc/85/84/06/428858406.db2.gz FYYJUJBCGGVIFJ-SMDDNHRTSA-N 1 1 315.377 2.962 20 5 DFBDMO Cc1nc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000363193231 428880610 /nfs/dbraw/zinc/88/06/10/428880610.db2.gz UAWWCSVFVGSAFO-UHFFFAOYSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nnc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)[nH]1 ZINC000363193231 428880617 /nfs/dbraw/zinc/88/06/17/428880617.db2.gz UAWWCSVFVGSAFO-UHFFFAOYSA-N 1 1 315.377 2.709 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000345516793 428918082 /nfs/dbraw/zinc/91/80/82/428918082.db2.gz AETINKMNLVDDRV-ZDUSSCGKSA-N 1 1 307.394 2.753 20 5 DFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000375601646 428920427 /nfs/dbraw/zinc/92/04/27/428920427.db2.gz ZLEWYZILJVCNLV-CYBMUJFWSA-N 1 1 318.402 2.762 20 5 DFBDMO CC(C)CCOCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000345537157 428926236 /nfs/dbraw/zinc/92/62/36/428926236.db2.gz JJMHHAXGUQZMJH-UHFFFAOYSA-N 1 1 321.421 2.780 20 5 DFBDMO CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224672 428927651 /nfs/dbraw/zinc/92/76/51/428927651.db2.gz ONELPOLZXUBGQD-GJZGRUSLSA-N 1 1 321.421 2.778 20 5 DFBDMO CCN1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224672 428927657 /nfs/dbraw/zinc/92/76/57/428927657.db2.gz ONELPOLZXUBGQD-GJZGRUSLSA-N 1 1 321.421 2.778 20 5 DFBDMO Cc1cc(N2CC[C@@H](c3[nH+]ccn3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360050174 274710016 /nfs/dbraw/zinc/71/00/16/274710016.db2.gz JPZYZFMKWOBLBV-LLVKDONJSA-N 1 1 304.325 2.770 20 5 DFBDMO C[C@@H]1CC(C)(C)C[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000412049342 428927643 /nfs/dbraw/zinc/92/76/43/428927643.db2.gz WEQVKXQEZAUCFY-IUODEOHRSA-N 1 1 317.389 2.821 20 5 DFBDMO CCN1CC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224672 428927661 /nfs/dbraw/zinc/92/76/61/428927661.db2.gz ONELPOLZXUBGQD-GJZGRUSLSA-N 1 1 321.421 2.778 20 5 DFBDMO C[C@H]1CC(C)(C)C[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000412049343 428928633 /nfs/dbraw/zinc/92/86/33/428928633.db2.gz WEQVKXQEZAUCFY-SWLSCSKDSA-N 1 1 317.389 2.821 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccon1 ZINC000349279194 428954059 /nfs/dbraw/zinc/95/40/59/428954059.db2.gz OHBFKYFPZISGLI-LLVKDONJSA-N 1 1 318.333 2.571 20 5 DFBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@]4(CCOC4)C3)nc2c1 ZINC000451909843 429017878 /nfs/dbraw/zinc/01/78/78/429017878.db2.gz XOINAPDTQYPJRQ-INIZCTEOSA-N 1 1 317.345 2.739 20 5 DFBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375965004 429030456 /nfs/dbraw/zinc/03/04/56/429030456.db2.gz ZGXPCGBGRQXVII-DOMZBBRYSA-N 1 1 318.377 2.685 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808613 428983271 /nfs/dbraw/zinc/98/32/71/428983271.db2.gz DCNYQRXJSIONCI-DLBZAZTESA-N 1 1 303.406 2.696 20 5 DFBDMO CN1CCC[C@H]1[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808613 428983278 /nfs/dbraw/zinc/98/32/78/428983278.db2.gz DCNYQRXJSIONCI-DLBZAZTESA-N 1 1 303.406 2.696 20 5 DFBDMO CN1CCC[C@H]1[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808613 428983283 /nfs/dbraw/zinc/98/32/83/428983283.db2.gz DCNYQRXJSIONCI-DLBZAZTESA-N 1 1 303.406 2.696 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451825361 428989507 /nfs/dbraw/zinc/98/95/07/428989507.db2.gz CYTQBOVDGYPCLV-HZPDHXFCSA-N 1 1 320.389 2.993 20 5 DFBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)c(Cl)c1 ZINC000433232208 429013383 /nfs/dbraw/zinc/01/33/83/429013383.db2.gz BNRROVYGSREAAG-UHFFFAOYSA-N 1 1 312.732 2.716 20 5 DFBDMO COC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452094273 429055693 /nfs/dbraw/zinc/05/56/93/429055693.db2.gz WCBMEWKBABPMSR-AWEZNQCLSA-N 1 1 308.378 2.722 20 5 DFBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000452098943 429056220 /nfs/dbraw/zinc/05/62/20/429056220.db2.gz GJZDUYIOYVOQRU-CYBMUJFWSA-N 1 1 308.378 2.852 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000375488783 274898877 /nfs/dbraw/zinc/89/88/77/274898877.db2.gz UEOQRBNPAMKLSU-ZDUSSCGKSA-N 1 1 323.356 2.870 20 5 DFBDMO CC(=O)c1cc(N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000376222154 429079713 /nfs/dbraw/zinc/07/97/13/429079713.db2.gz PDPVXCFVKRIDFY-SJORKVTESA-N 1 1 317.389 2.860 20 5 DFBDMO COc1cc(NCc2c[nH+]c3n2CCCC3)ccc1[N+](=O)[O-] ZINC000376473170 429118823 /nfs/dbraw/zinc/11/88/23/429118823.db2.gz GOZUYIPPKFSODQ-UHFFFAOYSA-N 1 1 302.334 2.748 20 5 DFBDMO CN(C(=O)C[N@H+]1C[C@H]2CCCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000363926382 429140453 /nfs/dbraw/zinc/14/04/53/429140453.db2.gz WAZQYKWJPSYIFF-CJNGLKHVSA-N 1 1 317.389 2.822 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]cnc3C1)CCC2 ZINC000368102956 275038470 /nfs/dbraw/zinc/03/84/70/275038470.db2.gz RAQBZRXJFOAUQX-IUODEOHRSA-N 1 1 312.373 2.842 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3cn[nH]c3C1)CCC2 ZINC000365735536 275038594 /nfs/dbraw/zinc/03/85/94/275038594.db2.gz LMGCRYOAOHMAPL-XJKSGUPXSA-N 1 1 312.373 2.842 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000364020401 429159639 /nfs/dbraw/zinc/15/96/39/429159639.db2.gz PVFFTWUONCPFPD-HZPDHXFCSA-N 1 1 317.389 2.602 20 5 DFBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000364436442 429202682 /nfs/dbraw/zinc/20/26/82/429202682.db2.gz YBKNUCNQGHWVSZ-SFHVURJKSA-N 1 1 323.352 2.691 20 5 DFBDMO O=c1[nH]ccc2c1C[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])CC2 ZINC000365243477 429287040 /nfs/dbraw/zinc/28/70/40/429287040.db2.gz RBTRKEVCWDQJHD-HWKANZROSA-N 1 1 311.341 2.767 20 5 DFBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000425289574 429257415 /nfs/dbraw/zinc/25/74/15/429257415.db2.gz VQCMKHGWXTUHMR-BLLLJJGKSA-N 1 1 312.373 2.673 20 5 DFBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489860397 429265025 /nfs/dbraw/zinc/26/50/25/429265025.db2.gz CHHKTHOGCRKKAP-CYBMUJFWSA-N 1 1 308.378 2.599 20 5 DFBDMO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365024709 429273700 /nfs/dbraw/zinc/27/37/00/429273700.db2.gz DBAZZWCOVJSWNC-UONOGXRCSA-N 1 1 312.373 3.182 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425353984 429274624 /nfs/dbraw/zinc/27/46/24/429274624.db2.gz JNAAOUXVVYJMFX-XJKSGUPXSA-N 1 1 319.405 2.520 20 5 DFBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425361407 429277734 /nfs/dbraw/zinc/27/77/34/429277734.db2.gz XWNKWRZFPUYLAR-ZDUSSCGKSA-N 1 1 315.377 2.826 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000425526370 429317566 /nfs/dbraw/zinc/31/75/66/429317566.db2.gz WWRJAXMQAGJZRQ-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000425526370 429317569 /nfs/dbraw/zinc/31/75/69/429317569.db2.gz WWRJAXMQAGJZRQ-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426454378 429391567 /nfs/dbraw/zinc/39/15/67/429391567.db2.gz OXNORQKDMNIUID-DOMZBBRYSA-N 1 1 303.362 2.716 20 5 DFBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000426455664 429392756 /nfs/dbraw/zinc/39/27/56/429392756.db2.gz BODRYQZNXRPRCD-MRXNPFEDSA-N 1 1 308.378 2.588 20 5 DFBDMO COCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426521618 429400420 /nfs/dbraw/zinc/40/04/20/429400420.db2.gz HXMFOUMRCOMZEF-OAHLLOKOSA-N 1 1 322.405 2.956 20 5 DFBDMO COc1cc(C[NH2+]Cc2ccnc(C)c2)c([N+](=O)[O-])cc1OC ZINC000449403714 429407487 /nfs/dbraw/zinc/40/74/87/429407487.db2.gz RFBHAGYPPRDRDA-UHFFFAOYSA-N 1 1 317.345 2.605 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3CCO)co2)cc1 ZINC000426247729 429376730 /nfs/dbraw/zinc/37/67/30/429376730.db2.gz GLHGDOKPMIOTBR-CQSZACIVSA-N 1 1 317.345 2.597 20 5 DFBDMO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000366466033 429458308 /nfs/dbraw/zinc/45/83/08/429458308.db2.gz PVVZEPULIGEHSD-KRWDZBQOSA-N 1 1 320.389 2.755 20 5 DFBDMO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000366466033 429458313 /nfs/dbraw/zinc/45/83/13/429458313.db2.gz PVVZEPULIGEHSD-KRWDZBQOSA-N 1 1 320.389 2.755 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000366854568 429527693 /nfs/dbraw/zinc/52/76/93/429527693.db2.gz QFPHLTDSXUHDQU-MRXNPFEDSA-N 1 1 304.390 2.886 20 5 DFBDMO C[C@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@H+]1C1CC1 ZINC000519613316 429471665 /nfs/dbraw/zinc/47/16/65/429471665.db2.gz NLZBYLORHNYZFG-WCQYABFASA-N 1 1 312.373 3.180 20 5 DFBDMO C[C@@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@H+]1C1CC1 ZINC000519613310 429472157 /nfs/dbraw/zinc/47/21/57/429472157.db2.gz NLZBYLORHNYZFG-DGCLKSJQSA-N 1 1 312.373 3.180 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449675278 429475084 /nfs/dbraw/zinc/47/50/84/429475084.db2.gz ZEJIGTAYUHHDLH-DGCLKSJQSA-N 1 1 318.295 2.648 20 5 DFBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492208619 429488021 /nfs/dbraw/zinc/48/80/21/429488021.db2.gz JHKUCRINMIDMGA-SNVBAGLBSA-N 1 1 312.753 2.776 20 5 DFBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492208619 429488025 /nfs/dbraw/zinc/48/80/25/429488025.db2.gz JHKUCRINMIDMGA-SNVBAGLBSA-N 1 1 312.753 2.776 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000366963642 429549639 /nfs/dbraw/zinc/54/96/39/429549639.db2.gz VDWIBMDAZQNKFC-HNNXBMFYSA-N 1 1 311.341 2.511 20 5 DFBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000366963642 429549643 /nfs/dbraw/zinc/54/96/43/429549643.db2.gz VDWIBMDAZQNKFC-HNNXBMFYSA-N 1 1 311.341 2.511 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367068016 429569086 /nfs/dbraw/zinc/56/90/86/429569086.db2.gz PILXFAWAXWBPAP-KRWDZBQOSA-N 1 1 320.389 2.866 20 5 DFBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429011642 429571597 /nfs/dbraw/zinc/57/15/97/429571597.db2.gz SYAXLUIRTSEDRY-CKEIUWERSA-N 1 1 303.406 2.757 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492661051 429588594 /nfs/dbraw/zinc/58/85/94/429588594.db2.gz ZZCSLBIEHQQTBK-HUUCEWRRSA-N 1 1 320.389 2.994 20 5 DFBDMO C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000429558348 429616895 /nfs/dbraw/zinc/61/68/95/429616895.db2.gz FCJMJAJFVHZQMV-OCCSQVGLSA-N 1 1 317.389 2.604 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429575041 429617760 /nfs/dbraw/zinc/61/77/60/429617760.db2.gz CDWGGGZDBAIVGM-DGCLKSJQSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000429396925 429604735 /nfs/dbraw/zinc/60/47/35/429604735.db2.gz XTWSOKOGWXWBHL-LBPRGKRZSA-N 1 1 309.435 2.963 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1F ZINC000367267747 429609339 /nfs/dbraw/zinc/60/93/39/429609339.db2.gz SHVGAVMSTDGQCT-ZDUSSCGKSA-N 1 1 304.325 2.768 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1F ZINC000367267747 429609342 /nfs/dbraw/zinc/60/93/42/429609342.db2.gz SHVGAVMSTDGQCT-ZDUSSCGKSA-N 1 1 304.325 2.768 20 5 DFBDMO Cc1c(C[N@@H+](C)CCCNC(=O)C2CCC2)cccc1[N+](=O)[O-] ZINC000429545932 429613770 /nfs/dbraw/zinc/61/37/70/429613770.db2.gz GSHPRTPJRLYOMW-UHFFFAOYSA-N 1 1 319.405 2.641 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCn1ccnc1C ZINC000430216842 429663827 /nfs/dbraw/zinc/66/38/27/429663827.db2.gz IKBDULLSEFKLKA-UHFFFAOYSA-N 1 1 318.377 2.630 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000525706422 429666934 /nfs/dbraw/zinc/66/69/34/429666934.db2.gz AOGPVRFMECEJQA-UHFFFAOYSA-N 1 1 307.394 2.914 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243987 429667142 /nfs/dbraw/zinc/66/71/42/429667142.db2.gz NGPZXLITABSPLM-HIFRSBDPSA-N 1 1 321.421 2.908 20 5 DFBDMO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000354084888 276100259 /nfs/dbraw/zinc/10/02/59/276100259.db2.gz RTCGWDUUMYENOC-MRXNPFEDSA-N 1 1 321.421 2.528 20 5 DFBDMO CC1=C[C@H](C)C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430276057 429671939 /nfs/dbraw/zinc/67/19/39/429671939.db2.gz CKTAPRNAEKXUQW-AAEUAGOBSA-N 1 1 303.362 2.820 20 5 DFBDMO CC1=C[C@H](C)C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430276057 429671940 /nfs/dbraw/zinc/67/19/40/429671940.db2.gz CKTAPRNAEKXUQW-AAEUAGOBSA-N 1 1 303.362 2.820 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246785189 276212996 /nfs/dbraw/zinc/21/29/96/276212996.db2.gz NRMBAAJCGHTNGP-DZGCQCFKSA-N 1 1 319.405 2.706 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000359083720 276214609 /nfs/dbraw/zinc/21/46/09/276214609.db2.gz PJBKMDFTIQFPJZ-ZIAGYGMSSA-N 1 1 306.410 2.916 20 5 DFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000267594776 276233303 /nfs/dbraw/zinc/23/33/03/276233303.db2.gz QYVLTZSFFJHUDU-KGLIPLIRSA-N 1 1 317.389 2.602 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266191289 276394385 /nfs/dbraw/zinc/39/43/85/276394385.db2.gz BQRHPUBKPYCJJZ-WCQYABFASA-N 1 1 322.365 2.670 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](CO)[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000451263710 429799912 /nfs/dbraw/zinc/79/99/12/429799912.db2.gz IGYIQCYLTHRAMK-KGLIPLIRSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@H+]1C ZINC000487081873 429765228 /nfs/dbraw/zinc/76/52/28/429765228.db2.gz AIMBHOJTJRAFMM-INIZCTEOSA-N 1 1 314.389 2.919 20 5 DFBDMO C[C@]1(F)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451117109 429770649 /nfs/dbraw/zinc/77/06/49/429770649.db2.gz UEARCNVVKLSUDP-HNNXBMFYSA-N 1 1 309.341 2.747 20 5 DFBDMO C[C@@]1(F)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451117110 429771474 /nfs/dbraw/zinc/77/14/74/429771474.db2.gz UEARCNVVKLSUDP-OAHLLOKOSA-N 1 1 309.341 2.747 20 5 DFBDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451141258 429774065 /nfs/dbraw/zinc/77/40/65/429774065.db2.gz DMUMHZZPWBHHOD-IVZWLZJFSA-N 1 1 320.315 2.880 20 5 DFBDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000451141258 429774070 /nfs/dbraw/zinc/77/40/70/429774070.db2.gz DMUMHZZPWBHHOD-IVZWLZJFSA-N 1 1 320.315 2.880 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000451548627 429850117 /nfs/dbraw/zinc/85/01/17/429850117.db2.gz VFJNEFGPMDIYKQ-IUODEOHRSA-N 1 1 308.378 2.850 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000451569851 429855890 /nfs/dbraw/zinc/85/58/90/429855890.db2.gz OTTZWVLHCXQDBZ-IUODEOHRSA-N 1 1 308.378 2.850 20 5 DFBDMO Cc1cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000368660965 429884543 /nfs/dbraw/zinc/88/45/43/429884543.db2.gz WXZYTAKCUDOUDH-UKRRQHHQSA-N 1 1 317.389 2.602 20 5 DFBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000368670612 429885481 /nfs/dbraw/zinc/88/54/81/429885481.db2.gz FGHMPIMFPISTHR-DLBZAZTESA-N 1 1 317.389 2.570 20 5 DFBDMO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000368690957 429887802 /nfs/dbraw/zinc/88/78/02/429887802.db2.gz YAYUFATVOWWTIA-HOTGVXAUSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C4(CC4)C3)o2)cc1 ZINC000368800534 429894874 /nfs/dbraw/zinc/89/48/74/429894874.db2.gz PGAHUVWSZPQIKI-INIZCTEOSA-N 1 1 314.341 2.812 20 5 DFBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000369243894 429921125 /nfs/dbraw/zinc/92/11/25/429921125.db2.gz NJNIFPPKFBARMY-LLVKDONJSA-N 1 1 304.325 2.629 20 5 DFBDMO Cc1c(C[N@H+]2CCCC[C@H]2Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000369281219 429922431 /nfs/dbraw/zinc/92/24/31/429922431.db2.gz VNBRFTAYWXOCNN-HNNXBMFYSA-N 1 1 315.377 2.549 20 5 DFBDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000573106445 429926573 /nfs/dbraw/zinc/92/65/73/429926573.db2.gz TZKVJDLLBLMGHN-ZDUSSCGKSA-N 1 1 313.357 2.993 20 5 DFBDMO Cc1ccnc([C@H]2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000573106445 429926576 /nfs/dbraw/zinc/92/65/76/429926576.db2.gz TZKVJDLLBLMGHN-ZDUSSCGKSA-N 1 1 313.357 2.993 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCO[C@H]3CCC[C@H]32)c1 ZINC000369463675 429949718 /nfs/dbraw/zinc/94/97/18/429949718.db2.gz CJARFFCYUXBFQG-CVEARBPZSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000369471654 429952532 /nfs/dbraw/zinc/95/25/32/429952532.db2.gz OYCGQJQIQCYUBE-DZGCQCFKSA-N 1 1 306.362 2.617 20 5 DFBDMO COc1cccc([N+](=O)[O-])c1NCCc1cn2c([nH+]1)CCCC2 ZINC000574171029 430017678 /nfs/dbraw/zinc/01/76/78/430017678.db2.gz KHJKVGDYULHFPC-UHFFFAOYSA-N 1 1 316.361 2.791 20 5 DFBDMO C[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000193898464 277049627 /nfs/dbraw/zinc/04/96/27/277049627.db2.gz XTFZQQGSVZTMDL-UHFFFAOYSA-N 1 1 319.386 2.587 20 5 DFBDMO C[N@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000193898464 277049628 /nfs/dbraw/zinc/04/96/28/277049628.db2.gz XTFZQQGSVZTMDL-UHFFFAOYSA-N 1 1 319.386 2.587 20 5 DFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000581516089 430216373 /nfs/dbraw/zinc/21/63/73/430216373.db2.gz VPRBYZGIFIOTLB-CSVMTYNTSA-N 1 1 303.406 2.880 20 5 DFBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000582101488 430267092 /nfs/dbraw/zinc/26/70/92/430267092.db2.gz JTLQOTBUNFLJDZ-JTQLQIEISA-N 1 1 306.391 2.799 20 5 DFBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000582101488 430267097 /nfs/dbraw/zinc/26/70/97/430267097.db2.gz JTLQOTBUNFLJDZ-JTQLQIEISA-N 1 1 306.391 2.799 20 5 DFBDMO COCCOCC[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000581694531 430231840 /nfs/dbraw/zinc/23/18/40/430231840.db2.gz VRNXBZICSXYZFX-UHFFFAOYSA-N 1 1 310.394 2.813 20 5 DFBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000568800326 430393692 /nfs/dbraw/zinc/39/36/92/430393692.db2.gz LNNBVHKXYSMQGA-CQSZACIVSA-N 1 1 319.405 2.884 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000568800326 430393695 /nfs/dbraw/zinc/39/36/95/430393695.db2.gz LNNBVHKXYSMQGA-CQSZACIVSA-N 1 1 319.405 2.884 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000569487822 430459358 /nfs/dbraw/zinc/45/93/58/430459358.db2.gz XEJOZZCVUIMOEG-IMMZDGJCSA-N 1 1 320.414 2.816 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000569487822 430459363 /nfs/dbraw/zinc/45/93/63/430459363.db2.gz XEJOZZCVUIMOEG-IMMZDGJCSA-N 1 1 320.414 2.816 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266414263 277937356 /nfs/dbraw/zinc/93/73/56/277937356.db2.gz RASHJNSLFHAOEA-UHFFFAOYSA-N 1 1 302.334 2.711 20 5 DFBDMO COc1cccc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000292659393 278016887 /nfs/dbraw/zinc/01/68/87/278016887.db2.gz CFVDWEYUCLHOKS-INIZCTEOSA-N 1 1 305.378 2.526 20 5 DFBDMO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272737326 278330789 /nfs/dbraw/zinc/33/07/89/278330789.db2.gz CIILSROFVRCGCD-SNVBAGLBSA-N 1 1 323.780 2.628 20 5 DFBDMO Cc1c[nH+]ccc1OC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000278162822 279028224 /nfs/dbraw/zinc/02/82/24/279028224.db2.gz AMCHJDKIQZMYIN-UHFFFAOYSA-N 1 1 314.345 2.741 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000277943718 281257636 /nfs/dbraw/zinc/25/76/36/281257636.db2.gz OGEXUGLCUUUGAG-GXTWGEPZSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000362791190 281257699 /nfs/dbraw/zinc/25/76/99/281257699.db2.gz WRMSCDFHCZNULL-AWEZNQCLSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364884798 281260592 /nfs/dbraw/zinc/26/05/92/281260592.db2.gz GXVBLXLLHOUBOQ-RRFJBIMHSA-N 1 1 301.390 2.824 20 5 DFBDMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000153739172 289058095 /nfs/dbraw/zinc/05/80/95/289058095.db2.gz HXKWPSRLXBRJTI-LBPRGKRZSA-N 1 1 323.393 2.908 20 5 DFBDMO C[C@H]([NH2+]CC(=O)N1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000271788533 289941151 /nfs/dbraw/zinc/94/11/51/289941151.db2.gz UFHYRYSKLLSTRO-ZDUSSCGKSA-N 1 1 305.378 2.648 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000436507842 297007607 /nfs/dbraw/zinc/00/76/07/297007607.db2.gz GPNIBDJJYMLOPF-AWEZNQCLSA-N 1 1 320.393 2.899 20 5 DFBDMO CCC(=O)c1ccc(N[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC000368447105 295457591 /nfs/dbraw/zinc/45/75/91/295457591.db2.gz PJHMHGWNXRXLEG-LBPRGKRZSA-N 1 1 314.345 2.811 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000443893357 297227908 /nfs/dbraw/zinc/22/79/08/297227908.db2.gz CSIBFRJRHFLMOU-UHFFFAOYSA-N 1 1 321.421 2.698 20 5 DFBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000444770492 297250243 /nfs/dbraw/zinc/25/02/43/297250243.db2.gz LLAFCHKLYOPJRY-MRXNPFEDSA-N 1 1 308.378 2.730 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000447816639 297318414 /nfs/dbraw/zinc/31/84/14/297318414.db2.gz LVZSDHTXNMRVQH-SNVBAGLBSA-N 1 1 323.422 2.836 20 5 DFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000447897763 297324757 /nfs/dbraw/zinc/32/47/57/297324757.db2.gz OYQHJZOAVKLUFT-CQSZACIVSA-N 1 1 320.393 2.837 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+]C2(CF)CCOCC2)c(Cl)c1 ZINC000449446841 297468645 /nfs/dbraw/zinc/46/86/45/297468645.db2.gz UPROPUMRARAZJM-UHFFFAOYSA-N 1 1 302.733 2.857 20 5 DFBDMO CCn1cc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000451886277 297893011 /nfs/dbraw/zinc/89/30/11/297893011.db2.gz CZDSEDQDSSXBOB-JTQLQIEISA-N 1 1 314.349 2.538 20 5 DFBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000454138237 298124944 /nfs/dbraw/zinc/12/49/44/298124944.db2.gz CAXSAWVKQRGSDB-CQSZACIVSA-N 1 1 320.393 2.851 20 5 DFBDMO CC1(C)CCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454357786 298161452 /nfs/dbraw/zinc/16/14/52/298161452.db2.gz PHGQOHYVOYUHMB-UHFFFAOYSA-N 1 1 306.366 2.591 20 5 DFBDMO COC(=O)[C@@H](CC(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511129041 300248374 /nfs/dbraw/zinc/24/83/74/300248374.db2.gz ZSMCNZSBESSOTG-OAHLLOKOSA-N 1 1 308.378 2.657 20 5 DFBDMO COC(=O)[C@@H](CC(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511129041 300248375 /nfs/dbraw/zinc/24/83/75/300248375.db2.gz ZSMCNZSBESSOTG-OAHLLOKOSA-N 1 1 308.378 2.657 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000515643225 300316507 /nfs/dbraw/zinc/31/65/07/300316507.db2.gz GZNHUDCOPPAAES-HUUCEWRRSA-N 1 1 320.389 2.994 20 5 DFBDMO CC(C)Oc1nc(N2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000515870109 300324024 /nfs/dbraw/zinc/32/40/24/300324024.db2.gz RMCQCZPFHHQLDD-AWEZNQCLSA-N 1 1 322.409 2.553 20 5 DFBDMO C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000516679278 300355247 /nfs/dbraw/zinc/35/52/47/300355247.db2.gz MMWIFGTVEVCRDS-TZMCWYRMSA-N 1 1 316.405 2.691 20 5 DFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2ccccc21 ZINC000530864832 301069255 /nfs/dbraw/zinc/06/92/55/301069255.db2.gz HTFJOQVIRDMYEY-MRXNPFEDSA-N 1 1 300.362 2.801 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@@H]1C ZINC000532572204 301160923 /nfs/dbraw/zinc/16/09/23/301160923.db2.gz NQBUTMBQXMBFFC-YPMHNXCESA-N 1 1 305.378 2.962 20 5 DFBDMO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCC1 ZINC000532584622 301161349 /nfs/dbraw/zinc/16/13/49/301161349.db2.gz QNVQWXIQARKXMX-UHFFFAOYSA-N 1 1 319.361 2.767 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000533071338 301184958 /nfs/dbraw/zinc/18/49/58/301184958.db2.gz UQPJUPBGPXKDNX-UHFFFAOYSA-N 1 1 314.341 2.738 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000533071338 301184959 /nfs/dbraw/zinc/18/49/59/301184959.db2.gz UQPJUPBGPXKDNX-UHFFFAOYSA-N 1 1 314.341 2.738 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3C4CCC3CC4)n2)cc1 ZINC000533237281 301192445 /nfs/dbraw/zinc/19/24/45/301192445.db2.gz LBOUYTJVBALHMR-UHFFFAOYSA-N 1 1 300.318 2.772 20 5 DFBDMO O=C1CCCN1CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000533539317 301206161 /nfs/dbraw/zinc/20/61/61/301206161.db2.gz JDAUZODBBCUCLC-UHFFFAOYSA-N 1 1 317.389 2.572 20 5 DFBDMO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000539089284 301337646 /nfs/dbraw/zinc/33/76/46/301337646.db2.gz QUNJDTCMPSRWQR-YOEHRIQHSA-N 1 1 305.422 2.847 20 5 DFBDMO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000564039817 302114824 /nfs/dbraw/zinc/11/48/24/302114824.db2.gz MMWSTWZPTJDBGB-CYBMUJFWSA-N 1 1 302.378 2.700 20 5 DFBDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000564039817 302114826 /nfs/dbraw/zinc/11/48/26/302114826.db2.gz MMWSTWZPTJDBGB-CYBMUJFWSA-N 1 1 302.378 2.700 20 5 DFBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000564325296 302128848 /nfs/dbraw/zinc/12/88/48/302128848.db2.gz LZVRNQNUYVYBAF-OAHLLOKOSA-N 1 1 319.405 2.641 20 5 DFBDMO Cc1ccnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269384167 302274259 /nfs/dbraw/zinc/27/42/59/302274259.db2.gz ADLZSASRSVWQDM-ZFWWWQNUSA-N 1 1 316.405 2.751 20 5 DFBDMO CC[C@H]1CCCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181903740 316077597 /nfs/dbraw/zinc/07/75/97/316077597.db2.gz XKCUPFJRUCXHOM-GJZGRUSLSA-N 1 1 322.405 2.989 20 5 DFBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000183182454 316133270 /nfs/dbraw/zinc/13/32/70/316133270.db2.gz YYQNVRZPZQYJSX-BUUCAEBMSA-N 1 1 306.362 2.882 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(F)c1 ZINC000449558104 317044601 /nfs/dbraw/zinc/04/46/01/317044601.db2.gz VUTHZIUQLRNAOL-JMSVASOKSA-N 1 1 308.353 2.717 20 5 DFBDMO COc1ccc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000449629863 317045370 /nfs/dbraw/zinc/04/53/70/317045370.db2.gz GRXNBUHBLWBONW-HOTGVXAUSA-N 1 1 320.389 2.993 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@@H]2COC)ccc1[N+](=O)[O-] ZINC000452036362 317120213 /nfs/dbraw/zinc/12/02/13/317120213.db2.gz IUIFSBAHBSJXGW-CQSZACIVSA-N 1 1 308.378 2.994 20 5 DFBDMO CC(C)[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000488047957 317363032 /nfs/dbraw/zinc/36/30/32/317363032.db2.gz XHANDBXQSYUOIL-AWEZNQCLSA-N 1 1 318.377 2.508 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000574634376 318029636 /nfs/dbraw/zinc/02/96/36/318029636.db2.gz LYYRHBFAWWBNDD-GFCCVEGCSA-N 1 1 312.341 2.742 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000574634376 318029638 /nfs/dbraw/zinc/02/96/38/318029638.db2.gz LYYRHBFAWWBNDD-GFCCVEGCSA-N 1 1 312.341 2.742 20 5 DFBDMO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576143153 318106793 /nfs/dbraw/zinc/10/67/93/318106793.db2.gz NRJUSNVIMPZKLW-LRDDRELGSA-N 1 1 316.405 2.548 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CN1CCCCC1 ZINC000576241830 318113902 /nfs/dbraw/zinc/11/39/02/318113902.db2.gz GXWAUDMSLHZMLC-AWEZNQCLSA-N 1 1 321.421 2.958 20 5 DFBDMO C[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000576296042 318117205 /nfs/dbraw/zinc/11/72/05/318117205.db2.gz ZECYIBYIUQJKLH-KGLIPLIRSA-N 1 1 319.405 2.689 20 5 DFBDMO C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000577864728 318223141 /nfs/dbraw/zinc/22/31/41/318223141.db2.gz STFHZRSCYDRBDH-LBPRGKRZSA-N 1 1 305.378 2.504 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000579706134 318348884 /nfs/dbraw/zinc/34/88/84/318348884.db2.gz YBRAIXJHDBKVOL-CZUORRHYSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000382452642 323299601 /nfs/dbraw/zinc/29/96/01/323299601.db2.gz GQXHFGLSQLAHCY-VXGBXAGGSA-N 1 1 300.362 2.555 20 5 DFBDMO C[N@H+]1CCC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000389600215 323336537 /nfs/dbraw/zinc/33/65/37/323336537.db2.gz STLHNERSHBHXRZ-SECBINFHSA-N 1 1 318.299 2.762 20 5 DFBDMO COC(=O)CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505906550 500786952 /nfs/dbraw/zinc/78/69/52/500786952.db2.gz BJWWYXJVBOFTNJ-UHFFFAOYSA-N 1 1 310.325 2.509 20 5 DFBDMO COc1cc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000305812908 533787474 /nfs/dbraw/zinc/78/74/74/533787474.db2.gz IRGLEORNTWBYML-UKRRQHHQSA-N 1 1 308.378 2.586 20 5 DFBDMO COC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000318659673 534141612 /nfs/dbraw/zinc/14/16/12/534141612.db2.gz XSVSNJMXAUCBHE-UHFFFAOYSA-N 1 1 304.302 2.573 20 5 DFBDMO C[N@H+]1CCCC12CCN(c1c3c(ccc1[N+](=O)[O-])NCC3)CC2 ZINC000364972311 523791053 /nfs/dbraw/zinc/79/10/53/523791053.db2.gz MZWLHDVNXOSRRM-UHFFFAOYSA-N 1 1 316.405 2.627 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000317198493 534810204 /nfs/dbraw/zinc/81/02/04/534810204.db2.gz LBWLUNUIAQVDJU-WDEREUQCSA-N 1 1 323.780 2.605 20 5 DFBDMO Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000154786746 525292018 /nfs/dbraw/zinc/29/20/18/525292018.db2.gz QNEOGCVJGXPSMF-IINYFYTJSA-N 1 1 313.785 2.688 20 5 DFBDMO Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000154786746 525292022 /nfs/dbraw/zinc/29/20/22/525292022.db2.gz QNEOGCVJGXPSMF-IINYFYTJSA-N 1 1 313.785 2.688 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364793181 525456906 /nfs/dbraw/zinc/45/69/06/525456906.db2.gz PHODNSRWYCCXAH-FVQBIDKESA-N 1 1 320.389 2.849 20 5 DFBDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000368608158 525464401 /nfs/dbraw/zinc/46/44/01/525464401.db2.gz LXISTTJEZVBHNE-TZMCWYRMSA-N 1 1 300.362 2.911 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000330716366 526672055 /nfs/dbraw/zinc/67/20/55/526672055.db2.gz UHBDLHQVZZYKIY-HIFRSBDPSA-N 1 1 322.405 2.703 20 5 DFBDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330701508 526732628 /nfs/dbraw/zinc/73/26/28/526732628.db2.gz HUCLHEZFHXNBGK-HOTGVXAUSA-N 1 1 322.405 2.703 20 5 DFBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000365167189 527375127 /nfs/dbraw/zinc/37/51/27/527375127.db2.gz CIQMIMOZIQTULD-ZDUSSCGKSA-N 1 1 318.377 2.733 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330938386 527825665 /nfs/dbraw/zinc/82/56/65/527825665.db2.gz BRDWTOXQMAUUBZ-DOMZBBRYSA-N 1 1 320.393 2.931 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@@H](O)C23CCCC3)ccc1[N+](=O)[O-] ZINC000292837590 528265274 /nfs/dbraw/zinc/26/52/74/528265274.db2.gz UPUAUDSXFCAVNJ-MRXNPFEDSA-N 1 1 320.389 2.873 20 5 DFBDMO CC(C)[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293015818 528746165 /nfs/dbraw/zinc/74/61/65/528746165.db2.gz KVDVMTSUCBVUMF-INIZCTEOSA-N 1 1 308.378 2.721 20 5 DFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C)CO ZINC000293567525 528768622 /nfs/dbraw/zinc/76/86/22/528768622.db2.gz MRNMHGGELGVBQR-SECBINFHSA-N 1 1 306.284 2.816 20 5 DFBDMO CC[N@H+]1CCCC[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302404196 529015371 /nfs/dbraw/zinc/01/53/71/529015371.db2.gz FMOPNAXSSYGKEF-LBPRGKRZSA-N 1 1 304.394 2.849 20 5 DFBDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000318636861 529343668 /nfs/dbraw/zinc/34/36/68/529343668.db2.gz OETHJSYGAMIOLA-LLVKDONJSA-N 1 1 309.366 2.524 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)C1(C)C ZINC000361417030 535021889 /nfs/dbraw/zinc/02/18/89/535021889.db2.gz VRMUGHQLDLTKNR-HNNXBMFYSA-N 1 1 308.378 2.727 20 5 DFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358214538 535997056 /nfs/dbraw/zinc/99/70/56/535997056.db2.gz VHWGCHVKUMKJBL-HOTGVXAUSA-N 1 1 308.378 2.599 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000361377112 536164041 /nfs/dbraw/zinc/16/40/41/536164041.db2.gz IIYTYCLWRKJABC-HOCLYGCPSA-N 1 1 317.389 2.684 20 5 DFBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000361044331 536180804 /nfs/dbraw/zinc/18/08/04/536180804.db2.gz SRBOWWADVSXSBN-ZDUSSCGKSA-N 1 1 323.441 2.671 20 5 DFBDMO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390917 214136170 /nfs/dbraw/zinc/13/61/70/214136170.db2.gz CWMKSHLFTCZRHY-LSDHHAIUSA-N 1 1 321.421 2.746 20 5 DFBDMO C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390917 214136172 /nfs/dbraw/zinc/13/61/72/214136172.db2.gz CWMKSHLFTCZRHY-LSDHHAIUSA-N 1 1 321.421 2.746 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278566071 214242578 /nfs/dbraw/zinc/24/25/78/214242578.db2.gz IWJIROYUEBRINT-OAHLLOKOSA-N 1 1 302.334 2.534 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278566071 214242583 /nfs/dbraw/zinc/24/25/83/214242583.db2.gz IWJIROYUEBRINT-OAHLLOKOSA-N 1 1 302.334 2.534 20 5 DFBDMO C[C@H]1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+]1C ZINC000318281531 231167671 /nfs/dbraw/zinc/16/76/71/231167671.db2.gz LKDDPPUKTDUYFL-DTWKUNHWSA-N 1 1 318.299 2.903 20 5 DFBDMO C[N@H+]1CCC[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[C@@H]21 ZINC000596167634 398346228 /nfs/dbraw/zinc/34/62/28/398346228.db2.gz FPAIDCYWVKILOK-PWSUYJOCSA-N 1 1 310.785 2.564 20 5 DFBDMO Cc1cc(CO)cc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH+]1 ZINC000596169997 398346838 /nfs/dbraw/zinc/34/68/38/398346838.db2.gz NNFSMRDLNCIDIE-UHFFFAOYSA-N 1 1 313.357 2.960 20 5 DFBDMO COc1cc(NCC[N@H+]2CC=CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596226072 398361808 /nfs/dbraw/zinc/36/18/08/398361808.db2.gz UQHQHEWRFFFPKV-UHFFFAOYSA-N 1 1 311.769 2.931 20 5 DFBDMO COc1cc(NCC[N@@H+]2CC=CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596226072 398361811 /nfs/dbraw/zinc/36/18/11/398361811.db2.gz UQHQHEWRFFFPKV-UHFFFAOYSA-N 1 1 311.769 2.931 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000008119167 398369567 /nfs/dbraw/zinc/36/95/67/398369567.db2.gz KDBXXEHKFZIIBR-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008350944 398372105 /nfs/dbraw/zinc/37/21/05/398372105.db2.gz XGOYOXLTAZSMAB-ZDUSSCGKSA-N 1 1 305.378 2.589 20 5 DFBDMO Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596268113 398372123 /nfs/dbraw/zinc/37/21/23/398372123.db2.gz GHNYWKROPZHFQD-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000081849283 398373642 /nfs/dbraw/zinc/37/36/42/398373642.db2.gz JHDGDKJADKTPIF-HUUCEWRRSA-N 1 1 317.389 2.514 20 5 DFBDMO CC[C@H]([NH2+]Cc1ccnc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000295627471 529633576 /nfs/dbraw/zinc/63/35/76/529633576.db2.gz HHNFUHQUSLEEGI-AWEZNQCLSA-N 1 1 302.334 2.634 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596309425 398382710 /nfs/dbraw/zinc/38/27/10/398382710.db2.gz RJLNKGRHCVKXML-VIFPVBQESA-N 1 1 321.406 2.884 20 5 DFBDMO CCCC[N@@H+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171318 398383925 /nfs/dbraw/zinc/38/39/25/398383925.db2.gz JJCIKWALXKSWBB-UHFFFAOYSA-N 1 1 307.350 2.985 20 5 DFBDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000092407379 185316316 /nfs/dbraw/zinc/31/63/16/185316316.db2.gz OLRBRAHFYPIUNO-ZDUSSCGKSA-N 1 1 324.377 2.613 20 5 DFBDMO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000092407379 185316317 /nfs/dbraw/zinc/31/63/17/185316317.db2.gz OLRBRAHFYPIUNO-ZDUSSCGKSA-N 1 1 324.377 2.613 20 5 DFBDMO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000092407380 185316559 /nfs/dbraw/zinc/31/65/59/185316559.db2.gz OLRBRAHFYPIUNO-CYBMUJFWSA-N 1 1 324.377 2.613 20 5 DFBDMO CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000092407380 185316560 /nfs/dbraw/zinc/31/65/60/185316560.db2.gz OLRBRAHFYPIUNO-CYBMUJFWSA-N 1 1 324.377 2.613 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000596335204 398389294 /nfs/dbraw/zinc/38/92/94/398389294.db2.gz GUCNHYXNCDKVHH-VIFPVBQESA-N 1 1 309.395 2.589 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C(C)C)C2)cc1[N+](=O)[O-] ZINC000092706898 185334745 /nfs/dbraw/zinc/33/47/45/185334745.db2.gz SOPYBLGNDUAOAW-HNNXBMFYSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C(C)C)C2)cc1[N+](=O)[O-] ZINC000092706898 185334746 /nfs/dbraw/zinc/33/47/46/185334746.db2.gz SOPYBLGNDUAOAW-HNNXBMFYSA-N 1 1 319.405 2.640 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596360493 398394936 /nfs/dbraw/zinc/39/49/36/398394936.db2.gz MGQYVIQIZJMOPF-AWEZNQCLSA-N 1 1 308.426 2.587 20 5 DFBDMO COc1ccc(C[N@H+]2CC3(C[C@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000592181817 398397773 /nfs/dbraw/zinc/39/77/73/398397773.db2.gz IDOPSTYJMMKZRM-CYBMUJFWSA-N 1 1 320.389 2.994 20 5 DFBDMO Cc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000092967451 185350643 /nfs/dbraw/zinc/35/06/43/185350643.db2.gz PDSZQYPRELCSOV-HNNXBMFYSA-N 1 1 300.362 2.937 20 5 DFBDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248535072 398406947 /nfs/dbraw/zinc/40/69/47/398406947.db2.gz XBLBIDLBFJJAOK-FRFSOERESA-N 1 1 322.405 2.845 20 5 DFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596443441 398413616 /nfs/dbraw/zinc/41/36/16/398413616.db2.gz ZSIAPZUDSKJPCQ-LBPRGKRZSA-N 1 1 320.393 2.837 20 5 DFBDMO O=c1[nH]ccc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596478694 398424183 /nfs/dbraw/zinc/42/41/83/398424183.db2.gz JCSFCUNZDXHTSZ-NSHDSACASA-N 1 1 306.366 2.514 20 5 DFBDMO C[N@@H+](CC(C)(C)C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067379533 398432073 /nfs/dbraw/zinc/43/20/73/398432073.db2.gz KWFBKJITKFDZSI-AWEZNQCLSA-N 1 1 305.378 2.678 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000088725535 398440917 /nfs/dbraw/zinc/44/09/17/398440917.db2.gz SQCPNJFSSAHRMM-RRFJBIMHSA-N 1 1 301.390 2.824 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000067570552 398443991 /nfs/dbraw/zinc/44/39/91/398443991.db2.gz PLHHEFYAMKOUMC-AWEZNQCLSA-N 1 1 317.345 2.529 20 5 DFBDMO Cc1ccnc(NC[C@H]2CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558308 398447111 /nfs/dbraw/zinc/44/71/11/398447111.db2.gz QDPKPZPYRWOEQO-OAHLLOKOSA-N 1 1 312.373 2.985 20 5 DFBDMO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000067652993 398448202 /nfs/dbraw/zinc/44/82/02/398448202.db2.gz BJMCZQDHOKAZFN-MRXNPFEDSA-N 1 1 319.405 2.736 20 5 DFBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000067652993 398448207 /nfs/dbraw/zinc/44/82/07/398448207.db2.gz BJMCZQDHOKAZFN-MRXNPFEDSA-N 1 1 319.405 2.736 20 5 DFBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570042 398450071 /nfs/dbraw/zinc/45/00/71/398450071.db2.gz HOXFLFZFTVBUGB-LBPRGKRZSA-N 1 1 324.812 2.599 20 5 DFBDMO Nc1c(F)c(NC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596570464 398449834 /nfs/dbraw/zinc/44/98/34/398449834.db2.gz LZGKOTYDROFXCA-GFCCVEGCSA-N 1 1 322.384 2.850 20 5 DFBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000026159421 398450557 /nfs/dbraw/zinc/45/05/57/398450557.db2.gz WVHHKSJMYUNAOZ-LBPRGKRZSA-N 1 1 305.378 2.964 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C)C1 ZINC000026159257 398450580 /nfs/dbraw/zinc/45/05/80/398450580.db2.gz FRHSDVCVFZQDMZ-LBPRGKRZSA-N 1 1 305.378 2.964 20 5 DFBDMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000026478526 398454785 /nfs/dbraw/zinc/45/47/85/398454785.db2.gz LTUCECYJGOTXDH-IJEWVQPXSA-N 1 1 322.405 2.845 20 5 DFBDMO C[N@H+]1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834881 530065497 /nfs/dbraw/zinc/06/54/97/530065497.db2.gz ATVCSYLXCIRSJZ-INIZCTEOSA-N 1 1 307.369 2.652 20 5 DFBDMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834883 530059725 /nfs/dbraw/zinc/05/97/25/530059725.db2.gz ATVCSYLXCIRSJZ-MRXNPFEDSA-N 1 1 307.369 2.652 20 5 DFBDMO CC1(C)Cc2n[nH]cc2CN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000596596525 398456503 /nfs/dbraw/zinc/45/65/03/398456503.db2.gz CBDQMFBVBIBQPX-UHFFFAOYSA-N 1 1 316.361 2.608 20 5 DFBDMO O=[N+]([O-])c1c(N[C@@H]2CCc3c[nH+]cn3C2)ccc2ncccc21 ZINC000588067618 398479366 /nfs/dbraw/zinc/47/93/66/398479366.db2.gz CTZDQYDXYHTQSW-LLVKDONJSA-N 1 1 309.329 2.766 20 5 DFBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000592750841 398480592 /nfs/dbraw/zinc/48/05/92/398480592.db2.gz ABMSXUVKOJZQOR-LBPRGKRZSA-N 1 1 316.361 2.621 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272689097 210095507 /nfs/dbraw/zinc/09/55/07/210095507.db2.gz WUGCVZDNJVIHEU-BWTRYIQHSA-N 1 1 301.390 2.634 20 5 DFBDMO Cc1ccc(C[N@@H+](CCO)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000181963851 199368026 /nfs/dbraw/zinc/36/80/26/199368026.db2.gz DRGVIQXZCOPMFG-UHFFFAOYSA-N 1 1 300.358 2.898 20 5 DFBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000068722773 398522752 /nfs/dbraw/zinc/52/27/52/398522752.db2.gz FUNGIVZMBKVKMP-LBPRGKRZSA-N 1 1 300.362 2.897 20 5 DFBDMO COc1ccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000279660695 215040418 /nfs/dbraw/zinc/04/04/18/215040418.db2.gz CNHNSDCDLIPTDT-JSGCOSHPSA-N 1 1 308.378 2.729 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC12CCCC2 ZINC000593038813 398528120 /nfs/dbraw/zinc/52/81/20/398528120.db2.gz LEJSGCYNOAGZAV-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC12CCCC2 ZINC000593038813 398528122 /nfs/dbraw/zinc/52/81/22/398528122.db2.gz LEJSGCYNOAGZAV-UHFFFAOYSA-N 1 1 303.362 2.860 20 5 DFBDMO C[C@@H](CSc1ccccc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000593045456 398529697 /nfs/dbraw/zinc/52/96/97/398529697.db2.gz IYIVGBAKSQHYEU-ZDUSSCGKSA-N 1 1 320.418 2.904 20 5 DFBDMO CCC[N@H+]1CC[C@H](CNc2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000091457696 398530191 /nfs/dbraw/zinc/53/01/91/398530191.db2.gz QNLOPZOQCOSWFO-LLVKDONJSA-N 1 1 311.357 2.886 20 5 DFBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc([N+](=O)[O-])cc1 ZINC000091503771 398533359 /nfs/dbraw/zinc/53/33/59/398533359.db2.gz ALVXMSIQBPHDRK-UHFFFAOYSA-N 1 1 314.345 2.878 20 5 DFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206497 398538145 /nfs/dbraw/zinc/53/81/45/398538145.db2.gz OVHDIQGNISMXBA-BBRMVZONSA-N 1 1 307.369 2.650 20 5 DFBDMO COCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000068911172 398537614 /nfs/dbraw/zinc/53/76/14/398537614.db2.gz SCQFUGQMNRDXAI-LBPRGKRZSA-N 1 1 313.785 2.771 20 5 DFBDMO COc1ccc(CN2CCC[N@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000069081753 398547297 /nfs/dbraw/zinc/54/72/97/398547297.db2.gz VAXLGHBQEBQLHK-UHFFFAOYSA-N 1 1 307.394 2.520 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000589371603 398549124 /nfs/dbraw/zinc/54/91/24/398549124.db2.gz PAIQOUCKTJOGCY-ABAIWWIYSA-N 1 1 320.393 2.619 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000589374608 398549270 /nfs/dbraw/zinc/54/92/70/398549270.db2.gz FIWFJHJXWZWFCF-GFCCVEGCSA-N 1 1 320.393 2.715 20 5 DFBDMO COC1(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC000459618883 299149319 /nfs/dbraw/zinc/14/93/19/299149319.db2.gz GTOBUHXGXNDEBS-UHFFFAOYSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000279776427 215135494 /nfs/dbraw/zinc/13/54/94/215135494.db2.gz NIWNRPOWBHNBGD-KGLIPLIRSA-N 1 1 308.378 2.599 20 5 DFBDMO CC[N@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC000589864895 398581224 /nfs/dbraw/zinc/58/12/24/398581224.db2.gz HVTFJUDQGDWMSI-LBPRGKRZSA-N 1 1 300.362 2.673 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000083748583 192380598 /nfs/dbraw/zinc/38/05/98/192380598.db2.gz WWPSSAQZVVTXLS-UHFFFAOYSA-N 1 1 312.753 2.587 20 5 DFBDMO COCC1(C2CCC2)C[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000597193745 398586972 /nfs/dbraw/zinc/58/69/72/398586972.db2.gz WTJWXWLAISJPDY-UHFFFAOYSA-N 1 1 320.389 2.852 20 5 DFBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000092612757 398587188 /nfs/dbraw/zinc/58/71/88/398587188.db2.gz ZMCHMBGZJNEXET-CQSZACIVSA-N 1 1 320.437 2.589 20 5 DFBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000092650311 398589339 /nfs/dbraw/zinc/58/93/39/398589339.db2.gz LNXOCOARFNVVMK-GFCCVEGCSA-N 1 1 300.362 2.531 20 5 DFBDMO CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000092657438 398590975 /nfs/dbraw/zinc/59/09/75/398590975.db2.gz QWNADEZNYDDWCB-LLVKDONJSA-N 1 1 315.320 2.727 20 5 DFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)o1 ZINC000597210510 398591252 /nfs/dbraw/zinc/59/12/52/398591252.db2.gz HUAPTOOYNXWVDE-YVEFUNNKSA-N 1 1 314.341 2.812 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000597232768 398598957 /nfs/dbraw/zinc/59/89/57/398598957.db2.gz VWZKBGUOASCQEO-OPPWZJLSSA-N 1 1 302.374 2.966 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000597229919 398598979 /nfs/dbraw/zinc/59/89/79/398598979.db2.gz DNERBCMOJDPPTL-OAHLLOKOSA-N 1 1 319.405 2.640 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000597232769 398599098 /nfs/dbraw/zinc/59/90/98/398599098.db2.gz VWZKBGUOASCQEO-VFGVELGVSA-N 1 1 302.374 2.966 20 5 DFBDMO CCOC(=O)C1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000092823574 398601864 /nfs/dbraw/zinc/60/18/64/398601864.db2.gz WWYFHZYPSHQBFM-UHFFFAOYSA-N 1 1 306.362 2.760 20 5 DFBDMO CCOC(=O)N1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072585090 398623754 /nfs/dbraw/zinc/62/37/54/398623754.db2.gz QGZSNXUURAFRDS-ZDUSSCGKSA-N 1 1 321.377 2.820 20 5 DFBDMO CCOC(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072585090 398623756 /nfs/dbraw/zinc/62/37/56/398623756.db2.gz QGZSNXUURAFRDS-ZDUSSCGKSA-N 1 1 321.377 2.820 20 5 DFBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000590522947 398629151 /nfs/dbraw/zinc/62/91/51/398629151.db2.gz IOCSJBMYBQLMFK-GFCCVEGCSA-N 1 1 317.345 2.507 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000590522947 398629153 /nfs/dbraw/zinc/62/91/53/398629153.db2.gz IOCSJBMYBQLMFK-GFCCVEGCSA-N 1 1 317.345 2.507 20 5 DFBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CC[C@H](C)[N@H+]1C 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1 1 322.405 2.847 20 5 DFBDMO CC1([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000183887239 186227666 /nfs/dbraw/zinc/22/76/66/186227666.db2.gz LAUXRMAMCNQYCD-OAHLLOKOSA-N 1 1 320.389 2.612 20 5 DFBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000072869685 398643889 /nfs/dbraw/zinc/64/38/89/398643889.db2.gz YEWMBXWKKSJQAK-TUAOUCFPSA-N 1 1 321.377 2.518 20 5 DFBDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000093865877 398647675 /nfs/dbraw/zinc/64/76/75/398647675.db2.gz KJSWIQYVHBDIAR-MRXNPFEDSA-N 1 1 313.357 2.952 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cc1 ZINC000459730334 299174907 /nfs/dbraw/zinc/17/49/07/299174907.db2.gz SKYOQTYSNRCSCY-HOTGVXAUSA-N 1 1 302.374 2.638 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000459771318 299188254 /nfs/dbraw/zinc/18/82/54/299188254.db2.gz TUFGYTCXQNZXOX-DLBZAZTESA-N 1 1 304.390 2.968 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000172832728 198155576 /nfs/dbraw/zinc/15/55/76/198155576.db2.gz BGBWNDCIKYAGOL-CQSZACIVSA-N 1 1 319.405 2.850 20 5 DFBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cccc1[N+](=O)[O-] ZINC000172958747 198170530 /nfs/dbraw/zinc/17/05/30/198170530.db2.gz VCQGQNBIAGCVHT-RWMBFGLXSA-N 1 1 317.389 2.818 20 5 DFBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cccc1[N+](=O)[O-] ZINC000172958741 198170611 /nfs/dbraw/zinc/17/06/11/198170611.db2.gz VCQGQNBIAGCVHT-UPJWGTAASA-N 1 1 317.389 2.818 20 5 DFBDMO CC1(C)[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000172973480 198172254 /nfs/dbraw/zinc/17/22/54/198172254.db2.gz SKGOCXPUNQXPRY-TXEJJXNPSA-N 1 1 303.362 2.511 20 5 DFBDMO CC[C@@]1(C)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072802706 191229536 /nfs/dbraw/zinc/22/95/36/191229536.db2.gz BUNPPEWMJXJICE-INIZCTEOSA-N 1 1 305.378 2.706 20 5 DFBDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000173188689 198193238 /nfs/dbraw/zinc/19/32/38/198193238.db2.gz OPNKDVFOFNHWCW-RISCZKNCSA-N 1 1 306.366 2.541 20 5 DFBDMO C[C@H](C1CC1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000073800210 398702072 /nfs/dbraw/zinc/70/20/72/398702072.db2.gz KDQQUCYXMXCESA-SNVBAGLBSA-N 1 1 302.334 2.875 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597854647 398704637 /nfs/dbraw/zinc/70/46/37/398704637.db2.gz KNUGDUSDDGSKJC-ZDUSSCGKSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597854411 398704709 /nfs/dbraw/zinc/70/47/09/398704709.db2.gz HFYORIQEETWLAA-CYBMUJFWSA-N 1 1 319.405 2.753 20 5 DFBDMO CCc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859773 398705757 /nfs/dbraw/zinc/70/57/57/398705757.db2.gz XMXSCTRUTIXUPB-AWEZNQCLSA-N 1 1 319.405 2.760 20 5 DFBDMO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000046479120 398708272 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20 5 DFBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174873260 198395740 /nfs/dbraw/zinc/39/57/40/198395740.db2.gz GXHCEIKBJGCQMB-LLVKDONJSA-N 1 1 323.422 2.812 20 5 DFBDMO CCCNC(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593967419 398709490 /nfs/dbraw/zinc/70/94/90/398709490.db2.gz RQAIKJOIYOVESE-UHFFFAOYSA-N 1 1 319.405 2.866 20 5 DFBDMO Cc1c(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cccc1[N+](=O)[O-] ZINC000590970362 398710680 /nfs/dbraw/zinc/71/06/80/398710680.db2.gz ZYYABWORPFFWCP-HOCLYGCPSA-N 1 1 302.374 2.904 20 5 DFBDMO CC(C)(C)C1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590969936 398710780 /nfs/dbraw/zinc/71/07/80/398710780.db2.gz GBJWOUCWHIGDOU-UHFFFAOYSA-N 1 1 306.362 2.844 20 5 DFBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC(C3CCCC3)C1)OCCO2 ZINC000590969133 398711001 /nfs/dbraw/zinc/71/10/01/398711001.db2.gz IGALQLZSMUTNGO-UHFFFAOYSA-N 1 1 318.373 2.988 20 5 DFBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC(C)(C)C1 ZINC000590971387 398711147 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DFBDMO CCOc1cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276977808 213214422 /nfs/dbraw/zinc/21/44/22/213214422.db2.gz XVNDCNUBAHWHNL-DZGCQCFKSA-N 1 1 319.405 2.662 20 5 DFBDMO CCOc1cc(C[N@H+]2CCCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000276982695 213218698 /nfs/dbraw/zinc/21/86/98/213218698.db2.gz YMPMIERUDJRNLU-AWEZNQCLSA-N 1 1 308.378 2.730 20 5 DFBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594094190 398742158 /nfs/dbraw/zinc/74/21/58/398742158.db2.gz IGFUXJKYNJUGIK-GJZGRUSLSA-N 1 1 318.377 2.733 20 5 DFBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CC[N@@H+](CC)C1 ZINC000598039862 398741961 /nfs/dbraw/zinc/74/19/61/398741961.db2.gz AVDMLQCFPBXFFK-NSHDSACASA-N 1 1 311.407 2.521 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282813 398745471 /nfs/dbraw/zinc/74/54/71/398745471.db2.gz SPCBJXVMDVNRPB-VFQAQYNWSA-N 1 1 301.390 2.872 20 5 DFBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1 ZINC000591357452 398752026 /nfs/dbraw/zinc/75/20/26/398752026.db2.gz QYISHWLYVYEGGN-QJPTWQEYSA-N 1 1 306.362 2.858 20 5 DFBDMO COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1O ZINC000080847979 192194937 /nfs/dbraw/zinc/19/49/37/192194937.db2.gz PHWLLVYNEHRRIW-UHFFFAOYSA-N 1 1 302.330 2.941 20 5 DFBDMO COc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1O ZINC000080847979 192194939 /nfs/dbraw/zinc/19/49/39/192194939.db2.gz PHWLLVYNEHRRIW-UHFFFAOYSA-N 1 1 302.330 2.941 20 5 DFBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000047966195 398765771 /nfs/dbraw/zinc/76/57/71/398765771.db2.gz DEDUZJHOZOFGAB-OAHLLOKOSA-N 1 1 308.378 2.599 20 5 DFBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000598342731 398796484 /nfs/dbraw/zinc/79/64/84/398796484.db2.gz LVEUQCJEAJLDFK-GFCCVEGCSA-N 1 1 323.418 2.531 20 5 DFBDMO Cc1c(C[NH+]2CCN(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000051214166 425882857 /nfs/dbraw/zinc/88/28/57/425882857.db2.gz JNCMFHOXSRQSNA-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276828446 213119301 /nfs/dbraw/zinc/11/93/01/213119301.db2.gz ARGGHLVQXGLZSX-AWEZNQCLSA-N 1 1 308.378 2.852 20 5 DFBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000050995336 398815701 /nfs/dbraw/zinc/81/57/01/398815701.db2.gz RVPHJFLOAGVTGS-OAHLLOKOSA-N 1 1 319.405 2.641 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594522066 398815928 /nfs/dbraw/zinc/81/59/28/398815928.db2.gz XRWDPKJAGCHXBR-HOTGVXAUSA-N 1 1 307.369 2.840 20 5 DFBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594522066 398815929 /nfs/dbraw/zinc/81/59/29/398815929.db2.gz XRWDPKJAGCHXBR-HOTGVXAUSA-N 1 1 307.369 2.840 20 5 DFBDMO COc1ccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594522486 398816311 /nfs/dbraw/zinc/81/63/11/398816311.db2.gz YQLIJVUAHVAAKT-HUUCEWRRSA-N 1 1 319.405 2.710 20 5 DFBDMO COc1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594522486 398816312 /nfs/dbraw/zinc/81/63/12/398816312.db2.gz YQLIJVUAHVAAKT-HUUCEWRRSA-N 1 1 319.405 2.710 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCCn2ccnc2)C2CC2)cc1 ZINC000179650171 199070474 /nfs/dbraw/zinc/07/04/74/199070474.db2.gz IIPKLZMPQLZCTL-UHFFFAOYSA-N 1 1 300.362 2.846 20 5 DFBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000598464978 398817176 /nfs/dbraw/zinc/81/71/76/398817176.db2.gz AHZDFWSJLIAYPT-UHFFFAOYSA-N 1 1 307.394 2.753 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000051996814 398828924 /nfs/dbraw/zinc/82/89/24/398828924.db2.gz QFWCPQXFNWVABR-JKSUJKDBSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000051996814 398828928 /nfs/dbraw/zinc/82/89/28/398828928.db2.gz QFWCPQXFNWVABR-JKSUJKDBSA-N 1 1 306.362 2.617 20 5 DFBDMO C[N@@H+](Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCCCC1 ZINC000594639802 398835430 /nfs/dbraw/zinc/83/54/30/398835430.db2.gz CQEBUMWUVMFTSR-UHFFFAOYSA-N 1 1 315.377 2.940 20 5 DFBDMO C[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180190597 199128596 /nfs/dbraw/zinc/12/85/96/199128596.db2.gz VILWYQNIFOMVNW-MRXNPFEDSA-N 1 1 302.330 2.812 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000076177516 398845835 /nfs/dbraw/zinc/84/58/35/398845835.db2.gz FSJCBKKSVUZCKA-UHFFFAOYSA-N 1 1 320.389 2.866 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598647135 398846968 /nfs/dbraw/zinc/84/69/68/398846968.db2.gz BWWXKTTXJCMLQE-ZFWWWQNUSA-N 1 1 322.405 2.832 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000052863061 398853692 /nfs/dbraw/zinc/85/36/92/398853692.db2.gz HGRBSPASZCTZFA-LLVKDONJSA-N 1 1 308.363 2.727 20 5 DFBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000052863061 398853695 /nfs/dbraw/zinc/85/36/95/398853695.db2.gz HGRBSPASZCTZFA-LLVKDONJSA-N 1 1 308.363 2.727 20 5 DFBDMO CCOC(=O)c1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000467780196 299274614 /nfs/dbraw/zinc/27/46/14/299274614.db2.gz MHDVFXWTTBBTLM-AAEUAGOBSA-N 1 1 321.377 2.666 20 5 DFBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000076693966 398866004 /nfs/dbraw/zinc/86/60/04/398866004.db2.gz KGMVTALKZLYPJU-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO CC(C)[N@@H+](CCNc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000076924733 398875662 /nfs/dbraw/zinc/87/56/62/398875662.db2.gz CZDYVNDZFYRVKI-UHFFFAOYSA-N 1 1 309.395 2.589 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000137653665 398876443 /nfs/dbraw/zinc/87/64/43/398876443.db2.gz AKESCMQAQJPXHR-GFCCVEGCSA-N 1 1 323.784 2.697 20 5 DFBDMO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccnc2N2CCCC2)c1 ZINC000594955890 398880816 /nfs/dbraw/zinc/88/08/16/398880816.db2.gz COQHUXWZRBVJNU-UHFFFAOYSA-N 1 1 312.373 2.880 20 5 DFBDMO CCCCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000180802828 199210948 /nfs/dbraw/zinc/21/09/48/199210948.db2.gz QPNPHIOCNQJMID-VQHVLOKHSA-N 1 1 305.378 2.586 20 5 DFBDMO CCCCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(N)=O ZINC000180802828 199210950 /nfs/dbraw/zinc/21/09/50/199210950.db2.gz QPNPHIOCNQJMID-VQHVLOKHSA-N 1 1 305.378 2.586 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[N@@H+](C)C(C)C ZINC000595004433 398889264 /nfs/dbraw/zinc/88/92/64/398889264.db2.gz RLIDLCHVZVZVHE-ZDUSSCGKSA-N 1 1 309.410 2.984 20 5 DFBDMO C[C@H](O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000595006401 398890076 /nfs/dbraw/zinc/89/00/76/398890076.db2.gz JQCLAOBWIYMMGF-ZBEGNZNMSA-N 1 1 304.321 2.946 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000595013635 398892018 /nfs/dbraw/zinc/89/20/18/398892018.db2.gz QMZRULQYIIZFBU-VBNZEHGJSA-N 1 1 319.405 2.881 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000595015977 398892495 /nfs/dbraw/zinc/89/24/95/398892495.db2.gz FRXKYJPOWWSUBW-OLZOCXBDSA-N 1 1 307.394 2.596 20 5 DFBDMO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019508 398893360 /nfs/dbraw/zinc/89/33/60/398893360.db2.gz XCYPVBULHVBBQV-STQMWFEESA-N 1 1 307.394 2.738 20 5 DFBDMO CC[N@H+]1CCC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019508 398893367 /nfs/dbraw/zinc/89/33/67/398893367.db2.gz XCYPVBULHVBBQV-STQMWFEESA-N 1 1 307.394 2.738 20 5 DFBDMO COc1ccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598961772 398897574 /nfs/dbraw/zinc/89/75/74/398897574.db2.gz BJWSRYAVGHKBEH-CYBMUJFWSA-N 1 1 307.394 2.566 20 5 DFBDMO CCn1nncc1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000598988261 398904152 /nfs/dbraw/zinc/90/41/52/398904152.db2.gz XDPMKSDBFVVMAT-UHFFFAOYSA-N 1 1 303.366 2.619 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000598989477 398904178 /nfs/dbraw/zinc/90/41/78/398904178.db2.gz IPCLYUHFTFHJLO-GFCCVEGCSA-N 1 1 314.267 2.685 20 5 DFBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cs1 ZINC000598989715 398904192 /nfs/dbraw/zinc/90/41/92/398904192.db2.gz RKCDCIKQZNISJZ-SECBINFHSA-N 1 1 320.296 2.746 20 5 DFBDMO COc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999964 398906469 /nfs/dbraw/zinc/90/64/69/398906469.db2.gz PJTPGYGZHXIWGC-HNNXBMFYSA-N 1 1 319.405 2.710 20 5 DFBDMO COc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999964 398906471 /nfs/dbraw/zinc/90/64/71/398906471.db2.gz PJTPGYGZHXIWGC-HNNXBMFYSA-N 1 1 319.405 2.710 20 5 DFBDMO CCC(F)(F)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599068895 398916309 /nfs/dbraw/zinc/91/63/09/398916309.db2.gz QHURABMUGAOLJZ-SNVBAGLBSA-N 1 1 315.320 2.947 20 5 DFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000054981081 398914940 /nfs/dbraw/zinc/91/49/40/398914940.db2.gz FNFVTYGJMRWMFD-WDEREUQCSA-N 1 1 323.422 2.836 20 5 DFBDMO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072044 398917192 /nfs/dbraw/zinc/91/71/92/398917192.db2.gz XAVNHBAFGGSLOE-BBRMVZONSA-N 1 1 303.406 2.904 20 5 DFBDMO C[N@H+]1CCCC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599072044 398917193 /nfs/dbraw/zinc/91/71/93/398917193.db2.gz XAVNHBAFGGSLOE-BBRMVZONSA-N 1 1 303.406 2.904 20 5 DFBDMO COCC[N@H+](CCc1ccccc1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595296308 398917740 /nfs/dbraw/zinc/91/77/40/398917740.db2.gz ABQXEBVJZDWLHX-UHFFFAOYSA-N 1 1 319.361 2.582 20 5 DFBDMO COCC[N@@H+](CCc1ccccc1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595296308 398917741 /nfs/dbraw/zinc/91/77/41/398917741.db2.gz ABQXEBVJZDWLHX-UHFFFAOYSA-N 1 1 319.361 2.582 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188079654 200190567 /nfs/dbraw/zinc/19/05/67/200190567.db2.gz BNTWLWOQLFRKTG-HOCLYGCPSA-N 1 1 318.398 2.864 20 5 DFBDMO CCOC(=O)CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595297906 398918948 /nfs/dbraw/zinc/91/89/48/398918948.db2.gz KMJJTXXEYOHMHD-UHFFFAOYSA-N 1 1 324.352 2.899 20 5 DFBDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595329354 398922999 /nfs/dbraw/zinc/92/29/99/398922999.db2.gz QZYWHMVMATYMCN-GFCCVEGCSA-N 1 1 317.345 2.889 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595323298 398922473 /nfs/dbraw/zinc/92/24/73/398922473.db2.gz MHKAPYXEDZNGBE-AWEZNQCLSA-N 1 1 317.345 2.935 20 5 DFBDMO Cc1noc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595323298 398922475 /nfs/dbraw/zinc/92/24/75/398922475.db2.gz MHKAPYXEDZNGBE-AWEZNQCLSA-N 1 1 317.345 2.935 20 5 DFBDMO Cc1noc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595327665 398922602 /nfs/dbraw/zinc/92/26/02/398922602.db2.gz QFDBKRRYQMWUBY-CQSZACIVSA-N 1 1 301.346 2.956 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595381076 398929903 /nfs/dbraw/zinc/92/99/03/398929903.db2.gz ITUPSLHMGZAIDX-CABCVRRESA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1noc(C[NH+]2CCC(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000595389530 398930922 /nfs/dbraw/zinc/93/09/22/398930922.db2.gz PHURYESWIZVXKX-UHFFFAOYSA-N 1 1 302.334 2.666 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO[C@@H]1CC1(F)F)C1CC1 ZINC000595388093 398930932 /nfs/dbraw/zinc/93/09/32/398930932.db2.gz UKFOMDCLQKQEDH-CQSZACIVSA-N 1 1 312.316 2.983 20 5 DFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCO[C@@H]1CC1(F)F)C1CC1 ZINC000595388093 398930933 /nfs/dbraw/zinc/93/09/33/398930933.db2.gz UKFOMDCLQKQEDH-CQSZACIVSA-N 1 1 312.316 2.983 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599165738 398932429 /nfs/dbraw/zinc/93/24/29/398932429.db2.gz RTJRODDFPXMUNT-ZDUSSCGKSA-N 1 1 307.398 2.548 20 5 DFBDMO Cn1cc(CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000153255624 398935207 /nfs/dbraw/zinc/93/52/07/398935207.db2.gz WAPRCUBMDCDFIN-UHFFFAOYSA-N 1 1 314.389 2.926 20 5 DFBDMO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000281230628 216170346 /nfs/dbraw/zinc/17/03/46/216170346.db2.gz CHKFJFSCKFLWAL-LBPRGKRZSA-N 1 1 305.334 2.737 20 5 DFBDMO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000281230628 216170349 /nfs/dbraw/zinc/17/03/49/216170349.db2.gz CHKFJFSCKFLWAL-LBPRGKRZSA-N 1 1 305.334 2.737 20 5 DFBDMO Cc1noc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429069 398936838 /nfs/dbraw/zinc/93/68/38/398936838.db2.gz BGYCWKJQXLPLSP-DGCLKSJQSA-N 1 1 322.409 2.634 20 5 DFBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCc2nccn2C1 ZINC000595444109 398939708 /nfs/dbraw/zinc/93/97/08/398939708.db2.gz KZGCBZZUKFYMDY-GFCCVEGCSA-N 1 1 318.352 2.625 20 5 DFBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1[N+](=O)[O-] ZINC000595470527 398945799 /nfs/dbraw/zinc/94/57/99/398945799.db2.gz ONNWDGHFNOETBX-YXCITZCRSA-N 1 1 323.393 2.653 20 5 DFBDMO CC(C)CNC(=O)CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595485236 398948379 /nfs/dbraw/zinc/94/83/79/398948379.db2.gz SOZVKRXUDKFRAJ-UHFFFAOYSA-N 1 1 321.421 2.622 20 5 DFBDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595504556 398951693 /nfs/dbraw/zinc/95/16/93/398951693.db2.gz GCDHRNGKCUKIPT-MRXNPFEDSA-N 1 1 310.369 2.964 20 5 DFBDMO Cn1cnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000595519741 398956210 /nfs/dbraw/zinc/95/62/10/398956210.db2.gz CADFTHHNKYIRQF-CQSZACIVSA-N 1 1 300.362 2.708 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078456151 398957540 /nfs/dbraw/zinc/95/75/40/398957540.db2.gz QRXRLAKNRIWOMX-LBPRGKRZSA-N 1 1 322.365 2.814 20 5 DFBDMO CC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000595535977 398959347 /nfs/dbraw/zinc/95/93/47/398959347.db2.gz LEDLPFHORQKEKN-ZDUSSCGKSA-N 1 1 307.394 2.520 20 5 DFBDMO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000193205799 201007241 /nfs/dbraw/zinc/00/72/41/201007241.db2.gz CQQYNRPTKUGSMU-UHFFFAOYSA-N 1 1 305.378 2.704 20 5 DFBDMO CC(C)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000193215212 201008469 /nfs/dbraw/zinc/00/84/69/201008469.db2.gz MABBIRXGBVXUKV-OAHLLOKOSA-N 1 1 322.405 2.845 20 5 DFBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000193622330 201089492 /nfs/dbraw/zinc/08/94/92/201089492.db2.gz GJPPNTNTMDMFSZ-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@H]2C1 ZINC000193622330 201089496 /nfs/dbraw/zinc/08/94/96/201089496.db2.gz GJPPNTNTMDMFSZ-LBPRGKRZSA-N 1 1 323.780 2.559 20 5 DFBDMO Cc1cnc(N2CCC[N@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000078665758 398977655 /nfs/dbraw/zinc/97/76/55/398977655.db2.gz UYJRBVOBQMTONO-UHFFFAOYSA-N 1 1 304.394 2.753 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595568493 398976832 /nfs/dbraw/zinc/97/68/32/398976832.db2.gz VQKYACBCLOKAEZ-XUJVJEKNSA-N 1 1 303.362 2.796 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595568493 398976837 /nfs/dbraw/zinc/97/68/37/398976837.db2.gz VQKYACBCLOKAEZ-XUJVJEKNSA-N 1 1 303.362 2.796 20 5 DFBDMO C[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194628610 201264817 /nfs/dbraw/zinc/26/48/17/201264817.db2.gz MIMRIMXRJZXAMA-UHFFFAOYSA-N 1 1 316.317 2.573 20 5 DFBDMO C[N@@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194628610 201264820 /nfs/dbraw/zinc/26/48/20/201264820.db2.gz MIMRIMXRJZXAMA-UHFFFAOYSA-N 1 1 316.317 2.573 20 5 DFBDMO CCOC(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000006491667 181346066 /nfs/dbraw/zinc/34/60/66/181346066.db2.gz NXQPERWAIDCMHO-ALCCZGGFSA-N 1 1 318.373 2.883 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595670590 399027592 /nfs/dbraw/zinc/02/75/92/399027592.db2.gz FILGNGDCVINWQT-IUODEOHRSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000618167997 399028975 /nfs/dbraw/zinc/02/89/75/399028975.db2.gz UEHJKGAROACRIQ-ZDUSSCGKSA-N 1 1 315.377 2.502 20 5 DFBDMO C[C@@H]1COC2(CCC2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595675807 399029271 /nfs/dbraw/zinc/02/92/71/399029271.db2.gz QUVFBRCJBJPVFZ-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO C[C@@H]1COC2(CCC2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000595675807 399029274 /nfs/dbraw/zinc/02/92/74/399029274.db2.gz QUVFBRCJBJPVFZ-CYBMUJFWSA-N 1 1 306.362 2.617 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000599619656 399030998 /nfs/dbraw/zinc/03/09/98/399030998.db2.gz NEFQCYFIDOWRJU-UHFFFAOYSA-N 1 1 324.384 2.863 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595680336 399032671 /nfs/dbraw/zinc/03/26/71/399032671.db2.gz ZMPRKHJDGDCHSY-SWLSCSKDSA-N 1 1 308.378 2.586 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595680337 399032863 /nfs/dbraw/zinc/03/28/63/399032863.db2.gz ZMPRKHJDGDCHSY-WFASDCNBSA-N 1 1 308.378 2.586 20 5 DFBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091855784 193117671 /nfs/dbraw/zinc/11/76/71/193117671.db2.gz SIZNCXGRBSWQQG-TVKHYIBRSA-N 1 1 320.414 2.814 20 5 DFBDMO C[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1CCO ZINC000595695446 399039091 /nfs/dbraw/zinc/03/90/91/399039091.db2.gz HSHIKFRXJJLPGN-MEBBXXQBSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1CCO ZINC000595695446 399039098 /nfs/dbraw/zinc/03/90/98/399039098.db2.gz HSHIKFRXJJLPGN-MEBBXXQBSA-N 1 1 314.332 2.856 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC000599649196 399043790 /nfs/dbraw/zinc/04/37/90/399043790.db2.gz YRHSWDWJEPUHRO-UHFFFAOYSA-N 1 1 314.341 2.738 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC000599649196 399043793 /nfs/dbraw/zinc/04/37/93/399043793.db2.gz YRHSWDWJEPUHRO-UHFFFAOYSA-N 1 1 314.341 2.738 20 5 DFBDMO C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595701115 399044679 /nfs/dbraw/zinc/04/46/79/399044679.db2.gz PWHFWUBJPCWGLG-RHSMWYFYSA-N 1 1 322.405 2.847 20 5 DFBDMO CN(C(=O)C[N@H+]1CCCC2(CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000599672088 399055039 /nfs/dbraw/zinc/05/50/39/399055039.db2.gz AIRRTWMTCOWJTB-UHFFFAOYSA-N 1 1 317.389 2.824 20 5 DFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CCF)C1 ZINC000595755262 399069914 /nfs/dbraw/zinc/06/99/14/399069914.db2.gz JXFTTXWQEKSDTI-CHWSQXEVSA-N 1 1 323.368 2.993 20 5 DFBDMO O=C(CC[N@H+]1CCC[C@@H](CCF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595754393 399070710 /nfs/dbraw/zinc/07/07/10/399070710.db2.gz ATSARXFRYBDGHE-ZDUSSCGKSA-N 1 1 323.368 2.995 20 5 DFBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000595780364 399080968 /nfs/dbraw/zinc/08/09/68/399080968.db2.gz JIBAIQVOTGXSPT-KGLIPLIRSA-N 1 1 308.378 2.863 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1 ZINC000249546326 202804576 /nfs/dbraw/zinc/80/45/76/202804576.db2.gz GIMNFOSQMBSFOA-STQMWFEESA-N 1 1 324.427 2.926 20 5 DFBDMO COc1ccc(C[NH+]2CCC3(CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000595808135 399093842 /nfs/dbraw/zinc/09/38/42/399093842.db2.gz SYTOQHKHSXMSND-UHFFFAOYSA-N 1 1 318.373 2.939 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826970 399100956 /nfs/dbraw/zinc/10/09/56/399100956.db2.gz BNPRAPDDWDWBJC-HIFRSBDPSA-N 1 1 320.389 2.850 20 5 DFBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1O ZINC000339100357 284136954 /nfs/dbraw/zinc/13/69/54/284136954.db2.gz XIEHVQJEVTXNFL-TVQRCGJNSA-N 1 1 318.295 2.816 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1O ZINC000339100357 284136957 /nfs/dbraw/zinc/13/69/57/284136957.db2.gz XIEHVQJEVTXNFL-TVQRCGJNSA-N 1 1 318.295 2.816 20 5 DFBDMO COCCCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000419391048 296139296 /nfs/dbraw/zinc/13/92/96/296139296.db2.gz QNUGWIJSAUBQIB-UHFFFAOYSA-N 1 1 323.393 2.590 20 5 DFBDMO Cc1cccnc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000093159068 193209289 /nfs/dbraw/zinc/20/92/89/193209289.db2.gz CIOHULCJLLNTCU-UHFFFAOYSA-N 1 1 312.373 2.620 20 5 DFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000595873208 399118850 /nfs/dbraw/zinc/11/88/50/399118850.db2.gz YJOVXFITHWQBRT-HNNXBMFYSA-N 1 1 319.405 2.801 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1=CCSC1 ZINC000595888806 399124624 /nfs/dbraw/zinc/12/46/24/399124624.db2.gz OVNRLFFKMUNDSB-LLVKDONJSA-N 1 1 321.402 2.527 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1=CCSC1 ZINC000595888806 399124627 /nfs/dbraw/zinc/12/46/27/399124627.db2.gz OVNRLFFKMUNDSB-LLVKDONJSA-N 1 1 321.402 2.527 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331968759 284167704 /nfs/dbraw/zinc/16/77/04/284167704.db2.gz MQOHLIYZLKUNFE-BJJXKVORSA-N 1 1 318.373 2.901 20 5 DFBDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331968759 284167707 /nfs/dbraw/zinc/16/77/07/284167707.db2.gz MQOHLIYZLKUNFE-BJJXKVORSA-N 1 1 318.373 2.901 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1=CCSC1 ZINC000595895318 399126130 /nfs/dbraw/zinc/12/61/30/399126130.db2.gz IQNQSRIRNKGGMZ-UHFFFAOYSA-N 1 1 308.403 2.969 20 5 DFBDMO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900203 399127805 /nfs/dbraw/zinc/12/78/05/399127805.db2.gz ARZYQRRCTSMKCZ-AWEZNQCLSA-N 1 1 321.396 2.946 20 5 DFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCOC1 ZINC000093840419 193316284 /nfs/dbraw/zinc/31/62/84/193316284.db2.gz IRVRMXQTZUBQBR-SNVBAGLBSA-N 1 1 316.304 2.665 20 5 DFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CC1(C)C ZINC000595910291 399131516 /nfs/dbraw/zinc/13/15/16/399131516.db2.gz STVMGOUGDQMZEZ-NEPJUHHUSA-N 1 1 305.378 2.900 20 5 DFBDMO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000340901158 284216947 /nfs/dbraw/zinc/21/69/47/284216947.db2.gz ODOSSMDHFUEBIY-NEPJUHHUSA-N 1 1 307.394 2.939 20 5 DFBDMO C[C@]1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCS1 ZINC000600114776 399140247 /nfs/dbraw/zinc/14/02/47/399140247.db2.gz AXTIEQODGWYLTK-IUODEOHRSA-N 1 1 322.434 2.762 20 5 DFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000060722328 399142742 /nfs/dbraw/zinc/14/27/42/399142742.db2.gz SGHKBBCGTYGYGL-GXTWGEPZSA-N 1 1 323.780 2.605 20 5 DFBDMO Cc1c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000264635828 204045610 /nfs/dbraw/zinc/04/56/10/204045610.db2.gz WGPFNDKRQNOQLZ-QWHCGFSZSA-N 1 1 318.295 2.791 20 5 DFBDMO C[N@@H+](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCC1 ZINC000600819208 399154385 /nfs/dbraw/zinc/15/43/85/399154385.db2.gz AGEJUDAJACVFBO-UHFFFAOYSA-N 1 1 317.389 2.570 20 5 DFBDMO Cn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C(F)F)n1 ZINC000282477884 217025376 /nfs/dbraw/zinc/02/53/76/217025376.db2.gz OLOWSEXBEREXNV-UHFFFAOYSA-N 1 1 324.331 2.940 20 5 DFBDMO COc1cc(N(C)C[C@H]2CC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596113295 399178342 /nfs/dbraw/zinc/17/83/42/399178342.db2.gz TYVGOSAEZIKRRY-JTQLQIEISA-N 1 1 313.785 2.645 20 5 DFBDMO CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1CCC[N@@H+](C)C1 ZINC000266000031 205014149 /nfs/dbraw/zinc/01/41/49/205014149.db2.gz KLLMZYMZBDURDT-GFCCVEGCSA-N 1 1 300.362 2.673 20 5 DFBDMO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271706743 209142237 /nfs/dbraw/zinc/14/22/37/209142237.db2.gz IIWJJRRYMMIGDF-ZDUSSCGKSA-N 1 1 319.405 2.892 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000266033130 205044204 /nfs/dbraw/zinc/04/42/04/205044204.db2.gz SVRUXWIMYURXON-UHFFFAOYSA-N 1 1 320.389 2.996 20 5 DFBDMO CCN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1CC ZINC000614236481 399185395 /nfs/dbraw/zinc/18/53/95/399185395.db2.gz UWQCMPGRNWOSOZ-OAHLLOKOSA-N 1 1 321.421 2.780 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(O)c1 ZINC000080919464 399188462 /nfs/dbraw/zinc/18/84/62/399188462.db2.gz NHSLFICRIJPQAK-UHFFFAOYSA-N 1 1 302.330 2.811 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000266200010 205178984 /nfs/dbraw/zinc/17/89/84/205178984.db2.gz JBAKTRIPIDWEFF-ZDUSSCGKSA-N 1 1 307.394 2.772 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266256266 205219501 /nfs/dbraw/zinc/21/95/01/205219501.db2.gz OBFNDUGAQBNXJP-WFASDCNBSA-N 1 1 319.405 2.964 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000288384698 220123568 /nfs/dbraw/zinc/12/35/68/220123568.db2.gz JCMGMXMITHSXGB-LBPRGKRZSA-N 1 1 314.345 2.668 20 5 DFBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018182179 182097233 /nfs/dbraw/zinc/09/72/33/182097233.db2.gz SPBQZGVGQUNOPN-CYBMUJFWSA-N 1 1 320.393 2.981 20 5 DFBDMO Cn1ncc2c1CCC[C@@H]2Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601104097 399227639 /nfs/dbraw/zinc/22/76/39/399227639.db2.gz PEKWFKXKYFSRBH-HNNXBMFYSA-N 1 1 323.356 2.788 20 5 DFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601105698 399229033 /nfs/dbraw/zinc/22/90/33/399229033.db2.gz MIMXXRYVJLMRNG-SCRDCRAPSA-N 1 1 322.384 2.971 20 5 DFBDMO Cc1[nH+]ccn1CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267398682 206037278 /nfs/dbraw/zinc/03/72/78/206037278.db2.gz WXJTYCJDRFPRSR-UHFFFAOYSA-N 1 1 322.752 2.573 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N(CCCCO)C3CC3)c2c1 ZINC000601125498 399234200 /nfs/dbraw/zinc/23/42/00/399234200.db2.gz NMEUMSOTDSPJSF-UHFFFAOYSA-N 1 1 301.346 2.884 20 5 DFBDMO C[C@H](O)CC(C)(C)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601118749 399232871 /nfs/dbraw/zinc/23/28/71/399232871.db2.gz HBVMVJQGVNVXAW-NSHDSACASA-N 1 1 303.362 2.774 20 5 DFBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000601132108 399236781 /nfs/dbraw/zinc/23/67/81/399236781.db2.gz AMGMPZVSXYGTMX-RISCZKNCSA-N 1 1 320.368 2.582 20 5 DFBDMO CN(CC1(O)CCCC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601135080 399237496 /nfs/dbraw/zinc/23/74/96/399237496.db2.gz RPTVYHDILPECRH-UHFFFAOYSA-N 1 1 301.346 2.884 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(F)c1 ZINC000267458838 206081473 /nfs/dbraw/zinc/08/14/73/206081473.db2.gz UHYSPTKJHXZZAW-GFCCVEGCSA-N 1 1 304.325 2.837 20 5 DFBDMO COc1ccccc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149873 399241479 /nfs/dbraw/zinc/24/14/79/399241479.db2.gz RBHYESZMIMTRMT-KRWDZBQOSA-N 1 1 316.357 2.601 20 5 DFBDMO C[C@@](CO)([NH2+]Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601150359 399241488 /nfs/dbraw/zinc/24/14/88/399241488.db2.gz WFAXDJOBVORTRM-INIZCTEOSA-N 1 1 304.321 2.731 20 5 DFBDMO C[C@](CO)([NH2+]Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000601150506 399241534 /nfs/dbraw/zinc/24/15/34/399241534.db2.gz YOXUBFMGMMBZNE-MRXNPFEDSA-N 1 1 304.321 2.731 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](OC(F)F)C3)c2c1 ZINC000601161866 399244625 /nfs/dbraw/zinc/24/46/25/399244625.db2.gz VOVZXCDZOSATQV-JTQLQIEISA-N 1 1 309.272 2.961 20 5 DFBDMO Cc1nc(CCN(C)c2cc[nH+]c3ccc([N+](=O)[O-])cc32)no1 ZINC000601164601 399245640 /nfs/dbraw/zinc/24/56/40/399245640.db2.gz ZQSPPRZHIPJJQF-UHFFFAOYSA-N 1 1 313.317 2.513 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCC[C@H]3CCOC3)c2c1 ZINC000601171887 399246916 /nfs/dbraw/zinc/24/69/16/399246916.db2.gz QIRFSRGHDKWZET-LBPRGKRZSA-N 1 1 301.346 2.794 20 5 DFBDMO CCOc1cc(CN(C)C[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000421001890 296223117 /nfs/dbraw/zinc/22/31/17/296223117.db2.gz QEGRKGMQBGJPLB-CQSZACIVSA-N 1 1 307.394 2.520 20 5 DFBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)c2c(c1)COCO2 ZINC000614600513 399251545 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399499504 /nfs/dbraw/zinc/49/95/04/399499504.db2.gz KAPKOSZQWFPSFF-LBPRGKRZSA-N 1 1 301.350 2.793 20 5 DFBDMO CC(=O)N1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347361494 285014419 /nfs/dbraw/zinc/01/44/19/285014419.db2.gz OZAUIFCOBZXYEY-SDNWHVSQSA-N 1 1 317.389 2.552 20 5 DFBDMO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c21 ZINC000347401349 285034192 /nfs/dbraw/zinc/03/41/92/285034192.db2.gz CUZLAEIEMPLALP-VXGBXAGGSA-N 1 1 313.361 2.577 20 5 DFBDMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687005 399520471 /nfs/dbraw/zinc/52/04/71/399520471.db2.gz UEIHVHMCUXKKLU-BXKDBHETSA-N 1 1 318.295 2.816 20 5 DFBDMO CO[C@]1(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCOC1 ZINC000602684629 399518989 /nfs/dbraw/zinc/51/89/89/399518989.db2.gz ICTBEGWYYGLWRP-WBVHZDCISA-N 1 1 320.389 2.580 20 5 DFBDMO COc1cc(NCC[N@@H+]2CC=C(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000302158838 533029550 /nfs/dbraw/zinc/02/95/50/533029550.db2.gz OQEKFPQLYGAJDC-UHFFFAOYSA-N 1 1 309.341 2.806 20 5 DFBDMO O=[N+]([O-])c1c(F)cccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301333250 285077103 /nfs/dbraw/zinc/07/71/03/285077103.db2.gz FIXGSKGZAUPMIZ-OUCADQQQSA-N 1 1 305.353 2.654 20 5 DFBDMO CC1([NH+]2CCCC2)CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000602731672 399545910 /nfs/dbraw/zinc/54/59/10/399545910.db2.gz ALBSIGCRMPJLNT-UHFFFAOYSA-N 1 1 319.405 2.751 20 5 DFBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000288661956 220331821 /nfs/dbraw/zinc/33/18/21/220331821.db2.gz BSZNUZFFAIDUGP-KRWDZBQOSA-N 1 1 322.405 2.978 20 5 DFBDMO COc1ccc([C@H](C)[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602756843 399558570 /nfs/dbraw/zinc/55/85/70/399558570.db2.gz ALIHKXGAUIMMTP-LBPRGKRZSA-N 1 1 318.377 2.801 20 5 DFBDMO CC(C)[N@@H+](CCc1cnccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602762245 399559973 /nfs/dbraw/zinc/55/99/73/399559973.db2.gz DADOWBRJSCEMHN-UHFFFAOYSA-N 1 1 300.362 2.838 20 5 DFBDMO Cc1csc([C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])n1 ZINC000602770477 399565107 /nfs/dbraw/zinc/56/51/07/399565107.db2.gz SGRQQFGOGMYCCM-LBPRGKRZSA-N 1 1 321.406 2.702 20 5 DFBDMO Cc1csc([C@@H]2CCC[N@H+]2CCn2c(C)ncc2[N+](=O)[O-])n1 ZINC000602770477 399565112 /nfs/dbraw/zinc/56/51/12/399565112.db2.gz SGRQQFGOGMYCCM-LBPRGKRZSA-N 1 1 321.406 2.702 20 5 DFBDMO O=[N+]([O-])c1ccc2c(c1N1CCC[C@H](c3[nH]cc[nH+]3)C1)CCN2 ZINC000278163158 285146242 /nfs/dbraw/zinc/14/62/42/285146242.db2.gz CFPVCDULDQLVMU-NSHDSACASA-N 1 1 313.361 2.670 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000602779364 399569166 /nfs/dbraw/zinc/56/91/66/399569166.db2.gz FZTROSRVNVTZRV-GFCCVEGCSA-N 1 1 300.362 2.547 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000602777037 399568934 /nfs/dbraw/zinc/56/89/34/399568934.db2.gz IOCJTCGMESSLJR-CQSZACIVSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000602777037 399568941 /nfs/dbraw/zinc/56/89/41/399568941.db2.gz IOCJTCGMESSLJR-CQSZACIVSA-N 1 1 304.325 2.686 20 5 DFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000602783118 399572005 /nfs/dbraw/zinc/57/20/05/399572005.db2.gz YQQQHKLARPSVPX-CJNGLKHVSA-N 1 1 314.389 2.978 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000157728860 197211270 /nfs/dbraw/zinc/21/12/70/197211270.db2.gz VHQNHWOKQOBKMN-UHFFFAOYSA-N 1 1 304.325 2.595 20 5 DFBDMO Cc1cc(C)c(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000602799666 399580248 /nfs/dbraw/zinc/58/02/48/399580248.db2.gz CNBPSQDRKRNJJN-UHFFFAOYSA-N 1 1 312.373 2.868 20 5 DFBDMO Cc1cc(C)c(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000602799666 399580250 /nfs/dbraw/zinc/58/02/50/399580250.db2.gz CNBPSQDRKRNJJN-UHFFFAOYSA-N 1 1 312.373 2.868 20 5 DFBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000157409796 197185747 /nfs/dbraw/zinc/18/57/47/197185747.db2.gz POTVSSJBAQRQLS-UHFFFAOYSA-N 1 1 307.375 2.605 20 5 DFBDMO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602803013 399580760 /nfs/dbraw/zinc/58/07/60/399580760.db2.gz UUILWOCEODAACC-LBPRGKRZSA-N 1 1 318.377 2.966 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)c(F)c1 ZINC000612131295 399589550 /nfs/dbraw/zinc/58/95/50/399589550.db2.gz SMRDDNFGBZSQML-AWEZNQCLSA-N 1 1 308.353 2.982 20 5 DFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCc3cnccn3)C2)cc1 ZINC000602843983 399599030 /nfs/dbraw/zinc/59/90/30/399599030.db2.gz ZQZOBUKXMPJEEJ-OAHLLOKOSA-N 1 1 312.373 2.807 20 5 DFBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156071929 197084500 /nfs/dbraw/zinc/08/45/00/197084500.db2.gz NHUSREOEFKFDEM-ZDUSSCGKSA-N 1 1 320.393 2.709 20 5 DFBDMO CC[N@@H+]1[C@H](C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000602874023 399611090 /nfs/dbraw/zinc/61/10/90/399611090.db2.gz MXHRTHISBVSLPR-TXEJJXNPSA-N 1 1 318.377 2.651 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC000602877658 399612094 /nfs/dbraw/zinc/61/20/94/399612094.db2.gz IPWJSZLJAVEBRJ-UHFFFAOYSA-N 1 1 319.405 2.521 20 5 DFBDMO C[N@@H+](CCC1CCOCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000120514531 195181985 /nfs/dbraw/zinc/18/19/85/195181985.db2.gz MYJJGEYZNGDWQJ-UHFFFAOYSA-N 1 1 319.361 2.985 20 5 DFBDMO C[C@H](c1cccnc1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271598641 209047399 /nfs/dbraw/zinc/04/73/99/209047399.db2.gz UWAXVCRXDDTJIM-MLGOLLRUSA-N 1 1 301.346 2.716 20 5 DFBDMO C[N@@H+]1CC=C(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289767112 221212876 /nfs/dbraw/zinc/21/28/76/221212876.db2.gz SBWIFGXTDAUQAB-UHFFFAOYSA-N 1 1 324.768 2.632 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000602950985 399637762 /nfs/dbraw/zinc/63/77/62/399637762.db2.gz SBJFVJYMRZNPNM-UHFFFAOYSA-N 1 1 320.393 2.770 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000602997266 399654707 /nfs/dbraw/zinc/65/47/07/399654707.db2.gz GROANOISUPWCGJ-YCPHGPKFSA-N 1 1 320.389 2.729 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)C[C@@H]1C1CC1 ZINC000602974505 399644381 /nfs/dbraw/zinc/64/43/81/399644381.db2.gz PFSLRUFHFPONNQ-JKSUJKDBSA-N 1 1 320.389 2.727 20 5 DFBDMO COc1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000612586693 399683520 /nfs/dbraw/zinc/68/35/20/399683520.db2.gz CAULDZXXGYQJPK-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000612586693 399683521 /nfs/dbraw/zinc/68/35/21/399683521.db2.gz CAULDZXXGYQJPK-UHFFFAOYSA-N 1 1 301.346 2.939 20 5 DFBDMO C[S@](=O)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000121821967 195355692 /nfs/dbraw/zinc/35/56/92/195355692.db2.gz AOYPUCFXYJYGRT-OPAMFIHVSA-N 1 1 318.398 2.804 20 5 DFBDMO Cc1cc(N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)ccc1[N+](=O)[O-] ZINC000603396193 399764723 /nfs/dbraw/zinc/76/47/23/399764723.db2.gz HIWIYYVKRMCRAN-HOTGVXAUSA-N 1 1 319.405 2.814 20 5 DFBDMO CCC[N@@H+](CC)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617742722 399785677 /nfs/dbraw/zinc/78/56/77/399785677.db2.gz VMSCNTBIVARQMX-ZDUSSCGKSA-N 1 1 307.394 2.546 20 5 DFBDMO O=[N+]([O-])c1ncccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000603836926 399807604 /nfs/dbraw/zinc/80/76/04/399807604.db2.gz IYCIILAIELWWJI-VMPITWQZSA-N 1 1 324.384 2.825 20 5 DFBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272492144 542967815 /nfs/dbraw/zinc/96/78/15/542967815.db2.gz DYDHDNCIACWFPT-KBPBESRZSA-N 1 1 300.362 2.806 20 5 DFBDMO Cc1cccc(NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)[nH+]1 ZINC000301295051 543046024 /nfs/dbraw/zinc/04/60/24/543046024.db2.gz OVJFSUGVGAHPOD-UHFFFAOYSA-N 1 1 313.361 2.774 20 5 DFBDMO CC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000613297216 399843378 /nfs/dbraw/zinc/84/33/78/399843378.db2.gz QKQNNWYFUXMQPR-CYBMUJFWSA-N 1 1 320.393 2.770 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000072896941 145192121 /nfs/dbraw/zinc/19/21/21/145192121.db2.gz SERXLNWZNRTMSB-AAEUAGOBSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000172858319 145321500 /nfs/dbraw/zinc/32/15/00/145321500.db2.gz VCSKNIATIRKVHT-QWHCGFSZSA-N 1 1 317.389 2.604 20 5 DFBDMO C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Br ZINC000226098066 146004042 /nfs/dbraw/zinc/00/40/42/146004042.db2.gz RQUBBPVJRNRZTI-JTQLQIEISA-N 1 1 314.183 2.863 20 5 DFBDMO COc1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000237435501 146042829 /nfs/dbraw/zinc/04/28/29/146042829.db2.gz CJUFKTSJBYLLFA-UHFFFAOYSA-N 1 1 316.313 2.622 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427699 146069492 /nfs/dbraw/zinc/06/94/92/146069492.db2.gz MCFIHFFWUABDSY-BBRMVZONSA-N 1 1 321.421 2.766 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245534662 146080660 /nfs/dbraw/zinc/08/06/60/146080660.db2.gz WEEVFMMIGDYVDV-WBMJQRKESA-N 1 1 306.362 2.849 20 5 DFBDMO Cc1cc(N2CCC(C[NH3+])CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000262054330 146328880 /nfs/dbraw/zinc/32/88/80/146328880.db2.gz DCUCRCDAXOULDL-UHFFFAOYSA-N 1 1 300.362 2.627 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354383660 147017128 /nfs/dbraw/zinc/01/71/28/147017128.db2.gz AXSKLBWAYJZWSE-DZGCQCFKSA-N 1 1 319.405 2.848 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000354383664 147017195 /nfs/dbraw/zinc/01/71/95/147017195.db2.gz AXSKLBWAYJZWSE-HIFRSBDPSA-N 1 1 319.405 2.848 20 5 DFBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000354508429 147062215 /nfs/dbraw/zinc/06/22/15/147062215.db2.gz NLCQFKJSHGVBGV-TZMCWYRMSA-N 1 1 313.361 2.632 20 5 DFBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC(O)C1 ZINC000355359861 147283711 /nfs/dbraw/zinc/28/37/11/147283711.db2.gz CVTPSIVPVWFYHR-UHFFFAOYSA-N 1 1 302.330 2.810 20 5 DFBDMO Cc1cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000355415137 147306812 /nfs/dbraw/zinc/30/68/12/147306812.db2.gz GCPSPFNDHZFPEX-UHFFFAOYSA-N 1 1 314.276 2.942 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000358268487 148312857 /nfs/dbraw/zinc/31/28/57/148312857.db2.gz SZRPGZQBFRCNEF-INIZCTEOSA-N 1 1 314.389 2.889 20 5 DFBDMO CC[N@@H+](CC1CCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361482013 149126600 /nfs/dbraw/zinc/12/66/00/149126600.db2.gz SYMFCKGAGHUKND-MRXNPFEDSA-N 1 1 317.389 2.822 20 5 DFBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCOC1 ZINC000361589345 149159739 /nfs/dbraw/zinc/15/97/39/149159739.db2.gz PGJGQHRTUJAAIW-OAHLLOKOSA-N 1 1 308.378 2.993 20 5 DFBDMO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCOC1 ZINC000361589345 149159742 /nfs/dbraw/zinc/15/97/42/149159742.db2.gz PGJGQHRTUJAAIW-OAHLLOKOSA-N 1 1 308.378 2.993 20 5 DFBDMO Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000361652148 149180270 /nfs/dbraw/zinc/18/02/70/149180270.db2.gz HUIUKXXQKFUYER-UONOGXRCSA-N 1 1 318.377 2.652 20 5 DFBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1CO ZINC000361655308 149181982 /nfs/dbraw/zinc/18/19/82/149181982.db2.gz OXQDTALIEPHGTA-TZMCWYRMSA-N 1 1 316.357 2.915 20 5 DFBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000362053540 149285722 /nfs/dbraw/zinc/28/57/22/149285722.db2.gz QTPSTCYONXYPJK-QGZVFWFLSA-N 1 1 316.332 2.658 20 5 DFBDMO Cc1c(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000362577413 149314223 /nfs/dbraw/zinc/31/42/23/149314223.db2.gz AOWXRVHQVQFPPU-GFCCVEGCSA-N 1 1 307.394 2.638 20 5 DFBDMO Cc1c(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000362577413 149314226 /nfs/dbraw/zinc/31/42/26/149314226.db2.gz AOWXRVHQVQFPPU-GFCCVEGCSA-N 1 1 307.394 2.638 20 5 DFBDMO COc1ccc(CNc2[nH]c3ccc(F)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000362640372 149330680 /nfs/dbraw/zinc/33/06/80/149330680.db2.gz AXFJNYSBYCGKDS-UHFFFAOYSA-N 1 1 316.292 2.653 20 5 DFBDMO COC[C@H]1CCCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000368764071 149695582 /nfs/dbraw/zinc/69/55/82/149695582.db2.gz YADOOWYDNWHGIL-AWEZNQCLSA-N 1 1 308.378 2.722 20 5 DFBDMO COc1ccc(C[N@H+]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000371337867 150027286 /nfs/dbraw/zinc/02/72/86/150027286.db2.gz ZQSQHAZGWGQXRR-UHFFFAOYSA-N 1 1 306.362 2.748 20 5 DFBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371368137 150031820 /nfs/dbraw/zinc/03/18/20/150031820.db2.gz CODWSJKTEICASE-MRXNPFEDSA-N 1 1 311.341 2.511 20 5 DFBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371368137 150031822 /nfs/dbraw/zinc/03/18/22/150031822.db2.gz CODWSJKTEICASE-MRXNPFEDSA-N 1 1 311.341 2.511 20 5 DFBDMO CO[C@@H](C)C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000371699558 150082586 /nfs/dbraw/zinc/08/25/86/150082586.db2.gz HXMPLZABOIKELG-LBPRGKRZSA-N 1 1 305.378 2.609 20 5 DFBDMO Cc1ccc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000371749069 150089875 /nfs/dbraw/zinc/08/98/75/150089875.db2.gz XVNHBTFXKZMVBI-HNNXBMFYSA-N 1 1 300.362 2.589 20 5 DFBDMO COCC[C@H]1CCCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372088622 150135923 /nfs/dbraw/zinc/13/59/23/150135923.db2.gz NWUOCVPEBDLJDC-RHSMWYFYSA-N 1 1 322.405 2.767 20 5 DFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000372356268 150166236 /nfs/dbraw/zinc/16/62/36/150166236.db2.gz IGRGYMVKPAYNKZ-DLBZAZTESA-N 1 1 320.389 2.519 20 5 DFBDMO Cc1ncccc1O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000372813241 150188662 /nfs/dbraw/zinc/18/86/62/150188662.db2.gz FEPCIGWDBLFFEW-INIZCTEOSA-N 1 1 313.357 2.952 20 5 DFBDMO CN(C[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000373046024 150221252 /nfs/dbraw/zinc/22/12/52/150221252.db2.gz LSMBJGBVTROLHO-LLVKDONJSA-N 1 1 304.325 2.629 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000373094885 150229632 /nfs/dbraw/zinc/22/96/32/150229632.db2.gz LTWYWYKURPIXQC-UHFFFAOYSA-N 1 1 319.361 2.560 20 5 DFBDMO COc1ccc(NC(=O)C[N@H+]2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000373094885 150229634 /nfs/dbraw/zinc/22/96/34/150229634.db2.gz LTWYWYKURPIXQC-UHFFFAOYSA-N 1 1 319.361 2.560 20 5 DFBDMO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC12CCC2 ZINC000373183168 150242452 /nfs/dbraw/zinc/24/24/52/150242452.db2.gz OLBAGIQHEAMHNE-CYBMUJFWSA-N 1 1 322.336 2.509 20 5 DFBDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC12CCC2 ZINC000373183168 150242453 /nfs/dbraw/zinc/24/24/53/150242453.db2.gz OLBAGIQHEAMHNE-CYBMUJFWSA-N 1 1 322.336 2.509 20 5 DFBDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC12CCC2 ZINC000373183169 150242902 /nfs/dbraw/zinc/24/29/02/150242902.db2.gz OLBAGIQHEAMHNE-ZDUSSCGKSA-N 1 1 322.336 2.509 20 5 DFBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC12CCC2 ZINC000373183169 150242904 /nfs/dbraw/zinc/24/29/04/150242904.db2.gz OLBAGIQHEAMHNE-ZDUSSCGKSA-N 1 1 322.336 2.509 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000373773321 150256421 /nfs/dbraw/zinc/25/64/21/150256421.db2.gz UFFUDSBIGRDGJO-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000373773321 150256424 /nfs/dbraw/zinc/25/64/24/150256424.db2.gz UFFUDSBIGRDGJO-UHFFFAOYSA-N 1 1 306.362 2.606 20 5 DFBDMO COc1cc(C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351632277 286176057 /nfs/dbraw/zinc/17/60/57/286176057.db2.gz WZIRLXULXBGZMV-GXTWGEPZSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000374054204 150299057 /nfs/dbraw/zinc/29/90/57/150299057.db2.gz NGXDXMGRCNVZRT-ZDUSSCGKSA-N 1 1 308.378 2.588 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCCn3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000374417594 150363373 /nfs/dbraw/zinc/36/33/73/150363373.db2.gz COXCBYOWUOVLMR-JTQLQIEISA-N 1 1 317.305 2.689 20 5 DFBDMO CC1=C(c2ccco2)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000374532270 150374667 /nfs/dbraw/zinc/37/46/67/150374667.db2.gz VHVYVROUTZZVLV-UHFFFAOYSA-N 1 1 302.334 2.564 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c(F)c1 ZINC000351881550 286236299 /nfs/dbraw/zinc/23/62/99/286236299.db2.gz NCYNECCJZIWCMB-ZUZCIYMTSA-N 1 1 312.316 2.874 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(F)c1 ZINC000351881550 286236302 /nfs/dbraw/zinc/23/63/02/286236302.db2.gz NCYNECCJZIWCMB-ZUZCIYMTSA-N 1 1 312.316 2.874 20 5 DFBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1[C@@H]1CCCO1 ZINC000351958040 286255553 /nfs/dbraw/zinc/25/55/53/286255553.db2.gz LYXFVSPNHAXUIK-HOTGVXAUSA-N 1 1 320.389 2.863 20 5 DFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352408979 286366240 /nfs/dbraw/zinc/36/62/40/286366240.db2.gz XENIFNNLZJNVSU-IQMDTDKHSA-N 1 1 314.332 2.854 20 5 DFBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352408979 286366241 /nfs/dbraw/zinc/36/62/41/286366241.db2.gz XENIFNNLZJNVSU-IQMDTDKHSA-N 1 1 314.332 2.854 20 5 DFBDMO CSCCC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000439481100 297127941 /nfs/dbraw/zinc/12/79/41/297127941.db2.gz HFAMFWPGPYYGCL-UHFFFAOYSA-N 1 1 311.407 2.527 20 5 DFBDMO CSCCC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000439481100 297127942 /nfs/dbraw/zinc/12/79/42/297127942.db2.gz HFAMFWPGPYYGCL-UHFFFAOYSA-N 1 1 311.407 2.527 20 5 DFBDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(N)ccc2[N+](=O)[O-])cn1 ZINC000193391141 158077644 /nfs/dbraw/zinc/07/76/44/158077644.db2.gz ADYDVXXHMJFBHE-UHFFFAOYSA-N 1 1 324.344 2.678 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247998285 158156293 /nfs/dbraw/zinc/15/62/93/158156293.db2.gz KCOLMTCCXLFQSB-CZUORRHYSA-N 1 1 319.405 2.520 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000248611626 158189416 /nfs/dbraw/zinc/18/94/16/158189416.db2.gz GPJXPUYIOXQPCS-XHDPSFHLSA-N 1 1 324.352 2.743 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000248611626 158189420 /nfs/dbraw/zinc/18/94/20/158189420.db2.gz GPJXPUYIOXQPCS-XHDPSFHLSA-N 1 1 324.352 2.743 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248747803 158200698 /nfs/dbraw/zinc/20/06/98/158200698.db2.gz BIFZJEJWRXAFJC-WFASDCNBSA-N 1 1 321.333 2.504 20 5 DFBDMO CC[N@@H+](CCC1CC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000355038870 158258102 /nfs/dbraw/zinc/25/81/02/158258102.db2.gz NEPIFNCGETUFHQ-UHFFFAOYSA-N 1 1 317.389 2.606 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1ccccn1 ZINC000356964739 158333979 /nfs/dbraw/zinc/33/39/79/158333979.db2.gz QODWDTOTYVQAII-GFCCVEGCSA-N 1 1 314.345 2.588 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C1CCC1 ZINC000357047425 158356631 /nfs/dbraw/zinc/35/66/31/158356631.db2.gz WAAQIUPXTXCRBA-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO C[C@H](O)C[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130757248 196107420 /nfs/dbraw/zinc/10/74/20/196107420.db2.gz HNNARZAFPYHXNS-JTQLQIEISA-N 1 1 307.375 2.531 20 5 DFBDMO C[C@H](O)C[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130757248 196107422 /nfs/dbraw/zinc/10/74/22/196107422.db2.gz HNNARZAFPYHXNS-JTQLQIEISA-N 1 1 307.375 2.531 20 5 DFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000132309720 196244592 /nfs/dbraw/zinc/24/45/92/196244592.db2.gz MWKWMYADCCBWIC-UHFFFAOYSA-N 1 1 301.346 2.891 20 5 DFBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000054779409 425891324 /nfs/dbraw/zinc/89/13/24/425891324.db2.gz CUOACFFTVDJHKV-RYUDHWBXSA-N 1 1 323.368 2.584 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000301178588 229547991 /nfs/dbraw/zinc/54/79/91/229547991.db2.gz GYCUEGACLCEQKJ-CHWSQXEVSA-N 1 1 322.409 2.598 20 5 DFBDMO O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000302038751 230055928 /nfs/dbraw/zinc/05/59/28/230055928.db2.gz MYBHQFHPEUNMQM-OAHLLOKOSA-N 1 1 319.405 2.764 20 5 DFBDMO C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000302073071 230080146 /nfs/dbraw/zinc/08/01/46/230080146.db2.gz WONMNNXZCJDILH-CHWSQXEVSA-N 1 1 307.394 2.619 20 5 DFBDMO CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000067416038 425910510 /nfs/dbraw/zinc/91/05/10/425910510.db2.gz MEMGCAKPSGRHBF-TZMCWYRMSA-N 1 1 305.378 2.504 20 5 DFBDMO COc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000037562562 425848663 /nfs/dbraw/zinc/84/86/63/425848663.db2.gz PPJRYOFVXZKSMI-UHFFFAOYSA-N 1 1 308.359 2.963 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649005 425848889 /nfs/dbraw/zinc/84/88/89/425848889.db2.gz RKWPCQMNWOVIKN-NSHDSACASA-N 1 1 309.797 2.822 20 5 DFBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000047275838 425868910 /nfs/dbraw/zinc/86/89/10/425868910.db2.gz MTBNCOLXKNXCEX-UHFFFAOYSA-N 1 1 323.312 2.736 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000268146880 268182947 /nfs/dbraw/zinc/18/29/47/268182947.db2.gz GHOUKGJQSPBVPV-CQSZACIVSA-N 1 1 319.405 2.611 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1O ZINC000270861848 268227597 /nfs/dbraw/zinc/22/75/97/268227597.db2.gz IFURDXLXIJWDGS-DOMZBBRYSA-N 1 1 308.378 2.585 20 5 DFBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000271447287 268249533 /nfs/dbraw/zinc/24/95/33/268249533.db2.gz CJCHSMZHKXFNKQ-NWDGAFQWSA-N 1 1 321.377 2.805 20 5 DFBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000049844114 425880274 /nfs/dbraw/zinc/88/02/74/425880274.db2.gz HZGDAPHECRDVRS-SECBINFHSA-N 1 1 314.183 2.721 20 5 DFBDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000125178989 425957449 /nfs/dbraw/zinc/95/74/49/425957449.db2.gz DZMMBPBCNIMVDC-NEPJUHHUSA-N 1 1 305.378 2.704 20 5 DFBDMO CC(C)C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072492476 426017448 /nfs/dbraw/zinc/01/74/48/426017448.db2.gz SNFDUKMRHWQDDN-AWEZNQCLSA-N 1 1 319.405 2.926 20 5 DFBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[N@H+]1C ZINC000075860143 426088158 /nfs/dbraw/zinc/08/81/58/426088158.db2.gz VUAZYUOJRYGYNJ-OAHLLOKOSA-N 1 1 321.421 2.780 20 5 DFBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000077220988 426123233 /nfs/dbraw/zinc/12/32/33/426123233.db2.gz VZLQTLXFDNKJAO-UHFFFAOYSA-N 1 1 300.314 2.656 20 5 DFBDMO COCCC[N@@H+](C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000166760188 426128861 /nfs/dbraw/zinc/12/88/61/426128861.db2.gz WONIAGREQCVFMA-CQSZACIVSA-N 1 1 309.410 2.522 20 5 DFBDMO COCCC[N@@H+](C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000166760288 426129102 /nfs/dbraw/zinc/12/91/02/426129102.db2.gz WONIAGREQCVFMA-AWEZNQCLSA-N 1 1 309.410 2.522 20 5 DFBDMO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000077357445 426129547 /nfs/dbraw/zinc/12/95/47/426129547.db2.gz XTBHLMDSNHZZSF-UHFFFAOYSA-N 1 1 305.378 2.821 20 5 DFBDMO CC[C@H](NCC1([NH+](C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000168327238 426134754 /nfs/dbraw/zinc/13/47/54/426134754.db2.gz FIZWWSMZHHCVHZ-INIZCTEOSA-N 1 1 321.421 2.746 20 5 DFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075538752 426077444 /nfs/dbraw/zinc/07/74/44/426077444.db2.gz FHIQXTVXINACKQ-CYBMUJFWSA-N 1 1 320.393 2.790 20 5 DFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134944432 426201270 /nfs/dbraw/zinc/20/12/70/426201270.db2.gz XESWIEDZDWTJCG-GXFFZTMASA-N 1 1 323.780 2.557 20 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ZINC000176249878 426364523 /nfs/dbraw/zinc/36/45/23/426364523.db2.gz MSCNMZOUWRECNT-JSGCOSHPSA-N 1 1 318.352 2.808 20 5 DFBDMO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000153380876 426383009 /nfs/dbraw/zinc/38/30/09/426383009.db2.gz RPOJFPCQRHVGLV-GFCCVEGCSA-N 1 1 305.378 2.565 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122594883 426384344 /nfs/dbraw/zinc/38/43/44/426384344.db2.gz ISPDZGGQDJAQTD-CZUORRHYSA-N 1 1 319.405 2.706 20 5 DFBDMO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000122611054 426384981 /nfs/dbraw/zinc/38/49/81/426384981.db2.gz YFXCLFNPEZOGFE-VXGBXAGGSA-N 1 1 311.769 2.523 20 5 DFBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153862184 426410768 /nfs/dbraw/zinc/41/07/68/426410768.db2.gz MUFBHORROXOTES-NSHDSACASA-N 1 1 312.801 2.811 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000123073131 426413162 /nfs/dbraw/zinc/41/31/62/426413162.db2.gz 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Cc1ccc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000123549093 426439922 /nfs/dbraw/zinc/43/99/22/426439922.db2.gz CIQSVQNFLMYYRP-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000123549093 426439925 /nfs/dbraw/zinc/43/99/25/426439925.db2.gz CIQSVQNFLMYYRP-UHFFFAOYSA-N 1 1 319.405 2.594 20 5 DFBDMO COC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177073111 426441185 /nfs/dbraw/zinc/44/11/85/426441185.db2.gz NEQZTRXOHGWMBA-NSHDSACASA-N 1 1 305.334 2.594 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000177218674 426455620 /nfs/dbraw/zinc/45/56/20/426455620.db2.gz AFYQCDMAAPTDHR-GFCCVEGCSA-N 1 1 305.378 2.962 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000177429719 426478496 /nfs/dbraw/zinc/47/84/96/426478496.db2.gz DUSDYALCRGJXSN-AWEZNQCLSA-N 1 1 312.753 2.633 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000177429719 426478497 /nfs/dbraw/zinc/47/84/97/426478497.db2.gz DUSDYALCRGJXSN-AWEZNQCLSA-N 1 1 312.753 2.633 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280251239 426529115 /nfs/dbraw/zinc/52/91/15/426529115.db2.gz BZBSUOVWISBJFP-GRDNDAEWSA-N 1 1 320.389 2.844 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280251239 426529119 /nfs/dbraw/zinc/52/91/19/426529119.db2.gz BZBSUOVWISBJFP-GRDNDAEWSA-N 1 1 320.389 2.844 20 5 DFBDMO Cc1ccc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000280256321 426531109 /nfs/dbraw/zinc/53/11/09/426531109.db2.gz CELYVZKWPBCKET-OAHLLOKOSA-N 1 1 314.389 2.898 20 5 DFBDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000177531590 426493560 /nfs/dbraw/zinc/49/35/60/426493560.db2.gz ARJUMKFWTNGBDW-DZGCQCFKSA-N 1 1 300.362 2.669 20 5 DFBDMO Cc1cc(N2CCN(C3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272780076 426572311 /nfs/dbraw/zinc/57/23/11/426572311.db2.gz AFUNBEGWZWHZOF-UHFFFAOYSA-N 1 1 312.373 2.736 20 5 DFBDMO Cc1cccc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000273071499 426587427 /nfs/dbraw/zinc/58/74/27/426587427.db2.gz JLACMMVKYLHXND-HNNXBMFYSA-N 1 1 300.362 2.589 20 5 DFBDMO C[C@@H](O)c1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000289221267 426608295 /nfs/dbraw/zinc/60/82/95/426608295.db2.gz JHSNCSGIXKBOMV-NXEZZACHSA-N 1 1 307.375 2.955 20 5 DFBDMO CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273299889 426637042 /nfs/dbraw/zinc/63/70/42/426637042.db2.gz GXSAVUGQIKFPLH-CZUORRHYSA-N 1 1 322.405 2.845 20 5 DFBDMO Cc1cc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000187225656 426641598 /nfs/dbraw/zinc/64/15/98/426641598.db2.gz CIVLUKQLBLFYOM-CYBMUJFWSA-N 1 1 315.377 2.510 20 5 DFBDMO CC(C)[N@@H+](C)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000231629417 426650527 /nfs/dbraw/zinc/65/05/27/426650527.db2.gz FZQDDSBFERIRCN-UHFFFAOYSA-N 1 1 317.187 2.504 20 5 DFBDMO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000273359939 426651099 /nfs/dbraw/zinc/65/10/99/426651099.db2.gz DYXYWSVGKBTKRG-HZMBPMFUSA-N 1 1 324.356 2.584 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ncccc1N(C)C ZINC000289419187 426652747 /nfs/dbraw/zinc/65/27/47/426652747.db2.gz BFISPCHLXFBTAJ-UHFFFAOYSA-N 1 1 300.362 2.654 20 5 DFBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000265549590 426653538 /nfs/dbraw/zinc/65/35/38/426653538.db2.gz QHPGZHZNLCYXEW-SECBINFHSA-N 1 1 307.741 2.750 20 5 DFBDMO C[N@H+]1CCC[C@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234315318 426655359 /nfs/dbraw/zinc/65/53/59/426655359.db2.gz DMJBDISTSKOEPD-QMMMGPOBSA-N 1 1 304.272 2.515 20 5 DFBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000280842696 426667630 /nfs/dbraw/zinc/66/76/30/426667630.db2.gz XLWVKXKFWOGFRD-ZDUSSCGKSA-N 1 1 305.382 2.594 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000178730098 426685161 /nfs/dbraw/zinc/68/51/61/426685161.db2.gz UNVBKODUXFIOLM-JTQLQIEISA-N 1 1 305.309 2.988 20 5 DFBDMO CC(C)OCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000265857633 426701099 /nfs/dbraw/zinc/70/10/99/426701099.db2.gz JKSZWAOVVMYQSN-CYBMUJFWSA-N 1 1 323.393 2.669 20 5 DFBDMO COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504381 426779657 /nfs/dbraw/zinc/77/96/57/426779657.db2.gz PHATXFWXXSKABE-CABCVRRESA-N 1 1 319.405 2.520 20 5 DFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000245431985 426737664 /nfs/dbraw/zinc/73/76/64/426737664.db2.gz OKLQPZXGGKRBDN-ZBFHGGJFSA-N 1 1 319.405 2.662 20 5 DFBDMO CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266566872 426740246 /nfs/dbraw/zinc/74/02/46/426740246.db2.gz ZYNSFQWZRFEHKX-JSGCOSHPSA-N 1 1 305.378 2.504 20 5 DFBDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266942639 426800454 /nfs/dbraw/zinc/80/04/54/426800454.db2.gz QIDQBPCSLFGKMN-GDBMZVCRSA-N 1 1 314.389 2.744 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000290607348 426802847 /nfs/dbraw/zinc/80/28/47/426802847.db2.gz WHEJJFNEMHOEPP-WBVHZDCISA-N 1 1 303.406 2.819 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000290607348 426802850 /nfs/dbraw/zinc/80/28/50/426802850.db2.gz WHEJJFNEMHOEPP-WBVHZDCISA-N 1 1 303.406 2.819 20 5 DFBDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246458380 426835470 /nfs/dbraw/zinc/83/54/70/426835470.db2.gz MXECAUZICARAAN-UKRRQHHQSA-N 1 1 319.405 2.955 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295197886 426858347 /nfs/dbraw/zinc/85/83/47/426858347.db2.gz JUYOCSHSDSDJHP-OAHLLOKOSA-N 1 1 322.405 2.976 20 5 DFBDMO COc1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000282218184 426856172 /nfs/dbraw/zinc/85/61/72/426856172.db2.gz DUYDDPCXXAFPJI-CMPLNLGQSA-N 1 1 312.341 2.742 20 5 DFBDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000282218184 426856178 /nfs/dbraw/zinc/85/61/78/426856178.db2.gz DUYDDPCXXAFPJI-CMPLNLGQSA-N 1 1 312.341 2.742 20 5 DFBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000290857066 426856253 /nfs/dbraw/zinc/85/62/53/426856253.db2.gz YCGMELRPOYDXET-JQWIXIFHSA-N 1 1 303.362 2.835 20 5 DFBDMO Cn1cc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC000266910808 426794120 /nfs/dbraw/zinc/79/41/20/426794120.db2.gz CURPAVRFFIRJQT-NSHDSACASA-N 1 1 320.780 2.971 20 5 DFBDMO COC(=O)[C@]1(C)C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000282761231 426923422 /nfs/dbraw/zinc/92/34/22/426923422.db2.gz OGKKYYYVNOPDRR-XHBSWPGZSA-N 1 1 306.362 2.787 20 5 DFBDMO COc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000282322008 426881632 /nfs/dbraw/zinc/88/16/32/426881632.db2.gz ADFLQPFKQDRZIU-UHFFFAOYSA-N 1 1 301.346 2.673 20 5 DFBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000291472503 426891028 /nfs/dbraw/zinc/89/10/28/426891028.db2.gz FGQJKWJCQYKWJH-CYBMUJFWSA-N 1 1 307.394 2.753 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1F ZINC000282358883 426892074 /nfs/dbraw/zinc/89/20/74/426892074.db2.gz DAOUHWPLLLONFH-QGZVFWFLSA-N 1 1 318.348 2.942 20 5 DFBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000295526130 426993738 /nfs/dbraw/zinc/99/37/38/426993738.db2.gz PTUVXEGYFIFGJB-LBPRGKRZSA-N 1 1 319.361 2.719 20 5 DFBDMO CC[NH+](CC)Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000275999309 426962444 /nfs/dbraw/zinc/96/24/44/426962444.db2.gz AEMVJFDZDOOJLT-UHFFFAOYSA-N 1 1 304.350 2.719 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC2(CCCC2)C1 ZINC000181929951 426994924 /nfs/dbraw/zinc/99/49/24/426994924.db2.gz WZYDCXRARAKBID-AWEZNQCLSA-N 1 1 320.389 2.601 20 5 DFBDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283271970 426986768 /nfs/dbraw/zinc/98/67/68/426986768.db2.gz LILMUYGOZNISNF-NEPJUHHUSA-N 1 1 323.418 2.749 20 5 DFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247331663 426929066 /nfs/dbraw/zinc/92/90/66/426929066.db2.gz ISPDZGGQDJAQTD-XJKSGUPXSA-N 1 1 319.405 2.706 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)cc1F ZINC000283067048 426945116 /nfs/dbraw/zinc/94/51/16/426945116.db2.gz JWDGDCFCNHJDCM-CYBMUJFWSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccccn3)C2)cc1F ZINC000283067048 426945119 /nfs/dbraw/zinc/94/51/19/426945119.db2.gz JWDGDCFCNHJDCM-CYBMUJFWSA-N 1 1 317.320 2.782 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295407036 426945523 /nfs/dbraw/zinc/94/55/23/426945523.db2.gz BTVMATZLXRQFFL-QWHCGFSZSA-N 1 1 321.377 2.818 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295407036 426945530 /nfs/dbraw/zinc/94/55/30/426945530.db2.gz BTVMATZLXRQFFL-QWHCGFSZSA-N 1 1 321.377 2.818 20 5 DFBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248872995 427055573 /nfs/dbraw/zinc/05/55/73/427055573.db2.gz VHKAYGSPVPJZIL-BMFZPTHFSA-N 1 1 318.373 2.677 20 5 DFBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000248872995 427055578 /nfs/dbraw/zinc/05/55/78/427055578.db2.gz VHKAYGSPVPJZIL-BMFZPTHFSA-N 1 1 318.373 2.677 20 5 DFBDMO CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000291840778 427003192 /nfs/dbraw/zinc/00/31/92/427003192.db2.gz TXDNLJCOPUUTOE-MRXNPFEDSA-N 1 1 323.368 2.770 20 5 DFBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000190181127 427041165 /nfs/dbraw/zinc/04/11/65/427041165.db2.gz HMEJRVOELMFAAT-LLVKDONJSA-N 1 1 320.315 2.702 20 5 DFBDMO CC1([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)OCCO1 ZINC000276352837 427043285 /nfs/dbraw/zinc/04/32/85/427043285.db2.gz WXFCWWZWNDVUNF-CYBMUJFWSA-N 1 1 324.352 2.709 20 5 DFBDMO COc1ccc(C[NH2+][C@H](C)c2ccncc2F)cc1[N+](=O)[O-] ZINC000337939954 427051560 /nfs/dbraw/zinc/05/15/60/427051560.db2.gz AMWYEDZCYJKVAZ-SNVBAGLBSA-N 1 1 305.309 2.988 20 5 DFBDMO CO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000296110050 427077077 /nfs/dbraw/zinc/07/70/77/427077077.db2.gz RHKJQJWPWORGLX-CQSZACIVSA-N 1 1 319.361 2.983 20 5 DFBDMO CO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000296110050 427077082 /nfs/dbraw/zinc/07/70/82/427077082.db2.gz RHKJQJWPWORGLX-CQSZACIVSA-N 1 1 319.361 2.983 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCS[C@H](C)CC1 ZINC000249025019 427077625 /nfs/dbraw/zinc/07/76/25/427077625.db2.gz LHGNSHRBFCIBTP-VXGBXAGGSA-N 1 1 323.418 2.749 20 5 DFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCS[C@H](C)CC1 ZINC000249025019 427077632 /nfs/dbraw/zinc/07/76/32/427077632.db2.gz LHGNSHRBFCIBTP-VXGBXAGGSA-N 1 1 323.418 2.749 20 5 DFBDMO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000182496504 427087469 /nfs/dbraw/zinc/08/74/69/427087469.db2.gz HZZFGBNYVWQULD-GLQYFDAESA-N 1 1 317.389 2.704 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@H](C)C1 ZINC000190403909 427096801 /nfs/dbraw/zinc/09/68/01/427096801.db2.gz JBZBPLYQHZIVPD-LLVKDONJSA-N 1 1 323.418 2.527 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@H](C)C1 ZINC000190403909 427096809 /nfs/dbraw/zinc/09/68/09/427096809.db2.gz JBZBPLYQHZIVPD-LLVKDONJSA-N 1 1 323.418 2.527 20 5 DFBDMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000292122779 427097278 /nfs/dbraw/zinc/09/72/78/427097278.db2.gz HSKOWBGIORXYPM-CQSZACIVSA-N 1 1 303.406 2.901 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c(F)c1 ZINC000268723988 427102211 /nfs/dbraw/zinc/10/22/11/427102211.db2.gz WJAQTYCMWYRTDA-AWEZNQCLSA-N 1 1 317.320 2.782 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c(F)c1 ZINC000268723988 427102216 /nfs/dbraw/zinc/10/22/16/427102216.db2.gz WJAQTYCMWYRTDA-AWEZNQCLSA-N 1 1 317.320 2.782 20 5 DFBDMO Cc1nc(NCCCC[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296193919 427109051 /nfs/dbraw/zinc/10/90/51/427109051.db2.gz BPKHLHMOEOUEMK-GFCCVEGCSA-N 1 1 307.398 2.617 20 5 DFBDMO COCCO[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000249383889 427109864 /nfs/dbraw/zinc/10/98/64/427109864.db2.gz PKZVRGLIXJOCTM-UKRRQHHQSA-N 1 1 308.378 2.702 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292173389 427119236 /nfs/dbraw/zinc/11/92/36/427119236.db2.gz PWVKZTCJGMFTBJ-OAHLLOKOSA-N 1 1 309.797 2.776 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000296258491 427126983 /nfs/dbraw/zinc/12/69/83/427126983.db2.gz OAYDZCGQQGUZIO-SWLSCSKDSA-N 1 1 308.378 2.727 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000296258491 427126990 /nfs/dbraw/zinc/12/69/90/427126990.db2.gz OAYDZCGQQGUZIO-SWLSCSKDSA-N 1 1 308.378 2.727 20 5 DFBDMO CC(C)(C)CCNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292216334 427134723 /nfs/dbraw/zinc/13/47/23/427134723.db2.gz URMHFKUGINPTEQ-UHFFFAOYSA-N 1 1 321.421 2.972 20 5 DFBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000292233745 427139923 /nfs/dbraw/zinc/13/99/23/427139923.db2.gz IYWSTZVBYUNELF-LLVKDONJSA-N 1 1 324.812 2.954 20 5 DFBDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270481752 271295891 /nfs/dbraw/zinc/29/58/91/271295891.db2.gz FXLGPDDCBJIEJN-HIFRSBDPSA-N 1 1 307.394 2.657 20 5 DFBDMO Cn1cncc1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000297571665 271360298 /nfs/dbraw/zinc/36/02/98/271360298.db2.gz CYLXIKKXCUBANB-UHFFFAOYSA-N 1 1 300.362 2.535 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000269395121 427186200 /nfs/dbraw/zinc/18/62/00/427186200.db2.gz SVHSEMFTVKFSKZ-JQWIXIFHSA-N 1 1 312.801 2.810 20 5 DFBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000296478502 427191923 /nfs/dbraw/zinc/19/19/23/427191923.db2.gz DRBFYHHOLDNEBI-INIZCTEOSA-N 1 1 318.377 2.544 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000285402779 427219828 /nfs/dbraw/zinc/21/98/28/427219828.db2.gz FIHZUFJIUOXBDF-CQSZACIVSA-N 1 1 303.366 2.519 20 5 DFBDMO C[S@](=O)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183122558 427206108 /nfs/dbraw/zinc/20/61/08/427206108.db2.gz YMPJJWYIZKRQJR-QRQCRPRQSA-N 1 1 318.398 2.804 20 5 DFBDMO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000285374893 427214828 /nfs/dbraw/zinc/21/48/28/427214828.db2.gz CGNBREAOHJIIFV-SNVBAGLBSA-N 1 1 322.315 2.976 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293108427 427215002 /nfs/dbraw/zinc/21/50/02/427215002.db2.gz LNUWNVBRJCZPLZ-HNNXBMFYSA-N 1 1 308.378 2.729 20 5 DFBDMO CCOCC(C)(C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000293140066 427222772 /nfs/dbraw/zinc/22/27/72/427222772.db2.gz CVQRYRGZWQLNTQ-UHFFFAOYSA-N 1 1 320.349 2.550 20 5 DFBDMO Cn1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000285426140 427226491 /nfs/dbraw/zinc/22/64/91/427226491.db2.gz WEVCULQLGSCWCX-UHFFFAOYSA-N 1 1 324.331 2.940 20 5 DFBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000269689939 427252811 /nfs/dbraw/zinc/25/28/11/427252811.db2.gz VXIMEJGLAUKVDM-GFCCVEGCSA-N 1 1 312.753 2.776 20 5 DFBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000269689939 427252819 /nfs/dbraw/zinc/25/28/19/427252819.db2.gz VXIMEJGLAUKVDM-GFCCVEGCSA-N 1 1 312.753 2.776 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000269689940 427253844 /nfs/dbraw/zinc/25/38/44/427253844.db2.gz VXIMEJGLAUKVDM-LBPRGKRZSA-N 1 1 312.753 2.776 20 5 DFBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000269689940 427253850 /nfs/dbraw/zinc/25/38/50/427253850.db2.gz VXIMEJGLAUKVDM-LBPRGKRZSA-N 1 1 312.753 2.776 20 5 DFBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC000269702730 427254135 /nfs/dbraw/zinc/25/41/35/427254135.db2.gz YXBPSSLSLYAFIE-SFHVURJKSA-N 1 1 312.369 2.727 20 5 DFBDMO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000296866338 427257714 /nfs/dbraw/zinc/25/77/14/427257714.db2.gz ZGUOLWVURNBNBP-CQSZACIVSA-N 1 1 303.406 2.553 20 5 DFBDMO C[C@H]1CN(C2CC2)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296866338 427257719 /nfs/dbraw/zinc/25/77/19/427257719.db2.gz ZGUOLWVURNBNBP-CQSZACIVSA-N 1 1 303.406 2.553 20 5 DFBDMO C[C@H]1CN(C2CC2)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296866338 427257725 /nfs/dbraw/zinc/25/77/25/427257725.db2.gz ZGUOLWVURNBNBP-CQSZACIVSA-N 1 1 303.406 2.553 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000183390924 427260805 /nfs/dbraw/zinc/26/08/05/427260805.db2.gz BHGDBQCSXVAENF-LSDHHAIUSA-N 1 1 308.403 2.610 20 5 DFBDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183397045 427263729 /nfs/dbraw/zinc/26/37/29/427263729.db2.gz KUQGMJMMTGMLTN-INIZCTEOSA-N 1 1 308.378 2.531 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000330589719 427270490 /nfs/dbraw/zinc/27/04/90/427270490.db2.gz POJKKHKPQGIEDW-WDEREUQCSA-N 1 1 307.350 2.739 20 5 DFBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(CO)CC1 ZINC000285713475 427315857 /nfs/dbraw/zinc/31/58/57/427315857.db2.gz SLACUUTUILOQCI-UHFFFAOYSA-N 1 1 314.332 2.856 20 5 DFBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(CO)CC1 ZINC000285713475 427315865 /nfs/dbraw/zinc/31/58/65/427315865.db2.gz SLACUUTUILOQCI-UHFFFAOYSA-N 1 1 314.332 2.856 20 5 DFBDMO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000285753889 427327841 /nfs/dbraw/zinc/32/78/41/427327841.db2.gz QZCUSRFGGVNBRH-SNVBAGLBSA-N 1 1 323.299 2.998 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000331299141 427395306 /nfs/dbraw/zinc/39/53/06/427395306.db2.gz VIMQPINTSTVKDV-YWPYICTPSA-N 1 1 308.378 2.585 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000331299140 427396908 /nfs/dbraw/zinc/39/69/08/427396908.db2.gz VIMQPINTSTVKDV-SLEUVZQESA-N 1 1 308.378 2.585 20 5 DFBDMO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191716661 427412961 /nfs/dbraw/zinc/41/29/61/427412961.db2.gz LEVRNYIMWVFROS-DCAQKATOSA-N 1 1 320.349 2.719 20 5 DFBDMO CCOc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000331139762 427354515 /nfs/dbraw/zinc/35/45/15/427354515.db2.gz FCQYFXGRSQFPLW-WFASDCNBSA-N 1 1 308.378 2.586 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000331170449 427362726 /nfs/dbraw/zinc/36/27/26/427362726.db2.gz NYTLYDYCWMAMJZ-HEHGZKQESA-N 1 1 322.405 2.975 20 5 DFBDMO CCOc1cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000331170452 427362794 /nfs/dbraw/zinc/36/27/94/427362794.db2.gz NYTLYDYCWMAMJZ-ZENOOKHLSA-N 1 1 322.405 2.975 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000271236819 427462407 /nfs/dbraw/zinc/46/24/07/427462407.db2.gz NKZNPRPZWYPDDT-KRWDZBQOSA-N 1 1 316.332 2.826 20 5 DFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000271236819 427462413 /nfs/dbraw/zinc/46/24/13/427462413.db2.gz NKZNPRPZWYPDDT-KRWDZBQOSA-N 1 1 316.332 2.826 20 5 DFBDMO Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000338743264 427464526 /nfs/dbraw/zinc/46/45/26/427464526.db2.gz HHXOHMLUDYRRJI-INIZCTEOSA-N 1 1 307.369 2.964 20 5 DFBDMO Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278828163 427466219 /nfs/dbraw/zinc/46/62/19/427466219.db2.gz QJGOZJUDEDRCNW-CQSZACIVSA-N 1 1 319.405 2.593 20 5 DFBDMO CCC[N@H+](CCc1cccs1)CCn1ccc([N+](=O)[O-])n1 ZINC000184516714 427478463 /nfs/dbraw/zinc/47/84/63/427478463.db2.gz NCEHQFQQHHPMRI-UHFFFAOYSA-N 1 1 308.407 2.808 20 5 DFBDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331745852 427481097 /nfs/dbraw/zinc/48/10/97/427481097.db2.gz YPYDHVCGYUZPHY-GXTWGEPZSA-N 1 1 317.389 2.747 20 5 DFBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000184231544 427421513 /nfs/dbraw/zinc/42/15/13/427421513.db2.gz QKDZMYPWCMFCRC-SICOMBFOSA-N 1 1 317.389 2.551 20 5 DFBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000297692998 427430775 /nfs/dbraw/zinc/43/07/75/427430775.db2.gz AICYPEZQZBTMJA-LBPRGKRZSA-N 1 1 321.377 2.806 20 5 DFBDMO COc1cc(C[NH2+][C@H](CO)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184300784 427435274 /nfs/dbraw/zinc/43/52/74/427435274.db2.gz BRMIKOOVJFMAAR-CQSZACIVSA-N 1 1 320.320 2.566 20 5 DFBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000293810580 427445893 /nfs/dbraw/zinc/44/58/93/427445893.db2.gz FCNCYHAGRRZJJX-KRWDZBQOSA-N 1 1 314.385 2.939 20 5 DFBDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286440338 427528690 /nfs/dbraw/zinc/52/86/90/427528690.db2.gz NNDJNFZXLWFGAI-GJZGRUSLSA-N 1 1 314.332 2.998 20 5 DFBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286440338 427528698 /nfs/dbraw/zinc/52/86/98/427528698.db2.gz NNDJNFZXLWFGAI-GJZGRUSLSA-N 1 1 314.332 2.998 20 5 DFBDMO C[C@]12CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000298206837 427535091 /nfs/dbraw/zinc/53/50/91/427535091.db2.gz DAZSIXIPJVQXCA-KGLIPLIRSA-N 1 1 312.316 2.951 20 5 DFBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332223752 427550709 /nfs/dbraw/zinc/55/07/09/427550709.db2.gz MMFHDKZBJRAHOH-ZJUUUORDSA-N 1 1 317.349 2.607 20 5 DFBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332223752 427550715 /nfs/dbraw/zinc/55/07/15/427550715.db2.gz MMFHDKZBJRAHOH-ZJUUUORDSA-N 1 1 317.349 2.607 20 5 DFBDMO CC(C)N1CCC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000263726251 427553750 /nfs/dbraw/zinc/55/37/50/427553750.db2.gz PEYFUJRGZMCMSH-UHFFFAOYSA-N 1 1 321.421 2.778 20 5 DFBDMO CC(C)N1CCC([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000263726251 427553754 /nfs/dbraw/zinc/55/37/54/427553754.db2.gz PEYFUJRGZMCMSH-UHFFFAOYSA-N 1 1 321.421 2.778 20 5 DFBDMO CCC1(CC)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000185237778 427619096 /nfs/dbraw/zinc/61/90/96/427619096.db2.gz XGYLDRFUAZKBBL-QFIPXVFZSA-N 1 1 324.446 2.760 20 5 DFBDMO CCC1(CC)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000185237778 427619106 /nfs/dbraw/zinc/61/91/06/427619106.db2.gz XGYLDRFUAZKBBL-QFIPXVFZSA-N 1 1 324.446 2.760 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341766031 271892869 /nfs/dbraw/zinc/89/28/69/271892869.db2.gz FAOXSOWQWNURGP-WFASDCNBSA-N 1 1 305.378 2.646 20 5 DFBDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192629662 427576937 /nfs/dbraw/zinc/57/69/37/427576937.db2.gz SZQDZKLWCNHLFS-SMDDNHRTSA-N 1 1 305.378 2.704 20 5 DFBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000192633913 427577241 /nfs/dbraw/zinc/57/72/41/427577241.db2.gz HIEBUGREHSLFIQ-CQSZACIVSA-N 1 1 321.425 2.796 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332341366 427584002 /nfs/dbraw/zinc/58/40/02/427584002.db2.gz QZQUHAFCFVSLMO-OLZOCXBDSA-N 1 1 315.377 2.962 20 5 DFBDMO C[N@@H+]1CC=C(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000271890981 427591974 /nfs/dbraw/zinc/59/19/74/427591974.db2.gz DTLYVADDLLZBCW-UHFFFAOYSA-N 1 1 324.768 2.632 20 5 DFBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000263986661 427626081 /nfs/dbraw/zinc/62/60/81/427626081.db2.gz MEZDKKAETCQFJW-NSHDSACASA-N 1 1 311.407 2.651 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287558216 427638974 /nfs/dbraw/zinc/63/89/74/427638974.db2.gz WSTCIIGWYPLHRN-HIFRSBDPSA-N 1 1 317.389 2.600 20 5 DFBDMO C[C@H](CN(C)C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000342222739 271969613 /nfs/dbraw/zinc/96/96/13/271969613.db2.gz UYOZOWHKCZYQDU-GFCCVEGCSA-N 1 1 303.362 2.895 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342907186 272066320 /nfs/dbraw/zinc/06/63/20/272066320.db2.gz NVVVTBAQNMFRDD-NSHDSACASA-N 1 1 318.377 2.536 20 5 DFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1(O)CCC1 ZINC000339088514 427670306 /nfs/dbraw/zinc/67/03/06/427670306.db2.gz RTBZHHFXCQENHU-UHFFFAOYSA-N 1 1 318.295 2.960 20 5 DFBDMO CSc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343446404 272148803 /nfs/dbraw/zinc/14/88/03/272148803.db2.gz OQNWRWDSJUVCKU-CMPLNLGQSA-N 1 1 323.418 2.529 20 5 DFBDMO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185586419 427674016 /nfs/dbraw/zinc/67/40/16/427674016.db2.gz MNEVGTKPKPHDSC-DOMZBBRYSA-N 1 1 305.378 2.962 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000343581210 272176899 /nfs/dbraw/zinc/17/68/99/272176899.db2.gz WIEQVTHZUCWBPC-AWEZNQCLSA-N 1 1 305.378 2.507 20 5 DFBDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000185584415 427675570 /nfs/dbraw/zinc/67/55/70/427675570.db2.gz RJELTKMMRCAICT-IUODEOHRSA-N 1 1 317.389 2.604 20 5 DFBDMO CCC[N@H+]1CCC[C@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000343909213 272235504 /nfs/dbraw/zinc/23/55/04/272235504.db2.gz BPVPSAHMKYUMDB-ZDUSSCGKSA-N 1 1 321.377 2.668 20 5 DFBDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000185616528 427680350 /nfs/dbraw/zinc/68/03/50/427680350.db2.gz JPHJTURZQUMBFP-FZMZJTMJSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344056701 272253035 /nfs/dbraw/zinc/25/30/35/272253035.db2.gz JZRKGZAJCMWGGS-CQSZACIVSA-N 1 1 317.389 2.964 20 5 DFBDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000344204357 272286449 /nfs/dbraw/zinc/28/64/49/272286449.db2.gz GSQYXDZXGNIDPI-CYBMUJFWSA-N 1 1 305.378 2.562 20 5 DFBDMO CC[C@@]1(C)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344220425 272290357 /nfs/dbraw/zinc/29/03/57/272290357.db2.gz QOPLNBVJRJCQGD-WBVHZDCISA-N 1 1 317.389 2.822 20 5 DFBDMO Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344923925 272385487 /nfs/dbraw/zinc/38/54/87/272385487.db2.gz XNRBMYYQWGBOKO-AAEUAGOBSA-N 1 1 306.366 2.507 20 5 DFBDMO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](C)O ZINC000339187509 427723678 /nfs/dbraw/zinc/72/36/78/427723678.db2.gz CFKOOYDZNAXVOK-VIFPVBQESA-N 1 1 306.284 2.816 20 5 DFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(F)c1 ZINC000336866637 427766574 /nfs/dbraw/zinc/76/65/74/427766574.db2.gz OZDVHNPBBJLIJJ-NUEKZKHPSA-N 1 1 308.353 2.859 20 5 DFBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000336868555 427767316 /nfs/dbraw/zinc/76/73/16/427767316.db2.gz XFNBYRBKAAUXRW-WFASDCNBSA-N 1 1 307.369 2.793 20 5 DFBDMO CC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301411401 427794865 /nfs/dbraw/zinc/79/48/65/427794865.db2.gz KHPNYFYALHPDRO-SMDDNHRTSA-N 1 1 305.378 2.716 20 5 DFBDMO Cc1ccc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000301452695 427797225 /nfs/dbraw/zinc/79/72/25/427797225.db2.gz UUKWATPOOHBYKD-INIZCTEOSA-N 1 1 307.394 2.672 20 5 DFBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301504542 427801126 /nfs/dbraw/zinc/80/11/26/427801126.db2.gz GKIUAHLALDCIRJ-LBPRGKRZSA-N 1 1 311.357 2.503 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000301562847 427805361 /nfs/dbraw/zinc/80/53/61/427805361.db2.gz LCZSJRDJGNAELU-INIZCTEOSA-N 1 1 307.394 2.672 20 5 DFBDMO COc1ccc(NC(=O)CC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339659815 427808116 /nfs/dbraw/zinc/80/81/16/427808116.db2.gz BCCXRHMZARAYLA-UHFFFAOYSA-N 1 1 319.361 2.584 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000301809456 427825678 /nfs/dbraw/zinc/82/56/78/427825678.db2.gz YXHUWGKUHXTFMA-CYBMUJFWSA-N 1 1 304.394 2.751 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339774149 427827515 /nfs/dbraw/zinc/82/75/15/427827515.db2.gz DVIVDOFLYIDBSA-MRXNPFEDSA-N 1 1 320.389 2.865 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339774149 427827516 /nfs/dbraw/zinc/82/75/16/427827516.db2.gz DVIVDOFLYIDBSA-MRXNPFEDSA-N 1 1 320.389 2.865 20 5 DFBDMO Cc1noc([C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000346278350 272611058 /nfs/dbraw/zinc/61/10/58/272611058.db2.gz VCJDFUHONMCPMT-SNVBAGLBSA-N 1 1 322.752 2.929 20 5 DFBDMO Cc1noc([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000346278350 272611061 /nfs/dbraw/zinc/61/10/61/272611061.db2.gz VCJDFUHONMCPMT-SNVBAGLBSA-N 1 1 322.752 2.929 20 5 DFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302870267 427881988 /nfs/dbraw/zinc/88/19/88/427881988.db2.gz BKPUELGPDCZCRX-BXUZGUMPSA-N 1 1 304.394 2.703 20 5 DFBDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000355777559 427885877 /nfs/dbraw/zinc/88/58/77/427885877.db2.gz CDHAUPBSAANHDX-AGIUHOORSA-N 1 1 305.378 2.900 20 5 DFBDMO C[N@H+]1CCCC12CCN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000359516416 427886282 /nfs/dbraw/zinc/88/62/82/427886282.db2.gz RDUQWBPSYJFUTR-UHFFFAOYSA-N 1 1 307.369 2.794 20 5 DFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359524820 427891145 /nfs/dbraw/zinc/89/11/45/427891145.db2.gz FSIDVQUCMJPAHS-AWEZNQCLSA-N 1 1 323.368 2.680 20 5 DFBDMO CC(C)OCC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000349907281 427895117 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CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345875408 427936383 /nfs/dbraw/zinc/93/63/83/427936383.db2.gz BKQCMPRRYBHVKL-RYUDHWBXSA-N 1 1 306.366 2.541 20 5 DFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345875407 427936624 /nfs/dbraw/zinc/93/66/24/427936624.db2.gz BKQCMPRRYBHVKL-NWDGAFQWSA-N 1 1 306.366 2.541 20 5 DFBDMO CC[N@@H+](CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000347222639 272750946 /nfs/dbraw/zinc/75/09/46/272750946.db2.gz FEEIGIOYRGQPNT-UHFFFAOYSA-N 1 1 312.345 2.586 20 5 DFBDMO C[N@H+]1CCC[C@H]1[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369764356 428055844 /nfs/dbraw/zinc/05/58/44/428055844.db2.gz BRYYQHCPAZNICM-JKSUJKDBSA-N 1 1 307.369 2.793 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369550707 427997256 /nfs/dbraw/zinc/99/72/56/427997256.db2.gz MQNVCPZHIBNZKC-CYBMUJFWSA-N 1 1 300.362 2.799 20 5 DFBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000369582910 428008252 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O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000377778557 428225303 /nfs/dbraw/zinc/22/53/03/428225303.db2.gz KFVFRRDXQZEZIG-SNVBAGLBSA-N 1 1 306.753 2.618 20 5 DFBDMO CCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000352738921 428226223 /nfs/dbraw/zinc/22/62/23/428226223.db2.gz VNTGRTCRGAINNX-UHFFFAOYSA-N 1 1 301.346 2.851 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000352759433 428233897 /nfs/dbraw/zinc/23/38/97/428233897.db2.gz VWMKWDCFQFNWQK-UHFFFAOYSA-N 1 1 308.769 2.656 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000352759433 428233902 /nfs/dbraw/zinc/23/39/02/428233902.db2.gz VWMKWDCFQFNWQK-UHFFFAOYSA-N 1 1 308.769 2.656 20 5 DFBDMO Cc1n[nH]c(C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000370378064 428195963 /nfs/dbraw/zinc/19/59/63/428195963.db2.gz WYICSFIFIVHZLW-UHFFFAOYSA-N 1 1 319.340 2.540 20 5 DFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000346501436 428197986 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2.632 20 5 DFBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000346628857 428245936 /nfs/dbraw/zinc/24/59/36/428245936.db2.gz ATZAPYKRAKXYHQ-JOYOIKCWSA-N 1 1 312.753 2.632 20 5 DFBDMO CCOc1ccc([C@@H](C)N[C@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342740 428262347 /nfs/dbraw/zinc/26/23/47/428262347.db2.gz MSZGMGSPOGSBBX-OCCSQVGLSA-N 1 1 307.394 2.738 20 5 DFBDMO CCOc1ccc([C@@H](C)N[C@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342740 428262352 /nfs/dbraw/zinc/26/23/52/428262352.db2.gz MSZGMGSPOGSBBX-OCCSQVGLSA-N 1 1 307.394 2.738 20 5 DFBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000378131867 428317006 /nfs/dbraw/zinc/31/70/06/428317006.db2.gz GTCNNCUVNYUPCR-UONOGXRCSA-N 1 1 304.394 2.751 20 5 DFBDMO COC(=O)[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]1CCCC2 ZINC000342149069 428323567 /nfs/dbraw/zinc/32/35/67/428323567.db2.gz HRGDICAJMWPYFN-WMLDXEAASA-N 1 1 318.373 2.760 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC000346876805 428355072 /nfs/dbraw/zinc/35/50/72/428355072.db2.gz MEUOKDZFRKXOIE-UHFFFAOYSA-N 1 1 300.318 2.617 20 5 DFBDMO C[NH+](C)[C@@H](CNc1ccncc1[N+](=O)[O-])c1ccccc1Cl ZINC000357049884 428374362 /nfs/dbraw/zinc/37/43/62/428374362.db2.gz NOBSHQSVBLAPNZ-AWEZNQCLSA-N 1 1 320.780 2.780 20 5 DFBDMO N[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414890531 428445905 /nfs/dbraw/zinc/44/59/05/428445905.db2.gz MWXAZSVJRXZVMV-FVQBIDKESA-N 1 1 303.406 2.633 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCCCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000372590556 428470443 /nfs/dbraw/zinc/47/04/43/428470443.db2.gz RHSOAYLURCYWIH-DZGCQCFKSA-N 1 1 317.389 2.848 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCS[C@@H](c3ccccc3)C2)n1 ZINC000360847762 428463764 /nfs/dbraw/zinc/46/37/64/428463764.db2.gz IKRKODFZTJALKQ-CQSZACIVSA-N 1 1 318.402 2.581 20 5 DFBDMO COc1ccc(-c2ccc(CNCC[C@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414821413 428424114 /nfs/dbraw/zinc/42/41/14/428424114.db2.gz LDXWDMYEOIRZIK-NSHDSACASA-N 1 1 319.361 2.690 20 5 DFBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](C4CC4)C3)n2)cc1 ZINC000372339569 428430996 /nfs/dbraw/zinc/43/09/96/428430996.db2.gz OGFKAKPQBWWUQK-ZDUSSCGKSA-N 1 1 314.345 2.877 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000360954596 428509378 /nfs/dbraw/zinc/50/93/78/428509378.db2.gz RZRXRERRNCLGER-UHFFFAOYSA-N 1 1 314.345 2.905 20 5 DFBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000357617448 428551137 /nfs/dbraw/zinc/55/11/37/428551137.db2.gz ZSQDJLZHDFEDGM-LBPRGKRZSA-N 1 1 301.350 2.590 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](C)(F)C1 ZINC000347343726 428555380 /nfs/dbraw/zinc/55/53/80/428555380.db2.gz GZHRHSSDMNDQLT-OAHLLOKOSA-N 1 1 309.341 2.666 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000347375802 428565861 /nfs/dbraw/zinc/56/58/61/428565861.db2.gz SAGSPVHEJPJLMX-XETPBLJFSA-N 1 1 317.389 2.586 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000408172249 428613384 /nfs/dbraw/zinc/61/33/84/428613384.db2.gz UJVVOPTXCXBGHU-KGLIPLIRSA-N 1 1 304.394 2.527 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000408171911 428613905 /nfs/dbraw/zinc/61/39/05/428613905.db2.gz PIQZJNUGQXFYMD-UONOGXRCSA-N 1 1 304.394 2.527 20 5 DFBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000408306352 428638392 /nfs/dbraw/zinc/63/83/92/428638392.db2.gz CORNUJDWGSRSKJ-CHWSQXEVSA-N 1 1 320.393 2.768 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408347930 428644783 /nfs/dbraw/zinc/64/47/83/428644783.db2.gz CGTXSUOUXGYLRV-GUYCJALGSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408347930 428644788 /nfs/dbraw/zinc/64/47/88/428644788.db2.gz CGTXSUOUXGYLRV-GUYCJALGSA-N 1 1 320.389 2.926 20 5 DFBDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373809114 428649956 /nfs/dbraw/zinc/64/99/56/428649956.db2.gz DRNDXQUDQRWWDM-XKQJLSEDSA-N 1 1 320.389 2.926 20 5 DFBDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373809114 428649959 /nfs/dbraw/zinc/64/99/59/428649959.db2.gz DRNDXQUDQRWWDM-XKQJLSEDSA-N 1 1 320.389 2.926 20 5 DFBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000348221043 428662244 /nfs/dbraw/zinc/66/22/44/428662244.db2.gz DHOLSLWIYYLKJW-GUYCJALGSA-N 1 1 320.389 2.863 20 5 DFBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000362255416 428679147 /nfs/dbraw/zinc/67/91/47/428679147.db2.gz HICJCTFTZIIBHL-ZDUSSCGKSA-N 1 1 315.377 2.726 20 5 DFBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000348525674 428769283 /nfs/dbraw/zinc/76/92/83/428769283.db2.gz PNEQYVGCZHLZDT-HNNXBMFYSA-N 1 1 311.341 2.641 20 5 DFBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000348525674 428769287 /nfs/dbraw/zinc/76/92/87/428769287.db2.gz PNEQYVGCZHLZDT-HNNXBMFYSA-N 1 1 311.341 2.641 20 5 DFBDMO C[C@@H]1CC[C@H]1[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353829377 428738447 /nfs/dbraw/zinc/73/84/47/428738447.db2.gz SMNMXKJQAGPYTR-KCPJHIHWSA-N 1 1 300.362 2.806 20 5 DFBDMO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1F ZINC000374774117 428747191 /nfs/dbraw/zinc/74/71/91/428747191.db2.gz AHPSXOSUUFPBCI-FMKPAKJESA-N 1 1 319.380 2.650 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000362447645 428748206 /nfs/dbraw/zinc/74/82/06/428748206.db2.gz CQLCCHOERAFLRZ-PBHICJAKSA-N 1 1 320.389 2.865 20 5 DFBDMO C[C@H](c1ccccn1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299202685 274548025 /nfs/dbraw/zinc/54/80/25/274548025.db2.gz XJTLRBILPZSABJ-CQSZACIVSA-N 1 1 312.373 2.873 20 5 DFBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCc1noc(C)n1 ZINC000348836855 428854339 /nfs/dbraw/zinc/85/43/39/428854339.db2.gz DYCDYZRZRIWNLN-FMIVXFBMSA-N 1 1 316.361 2.864 20 5 DFBDMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](CC)CN1C(C)=O ZINC000354122071 428873633 /nfs/dbraw/zinc/87/36/33/428873633.db2.gz WPHSFKAVFRWHPD-HZPDHXFCSA-N 1 1 319.405 2.816 20 5 DFBDMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](CC)CN1C(C)=O ZINC000354122071 428873637 /nfs/dbraw/zinc/87/36/37/428873637.db2.gz WPHSFKAVFRWHPD-HZPDHXFCSA-N 1 1 319.405 2.816 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411949979 428892100 /nfs/dbraw/zinc/89/21/00/428892100.db2.gz QUSLOAACLHYSQB-ZWKOTPCHSA-N 1 1 312.369 2.945 20 5 DFBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000363451925 428920464 /nfs/dbraw/zinc/92/04/64/428920464.db2.gz YSVPJTFDMBXDKB-HUUCEWRRSA-N 1 1 320.389 2.722 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412044617 428924260 /nfs/dbraw/zinc/92/42/60/428924260.db2.gz OUPLQIFTDUGZFS-LBPRGKRZSA-N 1 1 305.378 2.962 20 5 DFBDMO Cc1nnc([C@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412043876 428924760 /nfs/dbraw/zinc/92/47/60/428924760.db2.gz PUXWOAQJSAELIV-YPMHNXCESA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1n[nH]c([C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412043876 428924765 /nfs/dbraw/zinc/92/47/65/428924765.db2.gz PUXWOAQJSAELIV-YPMHNXCESA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1n[nH]c([C@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412043876 428924772 /nfs/dbraw/zinc/92/47/72/428924772.db2.gz PUXWOAQJSAELIV-YPMHNXCESA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1nc([C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000412043876 428924778 /nfs/dbraw/zinc/92/47/78/428924778.db2.gz PUXWOAQJSAELIV-YPMHNXCESA-N 1 1 315.377 2.880 20 5 DFBDMO Cc1nc([C@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000412043876 428924784 /nfs/dbraw/zinc/92/47/84/428924784.db2.gz PUXWOAQJSAELIV-YPMHNXCESA-N 1 1 315.377 2.880 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412050402 428928325 /nfs/dbraw/zinc/92/83/25/428928325.db2.gz YLZGNNSDNFHVGM-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412050402 428928328 /nfs/dbraw/zinc/92/83/28/428928328.db2.gz YLZGNNSDNFHVGM-NSHDSACASA-N 1 1 321.377 2.662 20 5 DFBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412064081 428936426 /nfs/dbraw/zinc/93/64/26/428936426.db2.gz BPTZIMKCEZDVKM-UONOGXRCSA-N 1 1 322.405 2.975 20 5 DFBDMO COC(=O)[C@@]1(C)CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000412072737 428938627 /nfs/dbraw/zinc/93/86/27/428938627.db2.gz PWKMOXSZTSYXHY-LRDDRELGSA-N 1 1 306.362 2.931 20 5 DFBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000412085038 428946444 /nfs/dbraw/zinc/94/64/44/428946444.db2.gz ZCYJYWZVRDTTGG-OAHLLOKOSA-N 1 1 310.325 2.509 20 5 DFBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000412085038 428946450 /nfs/dbraw/zinc/94/64/50/428946450.db2.gz ZCYJYWZVRDTTGG-OAHLLOKOSA-N 1 1 310.325 2.509 20 5 DFBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000363587439 428948583 /nfs/dbraw/zinc/94/85/83/428948583.db2.gz NOENDGMCNGPVOS-QLFBSQMISA-N 1 1 319.405 2.896 20 5 DFBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000412091974 428949982 /nfs/dbraw/zinc/94/99/82/428949982.db2.gz CQJVGRSUFHQFNI-MRXNPFEDSA-N 1 1 306.362 2.678 20 5 DFBDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000375778092 428968637 /nfs/dbraw/zinc/96/86/37/428968637.db2.gz RRQVKJJWVXVBTR-GFCCVEGCSA-N 1 1 318.352 2.847 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451907504 429017439 /nfs/dbraw/zinc/01/74/39/429017439.db2.gz HSIXXMQSUZFTIF-MRXNPFEDSA-N 1 1 306.362 2.606 20 5 DFBDMO Cc1c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000451913538 429018631 /nfs/dbraw/zinc/01/86/31/429018631.db2.gz SUGYKSMDVNUBHR-WCQYABFASA-N 1 1 318.295 2.648 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433301078 429020761 /nfs/dbraw/zinc/02/07/61/429020761.db2.gz UZNAKCMRCIUYQD-ZDUSSCGKSA-N 1 1 320.780 2.934 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433325244 429026396 /nfs/dbraw/zinc/02/63/96/429026396.db2.gz HWMNNSPXCQUVOH-LBPRGKRZSA-N 1 1 320.780 2.971 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433325244 429026398 /nfs/dbraw/zinc/02/63/98/429026398.db2.gz HWMNNSPXCQUVOH-LBPRGKRZSA-N 1 1 320.780 2.971 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000421770962 429031052 /nfs/dbraw/zinc/03/10/52/429031052.db2.gz LDIVOOZAPWKGJV-CQSZACIVSA-N 1 1 319.405 2.625 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000421790775 429032227 /nfs/dbraw/zinc/03/22/27/429032227.db2.gz YOGYORIIFGJAEL-STQMWFEESA-N 1 1 317.389 2.567 20 5 DFBDMO COc1cc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000451784657 428973248 /nfs/dbraw/zinc/97/32/48/428973248.db2.gz DVQHLEWGXDGHLX-CYBMUJFWSA-N 1 1 310.394 2.832 20 5 DFBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000375814467 428984014 /nfs/dbraw/zinc/98/40/14/428984014.db2.gz LPKRZDGRGRYPDP-DZGCQCFKSA-N 1 1 317.389 2.602 20 5 DFBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000433076700 428990733 /nfs/dbraw/zinc/99/07/33/428990733.db2.gz LGACNULNTQLKBP-HNNXBMFYSA-N 1 1 300.362 2.671 20 5 DFBDMO Cc1c[nH+]cn1C1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000376741112 274828830 /nfs/dbraw/zinc/82/88/30/274828830.db2.gz DGIPNEYLQHGGFN-UHFFFAOYSA-N 1 1 301.350 2.645 20 5 DFBDMO Cc1ccc(C[C@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355333871 429039826 /nfs/dbraw/zinc/03/98/26/429039826.db2.gz QYYOAXFZSZPWIL-ZDUSSCGKSA-N 1 1 302.378 2.700 20 5 DFBDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355333871 429039831 /nfs/dbraw/zinc/03/98/31/429039831.db2.gz QYYOAXFZSZPWIL-ZDUSSCGKSA-N 1 1 302.378 2.700 20 5 DFBDMO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000424136869 429096580 /nfs/dbraw/zinc/09/65/80/429096580.db2.gz LDMUXBWXZWPNEU-WCQYABFASA-N 1 1 305.378 2.645 20 5 DFBDMO CC(C)(C)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000452086094 429055457 /nfs/dbraw/zinc/05/54/57/429055457.db2.gz WYFHEGPLPAJSFS-CYBMUJFWSA-N 1 1 307.394 2.515 20 5 DFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]([NH3+])C1CC1 ZINC000423315897 429061933 /nfs/dbraw/zinc/06/19/33/429061933.db2.gz JGEPFIZQATXGFW-CHWSQXEVSA-N 1 1 309.435 2.792 20 5 DFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N)C1CC1 ZINC000423315897 429061938 /nfs/dbraw/zinc/06/19/38/429061938.db2.gz JGEPFIZQATXGFW-CHWSQXEVSA-N 1 1 309.435 2.792 20 5 DFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]([NH3+])C1CC1 ZINC000423315900 429061949 /nfs/dbraw/zinc/06/19/49/429061949.db2.gz JGEPFIZQATXGFW-OLZOCXBDSA-N 1 1 309.435 2.792 20 5 DFBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N)C1CC1 ZINC000423315900 429061951 /nfs/dbraw/zinc/06/19/51/429061951.db2.gz JGEPFIZQATXGFW-OLZOCXBDSA-N 1 1 309.435 2.792 20 5 DFBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000376226477 429081079 /nfs/dbraw/zinc/08/10/79/429081079.db2.gz NUHRIGXCQUEIOC-INIZCTEOSA-N 1 1 314.389 2.746 20 5 DFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000435594378 429151370 /nfs/dbraw/zinc/15/13/70/429151370.db2.gz QVGFZVGQNOXKTC-CQSZACIVSA-N 1 1 304.394 3.199 20 5 DFBDMO CC[N@H+]1CC[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000434959264 429117045 /nfs/dbraw/zinc/11/70/45/429117045.db2.gz KYEJXTKNTSRPAQ-PWSUYJOCSA-N 1 1 312.801 2.952 20 5 DFBDMO CCCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363874075 429131096 /nfs/dbraw/zinc/13/10/96/429131096.db2.gz GVJANYPSWRXPCZ-UHFFFAOYSA-N 1 1 319.405 2.738 20 5 DFBDMO CCCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363874075 429131100 /nfs/dbraw/zinc/13/11/00/429131100.db2.gz GVJANYPSWRXPCZ-UHFFFAOYSA-N 1 1 319.405 2.738 20 5 DFBDMO CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435378714 429137579 /nfs/dbraw/zinc/13/75/79/429137579.db2.gz FVKVUHZLVFVSCG-AWEZNQCLSA-N 1 1 307.394 2.567 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000376578637 429141038 /nfs/dbraw/zinc/14/10/38/429141038.db2.gz CHEUZZJNKWIWBQ-ZFWWWQNUSA-N 1 1 317.389 2.602 20 5 DFBDMO Cc1cc(C(=O)N2CCC[N@H+](CC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000364078532 429167381 /nfs/dbraw/zinc/16/73/81/429167381.db2.gz PDFMLJIFMYPROE-UHFFFAOYSA-N 1 1 319.405 2.707 20 5 DFBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000276582650 275034466 /nfs/dbraw/zinc/03/44/66/275034466.db2.gz IRXYOOXZTIDUIA-AWEZNQCLSA-N 1 1 312.373 2.818 20 5 DFBDMO COc1cc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722040 429190014 /nfs/dbraw/zinc/19/00/14/429190014.db2.gz NEPNXUKGNOTTBN-XJKCOSOUSA-N 1 1 319.405 2.770 20 5 DFBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495258688 429193176 /nfs/dbraw/zinc/19/31/76/429193176.db2.gz DSKXHCPUNOEFPF-RHSMWYFYSA-N 1 1 322.405 2.847 20 5 DFBDMO Cc1cccc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000364607028 429233492 /nfs/dbraw/zinc/23/34/92/429233492.db2.gz LBBILNKASVQZQR-KBPBESRZSA-N 1 1 305.378 2.568 20 5 DFBDMO Cc1cccc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000364607028 429233497 /nfs/dbraw/zinc/23/34/97/429233497.db2.gz LBBILNKASVQZQR-KBPBESRZSA-N 1 1 305.378 2.568 20 5 DFBDMO CCOCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425461788 429300927 /nfs/dbraw/zinc/30/09/27/429300927.db2.gz SPHPDJOKFUHLPN-UHFFFAOYSA-N 1 1 317.183 2.826 20 5 DFBDMO CCOCC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425461788 429300930 /nfs/dbraw/zinc/30/09/30/429300930.db2.gz SPHPDJOKFUHLPN-UHFFFAOYSA-N 1 1 317.183 2.826 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426454379 429392857 /nfs/dbraw/zinc/39/28/57/429392857.db2.gz OXNORQKDMNIUID-IUODEOHRSA-N 1 1 303.362 2.716 20 5 DFBDMO Cn1cc(C[N@@H+]2CC[C@H](F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449390721 429401390 /nfs/dbraw/zinc/40/13/90/429401390.db2.gz WPVRWAMADGZFDH-ZDUSSCGKSA-N 1 1 304.325 2.539 20 5 DFBDMO Cn1cc(C[N@H+]2CC[C@H](F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449390721 429401392 /nfs/dbraw/zinc/40/13/92/429401392.db2.gz WPVRWAMADGZFDH-ZDUSSCGKSA-N 1 1 304.325 2.539 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000365933192 429405328 /nfs/dbraw/zinc/40/53/28/429405328.db2.gz BMKRUQARERWBPW-UHFFFAOYSA-N 1 1 321.768 2.746 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000449406426 429405899 /nfs/dbraw/zinc/40/58/99/429405899.db2.gz AQNHEXMSFUNKQD-YRNVUSSQSA-N 1 1 313.361 2.783 20 5 DFBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000449193122 429353924 /nfs/dbraw/zinc/35/39/24/429353924.db2.gz QOJCCCYXFQNJMX-RISCZKNCSA-N 1 1 300.362 2.916 20 5 DFBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](Oc3ccccn3)C2)cc1 ZINC000366274671 429446517 /nfs/dbraw/zinc/44/65/17/429446517.db2.gz ZHRFOWJDLFTCRV-MRXNPFEDSA-N 1 1 313.357 2.686 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC2(CCC2)C1 ZINC000366338943 429447042 /nfs/dbraw/zinc/44/70/42/429447042.db2.gz IVJPDJXGXZJLRY-CQSZACIVSA-N 1 1 320.389 2.601 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518706620 429430570 /nfs/dbraw/zinc/43/05/70/429430570.db2.gz PPTZNZNMBNIZGR-HIFRSBDPSA-N 1 1 319.405 2.641 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000449498422 429435751 /nfs/dbraw/zinc/43/57/51/429435751.db2.gz LHXRHKWGZMGJIJ-DOMZBBRYSA-N 1 1 308.378 2.850 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000449788183 429510522 /nfs/dbraw/zinc/51/05/22/429510522.db2.gz DBBYQVSYHLMZIK-ZDUSSCGKSA-N 1 1 308.378 2.588 20 5 DFBDMO COc1ccc(CNCC[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000449783038 429510820 /nfs/dbraw/zinc/51/08/20/429510820.db2.gz MUOPXIBRBLBFON-UHFFFAOYSA-N 1 1 307.394 2.567 20 5 DFBDMO COc1ccc(C[NH2+]CCN2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000449783038 429510825 /nfs/dbraw/zinc/51/08/25/429510825.db2.gz MUOPXIBRBLBFON-UHFFFAOYSA-N 1 1 307.394 2.567 20 5 DFBDMO C[N@H+]1CC[C@]2(CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000429020043 429572706 /nfs/dbraw/zinc/57/27/06/429572706.db2.gz MJFURHUNIDYGHL-HNNXBMFYSA-N 1 1 309.797 2.776 20 5 DFBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000522107033 429579243 /nfs/dbraw/zinc/57/92/43/429579243.db2.gz SVPSNIFTJDKGDP-UHFFFAOYSA-N 1 1 306.410 2.855 20 5 DFBDMO CCOc1cc(CN(C)C[C@@H]2CCC[N@H+]2CC)ccc1[N+](=O)[O-] ZINC000492790151 429616028 /nfs/dbraw/zinc/61/60/28/429616028.db2.gz OREFWWMGZBEKRT-HNNXBMFYSA-N 1 1 321.421 2.910 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429573954 429619396 /nfs/dbraw/zinc/61/93/96/429619396.db2.gz ONTKWMBSBBRWOC-NEPJUHHUSA-N 1 1 321.377 2.662 20 5 DFBDMO C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000429580228 429619404 /nfs/dbraw/zinc/61/94/04/429619404.db2.gz UCHWGOIZRQQFSI-OCCSQVGLSA-N 1 1 317.389 2.604 20 5 DFBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000429774195 429633090 /nfs/dbraw/zinc/63/30/90/429633090.db2.gz MEGYOJYIZVPMEH-OCCSQVGLSA-N 1 1 308.378 2.586 20 5 DFBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCc2[nH+]ccn2C1 ZINC000367451392 429649687 /nfs/dbraw/zinc/64/96/87/429649687.db2.gz QEIWTUCVBIZMGN-GFCCVEGCSA-N 1 1 314.345 2.668 20 5 DFBDMO CC[C@H](C)[N@@H+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450305333 429596484 /nfs/dbraw/zinc/59/64/84/429596484.db2.gz PXCBUUXDFQXDLM-LBPRGKRZSA-N 1 1 302.378 3.285 20 5 DFBDMO CC[N@H+]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450327795 429601403 /nfs/dbraw/zinc/60/14/03/429601403.db2.gz MXPZBTWGJVAZDA-UHFFFAOYSA-N 1 1 300.362 2.675 20 5 DFBDMO COC(=O)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429392924 429604527 /nfs/dbraw/zinc/60/45/27/429604527.db2.gz JXANWEPKAHSDSC-HOTGVXAUSA-N 1 1 320.389 2.657 20 5 DFBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450597537 429656207 /nfs/dbraw/zinc/65/62/07/429656207.db2.gz PBZFPDSPIYCPGQ-LBPRGKRZSA-N 1 1 313.785 2.507 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000430219071 429662866 /nfs/dbraw/zinc/66/28/66/429662866.db2.gz KQELNPUBSLOWCI-HUUCEWRRSA-N 1 1 322.405 2.832 20 5 DFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210554 429662927 /nfs/dbraw/zinc/66/29/27/429662927.db2.gz DOKSDCSJMFAVAQ-HOCLYGCPSA-N 1 1 319.405 2.662 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000430227919 429665357 /nfs/dbraw/zinc/66/53/57/429665357.db2.gz CPMUEZGHBKVGFV-TZMCWYRMSA-N 1 1 308.378 2.729 20 5 DFBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000430219532 429665426 /nfs/dbraw/zinc/66/54/26/429665426.db2.gz OBSZWKMKZIFIKV-MLGOLLRUSA-N 1 1 308.378 2.586 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430280751 429672268 /nfs/dbraw/zinc/67/22/68/429672268.db2.gz YBYNRHBUDRDFKD-NSHDSACASA-N 1 1 303.362 2.740 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430280751 429672271 /nfs/dbraw/zinc/67/22/71/429672271.db2.gz YBYNRHBUDRDFKD-NSHDSACASA-N 1 1 303.362 2.740 20 5 DFBDMO CC1=C[C@@H](C)C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430276058 429672849 /nfs/dbraw/zinc/67/28/49/429672849.db2.gz CKTAPRNAEKXUQW-DGCLKSJQSA-N 1 1 303.362 2.820 20 5 DFBDMO CC1=C[C@@H](C)C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430276058 429672853 /nfs/dbraw/zinc/67/28/53/429672853.db2.gz CKTAPRNAEKXUQW-DGCLKSJQSA-N 1 1 303.362 2.820 20 5 DFBDMO CC[NH+]1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000450921752 429731766 /nfs/dbraw/zinc/73/17/66/429731766.db2.gz KAKCOZCPMZUAIK-UHFFFAOYSA-N 1 1 320.437 2.731 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000483354416 429733833 /nfs/dbraw/zinc/73/38/33/429733833.db2.gz UGISCWCWUYAZHE-UHFFFAOYSA-N 1 1 303.362 2.884 20 5 DFBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC(C)=C(C)C1 ZINC000483354416 429733836 /nfs/dbraw/zinc/73/38/36/429733836.db2.gz UGISCWCWUYAZHE-UHFFFAOYSA-N 1 1 303.362 2.884 20 5 DFBDMO Cc1cccc2c1CC(C)(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000451264643 429799168 /nfs/dbraw/zinc/79/91/68/429799168.db2.gz UKELNXNOUPOKBB-UHFFFAOYSA-N 1 1 314.389 2.974 20 5 DFBDMO Cc1cccc2c1CC(C)(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000451264643 429799171 /nfs/dbraw/zinc/79/91/71/429799171.db2.gz UKELNXNOUPOKBB-UHFFFAOYSA-N 1 1 314.389 2.974 20 5 DFBDMO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1COC1 ZINC000451281777 429803578 /nfs/dbraw/zinc/80/35/78/429803578.db2.gz AEIWKPDADMOKBS-UHFFFAOYSA-N 1 1 317.345 2.513 20 5 DFBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1COC1 ZINC000451281777 429803582 /nfs/dbraw/zinc/80/35/82/429803582.db2.gz AEIWKPDADMOKBS-UHFFFAOYSA-N 1 1 317.345 2.513 20 5 DFBDMO Cc1c(CNc2[nH+]c3ccc(F)cc3n2C)cccc1[N+](=O)[O-] ZINC000431421235 429761196 /nfs/dbraw/zinc/76/11/96/429761196.db2.gz JKLKBMOAKCNOBZ-UHFFFAOYSA-N 1 1 314.320 3.541 20 5 DFBDMO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000367995505 429762831 /nfs/dbraw/zinc/76/28/31/429762831.db2.gz NBKRIYLXYGSDCQ-AAEUAGOBSA-N 1 1 300.362 2.834 20 5 DFBDMO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000367995506 429763142 /nfs/dbraw/zinc/76/31/42/429763142.db2.gz NBKRIYLXYGSDCQ-DGCLKSJQSA-N 1 1 300.362 2.834 20 5 DFBDMO COc1cc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000487055100 429763193 /nfs/dbraw/zinc/76/31/93/429763193.db2.gz AABIFECFTCZQEJ-AWEZNQCLSA-N 1 1 311.357 2.519 20 5 DFBDMO C[N@H+]1CC[C@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])[C@H]2C1 ZINC000432181109 429807397 /nfs/dbraw/zinc/80/73/97/429807397.db2.gz YUFCUYKLWYBHRQ-LRDDRELGSA-N 1 1 312.373 2.673 20 5 DFBDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451144706 429776087 /nfs/dbraw/zinc/77/60/87/429776087.db2.gz JFNZICLKYJQKDS-AXFHLTTASA-N 1 1 320.315 2.843 20 5 DFBDMO C[NH+]1CCC([C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000368131660 429795706 /nfs/dbraw/zinc/79/57/06/429795706.db2.gz BDRCQWNSWYIHFJ-AWEZNQCLSA-N 1 1 309.435 2.820 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000368278062 429822020 /nfs/dbraw/zinc/82/20/20/429822020.db2.gz WZBMWZVGJWRFSX-CYBMUJFWSA-N 1 1 314.345 2.924 20 5 DFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H](O)C(F)(F)F)C2)cc1 ZINC000451543713 429848117 /nfs/dbraw/zinc/84/81/17/429848117.db2.gz CFMONIDGMVAVGD-AAEUAGOBSA-N 1 1 318.295 2.697 20 5 DFBDMO CCO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451552540 429851350 /nfs/dbraw/zinc/85/13/50/429851350.db2.gz YUANJVVAOLGXFD-XJKSGUPXSA-N 1 1 308.378 2.721 20 5 DFBDMO CCO[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451552858 429851640 /nfs/dbraw/zinc/85/16/40/429851640.db2.gz ZEOQDASIIOMTIE-ZFWWWQNUSA-N 1 1 308.378 2.721 20 5 DFBDMO CCCCNC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451556814 429853299 /nfs/dbraw/zinc/85/32/99/429853299.db2.gz DNBFKSNABNSJMA-OAHLLOKOSA-N 1 1 319.405 2.691 20 5 DFBDMO CCCCNC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451556814 429853301 /nfs/dbraw/zinc/85/33/01/429853301.db2.gz DNBFKSNABNSJMA-OAHLLOKOSA-N 1 1 319.405 2.691 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000451726722 429880078 /nfs/dbraw/zinc/88/00/78/429880078.db2.gz VTMGXOHVPVXTCS-AWEZNQCLSA-N 1 1 307.394 2.520 20 5 DFBDMO O=c1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c2c(ccc3ccccc32)o1 ZINC000368800299 429895465 /nfs/dbraw/zinc/89/54/65/429895465.db2.gz MZUXKLTVOFIWNX-QGZVFWFLSA-N 1 1 321.376 2.903 20 5 DFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC12CCCCC2 ZINC000368896052 429900572 /nfs/dbraw/zinc/90/05/72/429900572.db2.gz LKPNCNLFZHPHFU-AWEZNQCLSA-N 1 1 320.389 2.743 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369060036 429909434 /nfs/dbraw/zinc/90/94/34/429909434.db2.gz AGYHJNKMERNCBS-DOMZBBRYSA-N 1 1 317.389 2.646 20 5 DFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369060036 429909436 /nfs/dbraw/zinc/90/94/36/429909436.db2.gz AGYHJNKMERNCBS-DOMZBBRYSA-N 1 1 317.389 2.646 20 5 DFBDMO CC(=O)c1ccc(N2CCC[N@H+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000369309611 429923236 /nfs/dbraw/zinc/92/32/36/429923236.db2.gz HHJBUZKGTVRSTK-UHFFFAOYSA-N 1 1 319.405 2.966 20 5 DFBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000558492637 429975441 /nfs/dbraw/zinc/97/54/41/429975441.db2.gz DNBILEOQOFFCQZ-WEKMIXOTSA-N 1 1 312.373 2.868 20 5 DFBDMO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000558690201 429985595 /nfs/dbraw/zinc/98/55/95/429985595.db2.gz APMZWOTWIYHOTO-KBPBESRZSA-N 1 1 319.405 2.546 20 5 DFBDMO C[N@@H+]1CCO[C@@H](CSc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000573840599 429987719 /nfs/dbraw/zinc/98/77/19/429987719.db2.gz UFCPMZAHPPDXLJ-CYBMUJFWSA-N 1 1 319.386 2.566 20 5 DFBDMO C[N@H+]1CCO[C@@H](CSc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000573840599 429987721 /nfs/dbraw/zinc/98/77/21/429987721.db2.gz UFCPMZAHPPDXLJ-CYBMUJFWSA-N 1 1 319.386 2.566 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000559625891 430010337 /nfs/dbraw/zinc/01/03/37/430010337.db2.gz UMBVPDAOYFCUOC-LBPRGKRZSA-N 1 1 304.394 2.705 20 5 DFBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000559641046 430012605 /nfs/dbraw/zinc/01/26/05/430012605.db2.gz VFUQVXBJAUGUOW-HNNXBMFYSA-N 1 1 314.389 2.954 20 5 DFBDMO CCCC[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562058826 430106231 /nfs/dbraw/zinc/10/62/31/430106231.db2.gz SNWMUPRJORJLQX-KGLIPLIRSA-N 1 1 310.394 2.845 20 5 DFBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000530326484 430111700 /nfs/dbraw/zinc/11/17/00/430111700.db2.gz VSVLHDYVJZVELE-MBSJSRAVSA-N 1 1 303.406 2.930 20 5 DFBDMO CC(C)Oc1nc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000581081744 430177420 /nfs/dbraw/zinc/17/74/20/430177420.db2.gz FDSIYGAYPVGANQ-QWHCGFSZSA-N 1 1 322.409 2.553 20 5 DFBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562299573 430117152 /nfs/dbraw/zinc/11/71/52/430117152.db2.gz LSAHEGSHFWSIHE-KBPBESRZSA-N 1 1 319.405 2.545 20 5 DFBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580547159 430133064 /nfs/dbraw/zinc/13/30/64/430133064.db2.gz WCTOMCHIMLARJI-XHDPSFHLSA-N 1 1 316.405 2.763 20 5 DFBDMO C[C@]1(CO)CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000545398672 430319407 /nfs/dbraw/zinc/31/94/07/430319407.db2.gz XUBLLKCRAVSUJB-MRXNPFEDSA-N 1 1 317.345 2.597 20 5 DFBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000547798413 430423856 /nfs/dbraw/zinc/42/38/56/430423856.db2.gz BOVQOYKHYHPGKF-OAHLLOKOSA-N 1 1 319.405 2.850 20 5 DFBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000569916377 430496988 /nfs/dbraw/zinc/49/69/88/430496988.db2.gz GGOJDWWXIKPXDO-LBPRGKRZSA-N 1 1 320.393 2.621 20 5 DFBDMO CC[C@@H]1C[N@@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000549639840 430528973 /nfs/dbraw/zinc/52/89/73/430528973.db2.gz QEHSAVJHWCKQIP-CYBMUJFWSA-N 1 1 300.362 2.673 20 5 DFBDMO C[C@H]1c2c(F)cccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570377984 430537268 /nfs/dbraw/zinc/53/72/68/430537268.db2.gz NZPVRINUBZVEJX-NSHDSACASA-N 1 1 304.325 2.550 20 5 DFBDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000570377984 430537272 /nfs/dbraw/zinc/53/72/72/430537272.db2.gz NZPVRINUBZVEJX-NSHDSACASA-N 1 1 304.325 2.550 20 5 DFBDMO CCCC[N@@H+](C)CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000554752515 430651557 /nfs/dbraw/zinc/65/15/57/430651557.db2.gz DEVWJRHLUAIKMP-UHFFFAOYSA-N 1 1 306.410 2.938 20 5 DFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCCC(C)(C)C ZINC000554846399 430654911 /nfs/dbraw/zinc/65/49/11/430654911.db2.gz VGMIHGFCTHOGNQ-UHFFFAOYSA-N 1 1 321.421 2.622 20 5 DFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCCC(C)(C)C ZINC000554846399 430654913 /nfs/dbraw/zinc/65/49/13/430654913.db2.gz VGMIHGFCTHOGNQ-UHFFFAOYSA-N 1 1 321.421 2.622 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](c4ccncc4)C3)nc2c1 ZINC000571176398 430610105 /nfs/dbraw/zinc/61/01/05/430610105.db2.gz VTLJGRWBFYTBAM-ZDUSSCGKSA-N 1 1 323.356 2.856 20 5 DFBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](c4ccncc4)C3)nc2c1 ZINC000571176398 430610108 /nfs/dbraw/zinc/61/01/08/430610108.db2.gz VTLJGRWBFYTBAM-ZDUSSCGKSA-N 1 1 323.356 2.856 20 5 DFBDMO COc1cccc(N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000274568096 278015641 /nfs/dbraw/zinc/01/56/41/278015641.db2.gz DBJCHTFXXJYOPE-UHFFFAOYSA-N 1 1 302.334 2.711 20 5 DFBDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370044570 278032586 /nfs/dbraw/zinc/03/25/86/278032586.db2.gz FBVKUARQRZSLAA-YPMHNXCESA-N 1 1 318.352 2.845 20 5 DFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000572451685 430687292 /nfs/dbraw/zinc/68/72/92/430687292.db2.gz SSBJDUJNJCUPOC-GFCCVEGCSA-N 1 1 317.393 2.782 20 5 DFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339098185 278259422 /nfs/dbraw/zinc/25/94/22/278259422.db2.gz OBDVIDQVFOYWIP-STQMWFEESA-N 1 1 320.393 2.837 20 5 DFBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000365545968 279379421 /nfs/dbraw/zinc/37/94/21/279379421.db2.gz LIVBBJGHASUHBA-JTQLQIEISA-N 1 1 322.315 2.991 20 5 DFBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000371826062 279384567 /nfs/dbraw/zinc/38/45/67/279384567.db2.gz CUALZLMOBIDHJY-CQSZACIVSA-N 1 1 318.352 2.675 20 5 DFBDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363171765 280018344 /nfs/dbraw/zinc/01/83/44/280018344.db2.gz CFWNFUHUOJEGQI-JSGCOSHPSA-N 1 1 300.362 2.706 20 5 DFBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000246731109 281008677 /nfs/dbraw/zinc/00/86/77/281008677.db2.gz MFFPVQKVFXAQOA-KGLIPLIRSA-N 1 1 319.405 2.753 20 5 DFBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000248833476 281257847 /nfs/dbraw/zinc/25/78/47/281257847.db2.gz MZVPPXHVWCWVFP-OCCSQVGLSA-N 1 1 319.405 2.753 20 5 DFBDMO CC(C)C[N@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363417081 289093077 /nfs/dbraw/zinc/09/30/77/289093077.db2.gz GKXJVQHTMJJTSA-UHFFFAOYSA-N 1 1 321.421 2.637 20 5 DFBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000294858404 295254196 /nfs/dbraw/zinc/25/41/96/295254196.db2.gz CVLBDOSFUHTHEJ-GFCCVEGCSA-N 1 1 305.378 2.524 20 5 DFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000247199906 297100157 /nfs/dbraw/zinc/10/01/57/297100157.db2.gz LOAXZBSFGYUDNC-PWSUYJOCSA-N 1 1 323.780 2.557 20 5 DFBDMO O=C1CCN1c1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000441194266 297174897 /nfs/dbraw/zinc/17/48/97/297174897.db2.gz FGENOPPJWROQHV-UHFFFAOYSA-N 1 1 317.370 2.683 20 5 DFBDMO CCc1nc(C(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000441243840 297177049 /nfs/dbraw/zinc/17/70/49/297177049.db2.gz JOXCNVJFNLRXOX-UHFFFAOYSA-N 1 1 304.350 2.608 20 5 DFBDMO CC[C@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000441499140 297185161 /nfs/dbraw/zinc/18/51/61/297185161.db2.gz GSQDRILYZBKCTR-GJZGRUSLSA-N 1 1 321.421 2.698 20 5 DFBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000442920995 297211013 /nfs/dbraw/zinc/21/10/13/297211013.db2.gz MIIDDAJVBCBEQD-ZDUSSCGKSA-N 1 1 307.394 2.554 20 5 DFBDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444637618 297242780 /nfs/dbraw/zinc/24/27/80/297242780.db2.gz ISKOWZAGGIATJY-CABCVRRESA-N 1 1 318.377 2.597 20 5 DFBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444637618 297242781 /nfs/dbraw/zinc/24/27/81/297242781.db2.gz ISKOWZAGGIATJY-CABCVRRESA-N 1 1 318.377 2.597 20 5 DFBDMO COc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC000449694895 297514569 /nfs/dbraw/zinc/51/45/69/297514569.db2.gz CRSVFSYKDJBWLR-UHFFFAOYSA-N 1 1 303.318 2.759 20 5 DFBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454321049 298155025 /nfs/dbraw/zinc/15/50/25/298155025.db2.gz JGRIMCPQPMLWCB-NSHDSACASA-N 1 1 324.356 2.682 20 5 DFBDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000515643223 300316343 /nfs/dbraw/zinc/31/63/43/300316343.db2.gz GZNHUDCOPPAAES-CABCVRRESA-N 1 1 320.389 2.994 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000533072532 301184934 /nfs/dbraw/zinc/18/49/34/301184934.db2.gz DNEXKFXCGOFIQA-UHFFFAOYSA-N 1 1 314.341 2.738 20 5 DFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000533072532 301184936 /nfs/dbraw/zinc/18/49/36/301184936.db2.gz DNEXKFXCGOFIQA-UHFFFAOYSA-N 1 1 314.341 2.738 20 5 DFBDMO C[C@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533295423 301194251 /nfs/dbraw/zinc/19/42/51/301194251.db2.gz ZHKRNPNMEZFUKS-QWRGUYRKSA-N 1 1 302.334 2.875 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533429471 301200793 /nfs/dbraw/zinc/20/07/93/301200793.db2.gz BWVSFYWPEVLCPJ-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533429471 301200796 /nfs/dbraw/zinc/20/07/96/301200796.db2.gz BWVSFYWPEVLCPJ-VXGBXAGGSA-N 1 1 321.377 2.662 20 5 DFBDMO COc1ccc(NC(=O)C[N@@H+](CC2CC2)C(C)C)c([N+](=O)[O-])c1 ZINC000533495648 301203720 /nfs/dbraw/zinc/20/37/20/301203720.db2.gz SCVNWJQIRPGITB-UHFFFAOYSA-N 1 1 321.377 2.662 20 5 DFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000408171909 301203954 /nfs/dbraw/zinc/20/39/54/301203954.db2.gz PIQZJNUGQXFYMD-KBPBESRZSA-N 1 1 304.394 2.527 20 5 DFBDMO CCOc1ccc([C@H](C)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536625687 301283848 /nfs/dbraw/zinc/28/38/48/301283848.db2.gz YGYUZRPLLAFTOU-KGLIPLIRSA-N 1 1 321.421 2.986 20 5 DFBDMO CCOc1ccc([C@H](C)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536625687 301283849 /nfs/dbraw/zinc/28/38/49/301283849.db2.gz YGYUZRPLLAFTOU-KGLIPLIRSA-N 1 1 321.421 2.986 20 5 DFBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000564325295 302129059 /nfs/dbraw/zinc/12/90/59/302129059.db2.gz LZVRNQNUYVYBAF-HNNXBMFYSA-N 1 1 319.405 2.641 20 5 DFBDMO C[C@@H](O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000564459153 302136417 /nfs/dbraw/zinc/13/64/17/302136417.db2.gz ODIJSPMXSCZLKD-BDJLRTHQSA-N 1 1 304.321 2.946 20 5 DFBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000565924408 302248759 /nfs/dbraw/zinc/24/87/59/302248759.db2.gz VLYCRGIUYYZCAR-LBPRGKRZSA-N 1 1 323.393 2.830 20 5 DFBDMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000566741633 302308674 /nfs/dbraw/zinc/30/86/74/302308674.db2.gz GLHOMXMUZFVFHX-GFCCVEGCSA-N 1 1 314.345 2.609 20 5 DFBDMO CCOC(=O)c1cc(N[C@@H]2CCC[N@@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000180424031 316033228 /nfs/dbraw/zinc/03/32/28/316033228.db2.gz MBJHSXHDRKPBSA-CYBMUJFWSA-N 1 1 321.377 2.668 20 5 DFBDMO COC(=O)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000181330831 316056524 /nfs/dbraw/zinc/05/65/24/316056524.db2.gz UIXXYZHQCBPSIG-UHFFFAOYSA-N 1 1 318.329 2.999 20 5 DFBDMO CCOC(=O)C[C@H](C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346348811 316318513 /nfs/dbraw/zinc/31/85/13/316318513.db2.gz YYQNVRZPZQYJSX-JWJUJFCLSA-N 1 1 306.362 2.882 20 5 DFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488060285 317363945 /nfs/dbraw/zinc/36/39/45/317363945.db2.gz WDQDGDTZHPBZGH-ZDUSSCGKSA-N 1 1 314.389 2.921 20 5 DFBDMO C[N@H+]1CC[C@@]2(CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000573535548 318020015 /nfs/dbraw/zinc/02/00/15/318020015.db2.gz NYBAECJEMZIMQP-QGZVFWFLSA-N 1 1 312.373 2.675 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000574623411 318029009 /nfs/dbraw/zinc/02/90/09/318029009.db2.gz POIQZSNGCNZJKX-OAHLLOKOSA-N 1 1 320.389 2.722 20 5 DFBDMO C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[N@@H+](C)C1CC1 ZINC000577391484 318190368 /nfs/dbraw/zinc/19/03/68/318190368.db2.gz RZHDWERDOUKGDG-LLVKDONJSA-N 1 1 304.394 2.763 20 5 DFBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000577815530 318218051 /nfs/dbraw/zinc/21/80/51/318218051.db2.gz XOCIJNJLGQCDEK-ZFWWWQNUSA-N 1 1 319.405 2.687 20 5 DFBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000578245732 318248469 /nfs/dbraw/zinc/24/84/69/318248469.db2.gz XIBFUIXWFCGDER-UHFFFAOYSA-N 1 1 309.366 2.662 20 5 DFBDMO CN(C)c1cccnc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580345563 323374303 /nfs/dbraw/zinc/37/43/03/323374303.db2.gz LUWOFDUTBFNJMT-CQSZACIVSA-N 1 1 312.373 2.833 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000580465410 323390718 /nfs/dbraw/zinc/39/07/18/323390718.db2.gz HPNJKMSTCCBXFR-ZMSDIMECSA-N 1 1 301.390 2.799 20 5 DFBDMO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000580465410 323390720 /nfs/dbraw/zinc/39/07/20/323390720.db2.gz HPNJKMSTCCBXFR-ZMSDIMECSA-N 1 1 301.390 2.799 20 5 DFBDMO CN(C)c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000268037600 500767283 /nfs/dbraw/zinc/76/72/83/500767283.db2.gz NSRYTGSSXJSGFZ-UHFFFAOYSA-N 1 1 314.345 2.627 20 5 DFBDMO COc1cc(C[N@@H+](C)C2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000305793769 533780421 /nfs/dbraw/zinc/78/04/21/533780421.db2.gz BROYCHKOGXGALA-UHFFFAOYSA-N 1 1 308.378 2.586 20 5 DFBDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331351052 534253325 /nfs/dbraw/zinc/25/33/25/534253325.db2.gz NZRLXCMOIGHUNY-NEPJUHHUSA-N 1 1 323.418 2.749 20 5 DFBDMO COc1c(C)cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000157904233 521792741 /nfs/dbraw/zinc/79/27/41/521792741.db2.gz QGAIEOCGEPLUFQ-UHFFFAOYSA-N 1 1 318.377 2.549 20 5 DFBDMO Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000154786638 525299936 /nfs/dbraw/zinc/29/99/36/525299936.db2.gz QNEOGCVJGXPSMF-YGRLFVJLSA-N 1 1 313.785 2.688 20 5 DFBDMO Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000154786638 525299943 /nfs/dbraw/zinc/29/99/43/525299943.db2.gz QNEOGCVJGXPSMF-YGRLFVJLSA-N 1 1 313.785 2.688 20 5 DFBDMO Cc1ccn(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000365058593 525588697 /nfs/dbraw/zinc/58/86/97/525588697.db2.gz NCNFMIQSWLVNCK-UHFFFAOYSA-N 1 1 306.391 2.998 20 5 DFBDMO Cc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n[nH]1 ZINC000364880796 526781825 /nfs/dbraw/zinc/78/18/25/526781825.db2.gz VZZBFMZBWVBWHN-UHFFFAOYSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1nnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)[nH]1 ZINC000364880796 526781829 /nfs/dbraw/zinc/78/18/29/526781829.db2.gz VZZBFMZBWVBWHN-UHFFFAOYSA-N 1 1 315.377 2.709 20 5 DFBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccccc1[N+](=O)[O-] ZINC000154579792 526971103 /nfs/dbraw/zinc/97/11/03/526971103.db2.gz FADQBQMYZPVMNP-UHFFFAOYSA-N 1 1 314.345 2.878 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000158050709 527391580 /nfs/dbraw/zinc/39/15/80/527391580.db2.gz JSWHMERNSHZZGD-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000158050709 527391586 /nfs/dbraw/zinc/39/15/86/527391586.db2.gz JSWHMERNSHZZGD-UHFFFAOYSA-N 1 1 306.362 2.619 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000365648510 527459891 /nfs/dbraw/zinc/45/98/91/527459891.db2.gz JRMHCUCSZWFVDL-GFCCVEGCSA-N 1 1 306.391 2.769 20 5 DFBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000365648510 527459896 /nfs/dbraw/zinc/45/98/96/527459896.db2.gz JRMHCUCSZWFVDL-GFCCVEGCSA-N 1 1 306.391 2.769 20 5 DFBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000292650607 528357720 /nfs/dbraw/zinc/35/77/20/528357720.db2.gz LAISFRVSLFKDRW-NSHDSACASA-N 1 1 311.357 2.584 20 5 DFBDMO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330713881 528422912 /nfs/dbraw/zinc/42/29/12/528422912.db2.gz ABKWFPBJDQQIFJ-KBPBESRZSA-N 1 1 319.405 2.955 20 5 DFBDMO CC(C)C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000354670419 535327899 /nfs/dbraw/zinc/32/78/99/535327899.db2.gz BYXISGDZSFUTEO-GDBMZVCRSA-N 1 1 322.405 2.845 20 5 DFBDMO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc2[nH+]c(C)cn2c1 ZINC000360995570 535970884 /nfs/dbraw/zinc/97/08/84/535970884.db2.gz OKXZAYCQZFMZME-UHFFFAOYSA-N 1 1 300.322 2.819 20 5 DFBDMO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000354512686 536132039 /nfs/dbraw/zinc/13/20/39/536132039.db2.gz TUDKIKMOCICJAZ-ZDUSSCGKSA-N 1 1 321.768 2.753 20 5 DFBDMO COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245534656 536566872 /nfs/dbraw/zinc/56/68/72/536566872.db2.gz WEEVFMMIGDYVDV-LRDDRELGSA-N 1 1 306.362 2.849 20 5 DFBDMO